*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   25-APR-02   1LKN              
*TITLE     SOLUTION STRUCTURE OF HYPOTHETICAL PROTEIN TM1112                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN TM1112;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA;                            
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: TM1112;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21DE3(MAGIC GOLD);                       
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    BETA BARREL, STRUCTURAL GENOMICS                                      
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.XIA, A.YEE, A.SEMESI, C.H.ARROWSMITH                                
*REVDAT   1   24-JUN-03 1LKN    0                                                

assi (((resi 1 and name HA))
   and bondedto
   ((resi 1 and name CA)))
   ((resi 1 and name HB#))  6.0 0.1 0.1
    peak 8  ppm1  4.48 ppm2  2.02 volume   1.07e+09 { 8 }
assi (((resi 1 and name HA))
   and bondedto
   ((resi 1 and name CA)))
   ((resi 1 and name HG1))  6.0 0.1 0.1
    peak 9  ppm1  4.48 ppm2  2.31 volume   3.27e+08 { 9 }
assi (((resi 1 and name HA))
   and bondedto
   ((resi 1 and name CA)))
   ((resi 1 and name HG2))  6.0 0.1 0.1
    peak 10  ppm1  4.48 ppm2  2.55 volume   1.03e+07 { 10 }
assi (((resi 1 and name HA))
   and bondedto
   ((resi 1 and name CA)))
   ((resi 2 and name HN))  6.0 0.1 0.1
    peak 11  ppm1  4.48 ppm2  7.97 volume   2.56e+07 { 11 }
assi (((resi 1 and name HB#))
   and bondedto
   ((resi 1 and name CB)))
   ((resi 1 and name HA))  6.0 0.1 0.1
    peak 12  ppm1  2.00 ppm2  4.46 volume   1.71e+08 { 12 }
assi (((resi 1 and name HB#))
   and bondedto
   ((resi 1 and name CB)))
   ((resi 1 and name HG1))  6.0 0.1 0.1
    peak 13  ppm1  2.01 ppm2  2.31 volume   1.36e+09 { 13 }
assi (((resi 1 and name HB#))
   and bondedto
   ((resi 1 and name CB)))
   ((resi 1 and name HG2))  6.0 0.1 0.1
    peak 14  ppm1  2.01 ppm2  2.55 volume   1.08e+09 { 14 }
assi (((resi 1 and name HG1))
   and bondedto
   ((resi 1 and name CG)))
   ((resi 1 and name HA))  6.0 0.1 0.1
    peak 15  ppm1  2.30 ppm2  4.49 volume   4.64e+08 { 15 }
assi (((resi 1 and name HG2))
   and bondedto
   ((resi 1 and name CG)))
   ((resi 1 and name HA))  6.0 0.1 0.1
    peak 16  ppm1  2.55 ppm2  4.50 volume   2.84e+08 { 16 }
assi (((resi 1 and name HG1))
   and bondedto
   ((resi 1 and name CG)))
   ((resi 1 and name HB#))  6.0 0.1 0.1
    peak 17  ppm1  2.31 ppm2  2.01 volume   1.27e+09 { 17 }
assi (((resi 1 and name HG2))
   and bondedto
   ((resi 1 and name CG)))
   ((resi 1 and name HB#))  6.0 0.1 0.1
    peak 18  ppm1  2.55 ppm2  2.00 volume   1.13e+09 { 18 }
assi (((resi 1 and name HG2))
   and bondedto
   ((resi 1 and name CG)))
   ((resi 1 and name HG1))  6.0 0.1 0.1
    peak 19  ppm1  2.56 ppm2  2.32 volume   1.80e+09 { 19 }
assi (((resi 1 and name HG1))
   and bondedto
   ((resi 1 and name CG)))
   ((resi 1 and name HG2))  6.0 0.1 0.1
    peak 20  ppm1  2.31 ppm2  2.55 volume   2.59e+09 { 20 }
assi (((resi 2 and name HA))
   and bondedto
   ((resi 2 and name CA)))
   ((resi 2 and name HN))  6.0 0.1 0.1
    peak 21  ppm1  4.40 ppm2  8.00 volume   7.00e+06 { 21 }
assi (((resi 2 and name HA))
   and bondedto
   ((resi 2 and name CA)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 22  ppm1  4.40 ppm2  0.48 volume   1.45e+07 { 22 }
assi (((resi 2 and name HA))
   and bondedto
   ((resi 2 and name CA)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 23  ppm1  4.40 ppm2  6.95 volume   8.07e+07 { 23 }
assi (((resi 2 and name HB1))
   and bondedto
   ((resi 2 and name CB)))
   ((resi 2 and name HA))  6.0 0.1 0.1
    peak 24  ppm1  2.00 ppm2  4.43 volume   4.74e+08 { 24 }
assi (((resi 2 and name HB2))
   and bondedto
   ((resi 2 and name CB)))
   ((resi 2 and name HA))  6.0 0.1 0.1
    peak 25  ppm1  1.85 ppm2  4.41 volume   5.41e+08 { 25 }
assi (((resi 2 and name HB1))
   and bondedto
   ((resi 2 and name CB)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 26  ppm1  1.99 ppm2  6.95 volume   7.98e+06 { 26 }
assi (((resi 2 and name HB2))
   and bondedto
   ((resi 2 and name CB)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 27  ppm1  1.84 ppm2  6.95 volume   6.90e+06 { 27 }
assi (((resi 2 and name HG1))
   and bondedto
   ((resi 2 and name CG)))
   ((resi 2 and name HA))  6.0 0.1 0.1
    peak 28  ppm1  2.26 ppm2  4.42 volume   1.71e+08 { 28 }
assi (((resi 2 and name HG2))
   and bondedto
   ((resi 2 and name CG)))
   ((resi 2 and name HA))  6.0 0.1 0.1
    peak 29  ppm1  2.17 ppm2  4.41 volume   1.55e+08 { 29 }
assi (((resi 2 and name HG1))
   and bondedto
   ((resi 2 and name CG)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 30  ppm1  2.23 ppm2  6.95 volume   4.57e+07 { 30 }
assi (((resi 2 and name HG2))
   and bondedto
   ((resi 2 and name CG)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 31  ppm1  2.16 ppm2  6.96 volume   5.38e+07 { 31 }
assi (((resi 3 and name HA))
   and bondedto
   ((resi 3 and name CA)))
   ((resi 3 and name HB))  6.0 0.1 0.1
    peak 32  ppm1  3.68 ppm2  0.41 volume   1.52e+07 { 32 }
assi (((resi 3 and name HA))
   and bondedto
   ((resi 3 and name CA)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 33  ppm1  3.69 ppm2  0.52 volume   2.69e+07 { 33 }
assi (((resi 3 and name HA))
   and bondedto
   ((resi 3 and name CA)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 34  ppm1  3.69 ppm2 -0.18 volume   3.50e+07 { 34 }
assi (((resi 3 and name HA))
   and bondedto
   ((resi 3 and name CA)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 35  ppm1  3.68 ppm2  6.95 volume   1.24e+07 { 35 }
assi (((resi 3 and name HA))
   and bondedto
   ((resi 3 and name CA)))
   ((resi 4 and name HA))  6.0 0.1 0.1
    peak 36  ppm1  3.68 ppm2  4.48 volume   1.22e+07 { 36 }
assi (((resi 3 and name HA))
   and bondedto
   ((resi 3 and name CA)))
   ((resi 4 and name HD#))  6.0 0.1 0.1
    peak 37  ppm1  3.67 ppm2  1.60 volume   6.48e+07 { 37 }
assi (((resi 3 and name HA))
   and bondedto
   ((resi 3 and name CA)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 38  ppm1  3.69 ppm2  7.69 volume   5.17e+07 { 38 }
assi (((resi 3 and name HB))
   and bondedto
   ((resi 3 and name CB)))
   ((resi 2 and name HA))  6.0 0.1 0.1
    peak 39  ppm1  0.41 ppm2  4.41 volume   5.78e+06 { 39 }
assi (((resi 3 and name HB))
   and bondedto
   ((resi 3 and name CB)))
   ((resi 3 and name HA))  6.0 0.1 0.1
    peak 40  ppm1  0.42 ppm2  3.70 volume   5.36e+06 { 40 }
assi (((resi 3 and name HB))
   and bondedto
   ((resi 3 and name CB)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 41  ppm1  0.42 ppm2 -0.18 volume   3.13e+07 { 41 }
assi (((resi 3 and name HB))
   and bondedto
   ((resi 3 and name CB)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 42  ppm1  0.42 ppm2  6.95 volume   2.33e+07 { 42 }
assi (((resi 3 and name HB))
   and bondedto
   ((resi 3 and name CB)))
   ((resi 56 and name HB1))  6.0 0.1 0.1
    peak 43  ppm1  0.42 ppm2  1.93 volume   4.20e+06 { 43 }
assi (((resi 3 and name HB))
   and bondedto
   ((resi 3 and name CB)))
   ((resi 56 and name HB2))  6.0 0.1 0.1
    peak 44  ppm1  0.42 ppm2  1.58 volume   4.23e+06 { 44 }
assi (((resi 3 and name HB))
   and bondedto
   ((resi 3 and name CB)))
   ((resi 66 and name HG1#))  6.0 0.1 0.1
    peak 45  ppm1  0.42 ppm2  0.82 volume   6.11e+07 { 45 }
assi (((resi 3 and name HB))
   and bondedto
   ((resi 3 and name CB)))
   ((resi 68 and name HE#))  6.0 0.1 0.1
    peak 46  ppm1  0.41 ppm2  6.81 volume   7.13e+06 { 46 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 2 and name HA))  6.0 0.1 0.1
    peak 47  ppm1  0.49 ppm2  4.43 volume   1.46e+07 { 47 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 3 and name HA))  6.0 0.1 0.1
    peak 48  ppm1  0.50 ppm2  3.69 volume   4.69e+07 { 48 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 49  ppm1  0.50 ppm2 -0.19 volume   1.86e+09 { 49 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 50  ppm1  0.50 ppm2  6.95 volume   7.40e+07 { 50 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 51  ppm1  0.50 ppm2  7.68 volume   1.21e+07 { 51 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 56 and name HB2))  6.0 0.1 0.1
    peak 52  ppm1  0.50 ppm2  1.57 volume   3.21e+07 { 52 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 58 and name HE#))  6.0 0.1 0.1
    peak 53  ppm1  0.50 ppm2  6.81 volume   2.72e+07 { 53 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 67 and name HG2#))  6.0 0.1 0.1
    peak 54  ppm1  0.50 ppm2  1.16 volume   2.83e+08 { 54 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 68 and name HA))  6.0 0.1 0.1
    peak 55  ppm1  0.50 ppm2  4.52 volume   1.51e+07 { 55 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 68 and name HD#))  6.0 0.1 0.1
    peak 56  ppm1  0.50 ppm2  6.71 volume   2.43e+07 { 56 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 57  ppm1  0.51 ppm2  3.50 volume   1.16e+07 { 57 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 69 and name HG1))  6.0 0.1 0.1
    peak 58  ppm1  0.50 ppm2  1.88 volume   1.07e+07 { 58 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 69 and name HG2))  6.0 0.1 0.1
    peak 59  ppm1  0.50 ppm2  2.11 volume   6.74e+06 { 59 }
assi (((resi 3 and name HG1#))
   and bondedto
   ((resi 3 and name CG1)))
   ((resi 72 and name HG))  6.0 0.1 0.1
    peak 60  ppm1  0.50 ppm2  0.99 volume   9.30e+08 { 60 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 3 and name HA))  6.0 0.1 0.1
    peak 61  ppm1 -0.18 ppm2  3.69 volume   3.56e+07 { 61 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 62  ppm1 -0.18 ppm2  0.48 volume   2.61e+09 { 62 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 63  ppm1 -0.18 ppm2  6.95 volume   3.24e+07 { 63 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 4 and name HG2))  6.0 0.1 0.1
    peak 64  ppm1 -0.18 ppm2  1.31 volume   3.97e+08 { 64 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 65  ppm1 -0.18 ppm2  7.68 volume   2.39e+07 { 65 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 52 and name HG2#))  6.0 0.1 0.1
    peak 66  ppm1 -0.18 ppm2  1.59 volume   2.94e+08 { 66 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 66 and name HB))  6.0 0.1 0.1
    peak 67  ppm1 -0.18 ppm2  2.04 volume   6.70e+06 { 67 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 66 and name HG1#))  6.0 0.1 0.1
    peak 68  ppm1 -0.18 ppm2  0.81 volume   9.92e+08 { 68 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 67 and name HN))  6.0 0.1 0.1
    peak 69  ppm1 -0.18 ppm2  8.93 volume   1.83e+07 { 69 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 68 and name HA))  6.0 0.1 0.1
    peak 70  ppm1 -0.18 ppm2  4.52 volume   9.84e+06 { 70 }
assi (((resi 3 and name HG2#))
   and bondedto
   ((resi 3 and name CG2)))
   ((resi 68 and name HD#))  6.0 0.1 0.1
    peak 71  ppm1 -0.18 ppm2  6.71 volume   9.31e+06 { 71 }
assi (((resi 4 and name HA))
   and bondedto
   ((resi 4 and name CA)))
   ((resi 4 and name HD#))  6.0 0.1 0.1
    peak 72  ppm1  4.46 ppm2  1.60 volume   1.77e+08 { 72 }
assi (((resi 4 and name HA))
   and bondedto
   ((resi 4 and name CA)))
   ((resi 4 and name HG2))  6.0 0.1 0.1
    peak 73  ppm1  4.46 ppm2  1.33 volume   7.67e+07 { 73 }
assi (((resi 4 and name HA))
   and bondedto
   ((resi 4 and name CA)))
   ((resi 5 and name HD1#))  6.0 0.1 0.1
    peak 74  ppm1  4.45 ppm2  0.81 volume   1.68e+07 { 74 }
assi (((resi 4 and name HA))
   and bondedto
   ((resi 4 and name CA)))
   ((resi 5 and name HN))  6.0 0.1 0.1
    peak 75  ppm1  4.45 ppm2  8.40 volume   1.69e+08 { 75 }
assi (((resi 4 and name HB1))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 4 and name HA))  6.0 0.1 0.1
    peak 76  ppm1  1.61 ppm2  4.46 volume   1.79e+07 { 76 }
assi (((resi 4 and name HB2))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 4 and name HA))  6.0 0.1 0.1
    peak 77  ppm1  1.75 ppm2  4.46 volume   1.84e+07 { 77 }
assi (((resi 4 and name HB2))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 4 and name HB1))  6.0 0.1 0.1
    peak 78  ppm1  1.74 ppm2  1.62 volume   1.07e+09 { 78 }
assi (((resi 4 and name HB1))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 4 and name HB2))  6.0 0.1 0.1
    peak 79  ppm1  1.61 ppm2  1.73 volume   7.47e+08 { 79 }
assi (((resi 4 and name HB2))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 4 and name HE#))  6.0 0.1 0.1
    peak 80  ppm1  1.75 ppm2  2.91 volume   7.04e+06 { 80 }
assi (((resi 4 and name HB2))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 4 and name HG2))  6.0 0.1 0.1
    peak 81  ppm1  1.74 ppm2  1.33 volume   8.44e+08 { 81 }
assi (((resi 4 and name HB1))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 82  ppm1  1.60 ppm2  7.68 volume   1.10e+07 { 82 }
assi (((resi 4 and name HB2))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 83  ppm1  1.75 ppm2  7.69 volume   1.06e+07 { 83 }
assi (((resi 4 and name HB1))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 5 and name HG11))  6.0 0.1 0.1
    peak 84  ppm1  1.61 ppm2  1.34 volume   1.42e+09 { 84 }
assi (((resi 4 and name HB1))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 67 and name HB))  6.0 0.1 0.1
    peak 85  ppm1  1.61 ppm2  3.84 volume   1.11e+07 { 85 }
assi (((resi 4 and name HB2))
   and bondedto
   ((resi 4 and name CB)))
   ((resi 67 and name HB))  6.0 0.1 0.1
    peak 86  ppm1  1.75 ppm2  3.84 volume   1.50e+07 { 86 }
assi (((resi 4 and name HD#))
   and bondedto
   ((resi 4 and name CD)))
   ((resi 4 and name HA))  6.0 0.1 0.1
    peak 87  ppm1  1.60 ppm2  4.46 volume   1.11e+07 { 87 }
assi (((resi 4 and name HD#))
   and bondedto
   ((resi 4 and name CD)))
   ((resi 4 and name HE#))  6.0 0.1 0.1
    peak 88  ppm1  1.60 ppm2  2.88 volume   3.91e+07 { 88 }
assi (((resi 4 and name HD#))
   and bondedto
   ((resi 4 and name CD)))
   ((resi 5 and name HD1#))  6.0 0.1 0.1
    peak 89  ppm1  1.62 ppm2  0.82 volume   2.28e+08 { 89 }
assi (((resi 4 and name HG1))
   and bondedto
   ((resi 4 and name CG)))
   ((resi 4 and name HE#))  6.0 0.1 0.1
    peak 90  ppm1  1.39 ppm2  2.88 volume   1.04e+07 { 90 }
assi (((resi 4 and name HG2))
   and bondedto
   ((resi 4 and name CG)))
   ((resi 4 and name HE#))  6.0 0.1 0.1
    peak 91  ppm1  1.30 ppm2  2.88 volume   9.07e+06 { 91 }
assi (((resi 4 and name HG1))
   and bondedto
   ((resi 4 and name CG)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 92  ppm1  1.40 ppm2  7.66 volume   2.08e+07 { 92 }
assi (((resi 4 and name HG2))
   and bondedto
   ((resi 4 and name CG)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 93  ppm1  1.28 ppm2  7.66 volume   6.21e+06 { 93 }
assi (((resi 4 and name HG1))
   and bondedto
   ((resi 4 and name CG)))
   ((resi 66 and name HG1#))  6.0 0.1 0.1
    peak 94  ppm1  1.40 ppm2  0.76 volume   3.62e+08 { 94 }
assi (((resi 4 and name HG2))
   and bondedto
   ((resi 4 and name CG)))
   ((resi 66 and name HG1#))  6.0 0.1 0.1
    peak 95  ppm1  1.29 ppm2  0.76 volume   2.25e+08 { 95 }
assi (((resi 5 and name HA))
   and bondedto
   ((resi 5 and name CA)))
   ((resi 5 and name HB))  6.0 0.1 0.1
    peak 96  ppm1  4.55 ppm2  1.59 volume   4.45e+08 { 96 }
assi (((resi 5 and name HA))
   and bondedto
   ((resi 5 and name CA)))
   ((resi 5 and name HD1#))  6.0 0.1 0.1
    peak 97  ppm1  4.55 ppm2  0.81 volume   1.24e+09 { 97 }
assi (((resi 5 and name HA))
   and bondedto
   ((resi 5 and name CA)))
   ((resi 5 and name HG11))  6.0 0.1 0.1
    peak 98  ppm1  4.55 ppm2  1.32 volume   2.44e+08 { 98 }
assi (((resi 5 and name HA))
   and bondedto
   ((resi 5 and name CA)))
   ((resi 5 and name HG12))  6.0 0.1 0.1
    peak 99  ppm1  4.55 ppm2  0.67 volume   5.95e+08 { 99 }
assi (((resi 5 and name HA))
   and bondedto
   ((resi 5 and name CA)))
   ((resi 5 and name HN))  6.0 0.1 0.1
    peak 100  ppm1  4.55 ppm2  8.39 volume   5.61e+07 { 100 }
assi (((resi 5 and name HA))
   and bondedto
   ((resi 5 and name CA)))
   ((resi 6 and name HA))  6.0 0.1 0.1
    peak 101  ppm1  4.55 ppm2  4.78 volume   1.48e+08 { 101 }
assi (((resi 5 and name HA))
   and bondedto
   ((resi 5 and name CA)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 102  ppm1  4.55 ppm2  9.17 volume   4.54e+07 { 102 }
assi (((resi 5 and name HA))
   and bondedto
   ((resi 5 and name CA)))
   ((resi 66 and name HA))  6.0 0.1 0.1
    peak 103  ppm1  4.55 ppm2  5.05 volume   3.54e+08 { 103 }
assi (((resi 5 and name HB))
   and bondedto
   ((resi 5 and name CB)))
   ((resi 5 and name HN))  6.0 0.1 0.1
    peak 104  ppm1  1.61 ppm2  8.40 volume   1.44e+07 { 104 }
assi (((resi 5 and name HB))
   and bondedto
   ((resi 5 and name CB)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 105  ppm1  1.61 ppm2  9.17 volume   2.84e+07 { 105 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 3 and name HB))  6.0 0.1 0.1
    peak 106  ppm1  0.81 ppm2  0.42 volume   2.85e+07 { 106 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 107  ppm1  0.82 ppm2 -0.18 volume   7.42e+06 { 107 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 108  ppm1  0.81 ppm2 -0.19 volume   3.68e+07 { 108 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 5 and name HB))  6.0 0.1 0.1
    peak 109  ppm1  0.82 ppm2  1.60 volume   6.82e+07 { 109 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 5 and name HG11))  6.0 0.1 0.1
    peak 110  ppm1  0.81 ppm2  1.30 volume   8.64e+07 { 110 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 5 and name HN))  6.0 0.1 0.1
    peak 111  ppm1  0.81 ppm2  8.40 volume   8.96e+06 { 111 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 112  ppm1  0.81 ppm2  9.17 volume   3.43e+06 { 112 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 58 and name HB1))  6.0 0.1 0.1
    peak 113  ppm1  0.82 ppm2  2.75 volume   3.28e+07 { 113 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 58 and name HB2))  6.0 0.1 0.1
    peak 114  ppm1  0.81 ppm2  2.50 volume   1.80e+07 { 114 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 115  ppm1  0.81 ppm2  6.96 volume   4.65e+07 { 115 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 58 and name HE#))  6.0 0.1 0.1
    peak 116  ppm1  0.82 ppm2  6.81 volume   1.14e+07 { 116 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 59 and name HN))  6.0 0.1 0.1
    peak 117  ppm1  0.81 ppm2  8.54 volume   6.56e+06 { 117 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 60 and name HA))  6.0 0.1 0.1
    peak 118  ppm1  0.81 ppm2  4.62 volume   1.75e+07 { 118 }
assi (((resi 5 and name HD1#))
   and bondedto
   ((resi 5 and name CD1)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 119  ppm1  0.81 ppm2 -0.01 volume   1.94e+07 { 119 }
assi (((resi 5 and name HG11))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 120  ppm1  1.32 ppm2 -0.19 volume   1.04e+08 { 120 }
assi (((resi 5 and name HG12))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 121  ppm1  0.67 ppm2 -0.18 volume   7.37e+07 { 121 }
assi (((resi 5 and name HG11))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HA))  6.0 0.1 0.1
    peak 122  ppm1  1.31 ppm2  4.55 volume   1.05e+08 { 122 }
assi (((resi 5 and name HG12))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HA))  6.0 0.1 0.1
    peak 123  ppm1  0.67 ppm2  4.55 volume   7.68e+07 { 123 }
assi (((resi 5 and name HG11))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HB))  6.0 0.1 0.1
    peak 124  ppm1  1.31 ppm2  1.61 volume   2.16e+08 { 124 }
assi (((resi 5 and name HG12))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HB))  6.0 0.1 0.1
    peak 125  ppm1  0.64 ppm2  1.62 volume   1.70e+08 { 125 }
assi (((resi 5 and name HG11))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HD1#))  6.0 0.1 0.1
    peak 126  ppm1  1.31 ppm2  0.81 volume   5.23e+08 { 126 }
assi (((resi 5 and name HG12))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HD1#))  6.0 0.1 0.1
    peak 127  ppm1  0.67 ppm2  0.81 volume   3.93e+08 { 127 }
assi (((resi 5 and name HG12))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HG11))  6.0 0.1 0.1
    peak 128  ppm1  0.67 ppm2  1.31 volume   3.16e+08 { 128 }
assi (((resi 5 and name HG11))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HG12))  6.0 0.1 0.1
    peak 129  ppm1  1.31 ppm2  0.67 volume   4.54e+08 { 129 }
assi (((resi 5 and name HG11))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 5 and name HN))  6.0 0.1 0.1
    peak 130  ppm1  1.31 ppm2  8.40 volume   4.39e+07 { 130 }
assi (((resi 5 and name HG11))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 131  ppm1  1.31 ppm2 -0.01 volume   7.48e+07 { 131 }
assi (((resi 5 and name HG12))
   and bondedto
   ((resi 5 and name CG1)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 132  ppm1  0.68 ppm2 -0.01 volume   7.38e+07 { 132 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 5 and name HA))  6.0 0.1 0.1
    peak 133  ppm1  0.82 ppm2  4.56 volume   5.38e+07 { 133 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 5 and name HB))  6.0 0.1 0.1
    peak 134  ppm1  0.82 ppm2  1.60 volume   3.06e+09 { 134 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 5 and name HG11))  6.0 0.1 0.1
    peak 135  ppm1  0.82 ppm2  1.30 volume   7.39e+08 { 135 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 5 and name HN))  6.0 0.1 0.1
    peak 136  ppm1  0.82 ppm2  8.39 volume   1.04e+07 { 136 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 6 and name HA))  6.0 0.1 0.1
    peak 137  ppm1  0.82 ppm2  4.77 volume   1.33e+07 { 137 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 6 and name HG1))  6.0 0.1 0.1
    peak 138  ppm1  0.82 ppm2  2.05 volume   6.19e+08 { 138 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 139  ppm1  0.82 ppm2  9.17 volume   5.11e+07 { 139 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 7 and name HE2))  6.0 0.1 0.1
    peak 140  ppm1  0.82 ppm2  2.96 volume   6.42e+06 { 140 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 64 and name HB1))  6.0 0.1 0.1
    peak 141  ppm1  0.82 ppm2  2.29 volume   5.56e+08 { 141 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 64 and name HB2))  6.0 0.1 0.1
    peak 142  ppm1  0.82 ppm2  2.78 volume   2.32e+07 { 142 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 66 and name HA))  6.0 0.1 0.1
    peak 143  ppm1  0.82 ppm2  5.08 volume   2.19e+07 { 143 }
assi (((resi 5 and name HG2#))
   and bondedto
   ((resi 5 and name CG2)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 144  ppm1  0.82 ppm2 -0.02 volume   1.30e+07 { 144 }
assi (((resi 6 and name HB#))
   and bondedto
   ((resi 6 and name CB)))
   ((resi 6 and name HA))  6.0 0.1 0.1
    peak 145  ppm1  2.05 ppm2  4.80 volume   8.92e+08 { 145 }
assi (((resi 6 and name HB#))
   and bondedto
   ((resi 6 and name CB)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 146  ppm1  2.06 ppm2  9.17 volume   1.54e+07 { 146 }
assi (((resi 6 and name HB#))
   and bondedto
   ((resi 6 and name CB)))
   ((resi 7 and name HN))  6.0 0.1 0.1
    peak 147  ppm1  2.06 ppm2  8.62 volume   7.35e+06 { 147 }
assi (((resi 6 and name HB#))
   and bondedto
   ((resi 6 and name CB)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 148  ppm1  2.06 ppm2  4.50 volume   3.53e+07 { 148 }
assi (((resi 6 and name HG1))
   and bondedto
   ((resi 6 and name CG)))
   ((resi 6 and name HA))  6.0 0.1 0.1
    peak 149  ppm1  2.05 ppm2  4.79 volume   9.38e+07 { 149 }
assi (((resi 6 and name HG1))
   and bondedto
   ((resi 6 and name CG)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 150  ppm1  2.04 ppm2  9.17 volume   6.94e+07 { 150 }
assi (((resi 6 and name HG2))
   and bondedto
   ((resi 6 and name CG)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 151  ppm1  2.17 ppm2  9.17 volume   5.52e+07 { 151 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 6 and name HB#))  6.0 0.1 0.1
    peak 152  ppm1  5.36 ppm2  2.05 volume   1.76e+07 { 152 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 153  ppm1  5.35 ppm2  9.16 volume   8.79e+06 { 153 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 7 and name HB#))  6.0 0.1 0.1
    peak 154  ppm1  5.36 ppm2  1.87 volume   4.72e+07 { 154 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 7 and name HG1))  6.0 0.1 0.1
    peak 155  ppm1  5.35 ppm2  1.46 volume   6.34e+07 { 155 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 7 and name HG2))  6.0 0.1 0.1
    peak 156  ppm1  5.35 ppm2  1.58 volume   1.55e+07 { 156 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 7 and name HN))  6.0 0.1 0.1
    peak 157  ppm1  5.36 ppm2  8.62 volume   5.40e+06 { 157 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 8 and name HD1))  6.0 0.1 0.1
    peak 158  ppm1  5.35 ppm2  3.95 volume   3.05e+07 { 158 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 159  ppm1  5.35 ppm2  4.50 volume   1.11e+09 { 159 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 64 and name HA))  6.0 0.1 0.1
    peak 160  ppm1  5.36 ppm2  5.09 volume   1.03e+07 { 160 }
assi (((resi 7 and name HA))
   and bondedto
   ((resi 7 and name CA)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 161  ppm1  5.36 ppm2  1.15 volume   3.32e+07 { 161 }
assi (((resi 7 and name HB#))
   and bondedto
   ((resi 7 and name CB)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 162  ppm1  1.88 ppm2  5.35 volume   2.57e+07 { 162 }
assi (((resi 7 and name HB#))
   and bondedto
   ((resi 7 and name CB)))
   ((resi 7 and name HG1))  6.0 0.1 0.1
    peak 163  ppm1  1.88 ppm2  1.46 volume   1.48e+09 { 163 }
assi (((resi 7 and name HB#))
   and bondedto
   ((resi 7 and name CB)))
   ((resi 7 and name HG2))  6.0 0.1 0.1
    peak 164  ppm1  1.88 ppm2  1.60 volume   4.64e+08 { 164 }
assi (((resi 7 and name HB#))
   and bondedto
   ((resi 7 and name CB)))
   ((resi 7 and name HN))  6.0 0.1 0.1
    peak 165  ppm1  1.88 ppm2  8.59 volume   1.07e+07 { 165 }
assi (((resi 7 and name HB#))
   and bondedto
   ((resi 7 and name CB)))
   ((resi 8 and name HD1))  6.0 0.1 0.1
    peak 166  ppm1  1.88 ppm2  3.96 volume   8.47e+08 { 166 }
assi (((resi 7 and name HD1))
   and bondedto
   ((resi 7 and name CD)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 167  ppm1  1.72 ppm2  5.33 volume   6.17e+07 { 167 }
assi (((resi 7 and name HD2))
   and bondedto
   ((resi 7 and name CD)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 168  ppm1  1.86 ppm2  5.33 volume   1.22e+08 { 168 }
assi (((resi 7 and name HG1))
   and bondedto
   ((resi 7 and name CG)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 169  ppm1  1.47 ppm2  5.36 volume   8.48e+06 { 169 }
assi (((resi 7 and name HG2))
   and bondedto
   ((resi 7 and name CG)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 170  ppm1  1.57 ppm2  5.36 volume   8.10e+06 { 170 }
assi (((resi 7 and name HG1))
   and bondedto
   ((resi 7 and name CG)))
   ((resi 7 and name HB#))  6.0 0.1 0.1
    peak 171  ppm1  1.47 ppm2  1.86 volume   5.81e+08 { 171 }
assi (((resi 7 and name HG2))
   and bondedto
   ((resi 7 and name CG)))
   ((resi 7 and name HB#))  6.0 0.1 0.1
    peak 172  ppm1  1.57 ppm2  1.85 volume   5.68e+08 { 172 }
assi (((resi 7 and name HG1))
   and bondedto
   ((resi 7 and name CG)))
   ((resi 7 and name HE2))  6.0 0.1 0.1
    peak 173  ppm1  1.47 ppm2  2.97 volume   1.12e+07 { 173 }
assi (((resi 7 and name HG2))
   and bondedto
   ((resi 7 and name CG)))
   ((resi 7 and name HE2))  6.0 0.1 0.1
    peak 174  ppm1  1.57 ppm2  2.99 volume   8.43e+06 { 174 }
assi (((resi 8 and name HB1))
   and bondedto
   ((resi 8 and name CB)))
   ((resi 8 and name HA))  6.0 0.1 0.1
    peak 175  ppm1  2.04 ppm2  4.79 volume   1.51e+08 { 175 }
assi (((resi 8 and name HB2))
   and bondedto
   ((resi 8 and name CB)))
   ((resi 8 and name HA))  6.0 0.1 0.1
    peak 176  ppm1  1.95 ppm2  4.79 volume   2.18e+08 { 176 }
assi (((resi 8 and name HB1))
   and bondedto
   ((resi 8 and name CB)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 177  ppm1  2.05 ppm2  7.82 volume   5.87e+06 { 177 }
assi (((resi 8 and name HB2))
   and bondedto
   ((resi 8 and name CB)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 178  ppm1  1.95 ppm2  7.82 volume   7.95e+06 { 178 }
assi (((resi 8 and name HB1))
   and bondedto
   ((resi 8 and name CB)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 179  ppm1  2.05 ppm2  0.44 volume   1.07e+07 { 179 }
assi (((resi 8 and name HB2))
   and bondedto
   ((resi 8 and name CB)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 180  ppm1  1.96 ppm2  0.44 volume   5.17e+07 { 180 }
assi (((resi 8 and name HB1))
   and bondedto
   ((resi 8 and name CB)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 181  ppm1  2.05 ppm2  0.06 volume   3.66e+07 { 181 }
assi (((resi 8 and name HB2))
   and bondedto
   ((resi 8 and name CB)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 182  ppm1  1.96 ppm2  0.06 volume   3.68e+07 { 182 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 183  ppm1  3.94 ppm2  9.16 volume   1.22e+07 { 183 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 184  ppm1  3.94 ppm2  5.36 volume   2.98e+07 { 184 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 185  ppm1  4.50 ppm2  5.36 volume   4.61e+07 { 185 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 8 and name HD1))  6.0 0.1 0.1
    peak 186  ppm1  4.50 ppm2  3.95 volume   1.34e+09 { 186 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 187  ppm1  3.94 ppm2  4.50 volume   4.91e+07 { 187 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 8 and name HG1))  6.0 0.1 0.1
    peak 188  ppm1  3.95 ppm2  2.05 volume   3.13e+07 { 188 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 8 and name HG1))  6.0 0.1 0.1
    peak 189  ppm1  4.49 ppm2  2.06 volume   1.23e+09 { 189 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 8 and name HG2))  6.0 0.1 0.1
    peak 190  ppm1  3.94 ppm2  1.97 volume   2.79e+07 { 190 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 8 and name HG2))  6.0 0.1 0.1
    peak 191  ppm1  4.50 ppm2  1.95 volume   9.61e+08 { 191 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 64 and name HA))  6.0 0.1 0.1
    peak 192  ppm1  3.95 ppm2  5.08 volume   5.01e+06 { 192 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 64 and name HA))  6.0 0.1 0.1
    peak 193  ppm1  4.50 ppm2  5.09 volume   5.75e+06 { 193 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 194  ppm1  3.95 ppm2  1.15 volume   8.26e+06 { 194 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 195  ppm1  4.49 ppm2  1.15 volume   7.27e+06 { 195 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 196  ppm1  3.94 ppm2  0.77 volume   7.88e+06 { 196 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 197  ppm1  4.50 ppm2  0.78 volume   9.19e+06 { 197 }
assi (((resi 8 and name HD1))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 65 and name HG))  6.0 0.1 0.1
    peak 198  ppm1  3.94 ppm2  1.52 volume   5.14e+06 { 198 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 65 and name HG))  6.0 0.1 0.1
    peak 199  ppm1  4.49 ppm2  1.51 volume   6.75e+06 { 199 }
assi (((resi 8 and name HD2))
   and bondedto
   ((resi 8 and name CD)))
   ((resi 65 and name HN))  6.0 0.1 0.1
    peak 200  ppm1  4.49 ppm2  9.16 volume   8.67e+06 { 200 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 201  ppm1  2.07 ppm2  5.35 volume   2.88e+06 { 201 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 202  ppm1  1.94 ppm2  5.35 volume   5.05e+06 { 202 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 8 and name HA))  6.0 0.1 0.1
    peak 203  ppm1  2.06 ppm2  4.80 volume   8.79e+06 { 203 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 8 and name HA))  6.0 0.1 0.1
    peak 204  ppm1  1.95 ppm2  4.80 volume   6.37e+06 { 204 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 8 and name HD1))  6.0 0.1 0.1
    peak 205  ppm1  1.94 ppm2  3.94 volume   1.02e+07 { 205 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 206  ppm1  2.06 ppm2  4.50 volume   1.25e+07 { 206 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 207  ppm1  1.94 ppm2  4.50 volume   1.29e+07 { 207 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 208  ppm1  2.06 ppm2  0.43 volume   6.84e+06 { 208 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 209  ppm1  1.95 ppm2  0.43 volume   6.08e+06 { 209 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 210  ppm1  2.06 ppm2  0.06 volume   1.22e+07 { 210 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 211  ppm1  1.94 ppm2  0.06 volume   1.25e+07 { 211 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 13 and name HG))  6.0 0.1 0.1
    peak 212  ppm1  2.06 ppm2  1.39 volume   3.27e+08 { 212 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 13 and name HG))  6.0 0.1 0.1
    peak 213  ppm1  1.94 ppm2  1.39 volume   2.10e+08 { 213 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 214  ppm1  2.06 ppm2  6.76 volume   4.47e+06 { 214 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 215  ppm1  1.94 ppm2  6.78 volume   6.41e+06 { 215 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 216  ppm1  2.05 ppm2  1.12 volume   2.67e+08 { 216 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 217  ppm1  1.93 ppm2  1.15 volume   2.24e+08 { 217 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 218  ppm1  2.05 ppm2  0.76 volume   5.97e+07 { 218 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 219  ppm1  1.94 ppm2  0.77 volume   2.36e+08 { 219 }
assi (((resi 8 and name HG1))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 220  ppm1  2.06 ppm2  0.93 volume   6.69e+08 { 220 }
assi (((resi 8 and name HG2))
   and bondedto
   ((resi 8 and name CG)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 221  ppm1  1.94 ppm2  0.94 volume   2.00e+08 { 221 }
assi (((resi 9 and name HG2#))
   and bondedto
   ((resi 9 and name CG2)))
   ((resi 9 and name HA))  6.0 0.1 0.1
    peak 222  ppm1  1.46 ppm2  4.71 volume   1.27e+08 { 222 }
assi (((resi 9 and name HG2#))
   and bondedto
   ((resi 9 and name CG2)))
   ((resi 9 and name HB))  6.0 0.1 0.1
    peak 223  ppm1  1.45 ppm2  4.82 volume   8.86e+07 { 223 }
assi (((resi 9 and name HG2#))
   and bondedto
   ((resi 9 and name CG2)))
   ((resi 10 and name HB1))  6.0 0.1 0.1
    peak 224  ppm1  1.46 ppm2  1.92 volume   5.03e+08 { 224 }
assi (((resi 9 and name HG2#))
   and bondedto
   ((resi 9 and name CG2)))
   ((resi 10 and name HG2))  6.0 0.1 0.1
    peak 225  ppm1  1.46 ppm2  2.03 volume   4.79e+08 { 225 }
assi (((resi 9 and name HG2#))
   and bondedto
   ((resi 9 and name CG2)))
   ((resi 11 and name HA))  6.0 0.1 0.1
    peak 226  ppm1  1.46 ppm2  3.92 volume   6.13e+07 { 226 }
assi (((resi 9 and name HG2#))
   and bondedto
   ((resi 9 and name CG2)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 227  ppm1  1.46 ppm2  7.83 volume   7.08e+07 { 227 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 10 and name HB1))  6.0 0.1 0.1
    peak 228  ppm1  4.12 ppm2  1.90 volume   4.02e+07 { 228 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 10 and name HB2))  6.0 0.1 0.1
    peak 229  ppm1  4.12 ppm2  2.37 volume   6.06e+07 { 229 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 10 and name HG1))  6.0 0.1 0.1
    peak 230  ppm1  4.12 ppm2  2.26 volume   1.92e+07 { 230 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 10 and name HG2))  6.0 0.1 0.1
    peak 231  ppm1  4.12 ppm2  2.04 volume   2.76e+07 { 231 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 232  ppm1  4.12 ppm2  7.81 volume   9.27e+06 { 232 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 13 and name HB1))  6.0 0.1 0.1
    peak 233  ppm1  4.12 ppm2  1.70 volume   2.93e+07 { 233 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 13 and name HB2))  6.0 0.1 0.1
    peak 234  ppm1  4.12 ppm2  1.05 volume   1.09e+07 { 234 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 235  ppm1  4.12 ppm2  0.44 volume   3.63e+07 { 235 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 236  ppm1  4.12 ppm2  0.06 volume   4.85e+06 { 236 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 13 and name HG))  6.0 0.1 0.1
    peak 237  ppm1  4.12 ppm2  1.41 volume   1.36e+07 { 237 }
assi (((resi 10 and name HA))
   and bondedto
   ((resi 10 and name CA)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 238  ppm1  4.12 ppm2  7.65 volume   1.69e+07 { 238 }
assi (((resi 10 and name HB1))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 10 and name HA))  6.0 0.1 0.1
    peak 239  ppm1  1.90 ppm2  4.12 volume   3.54e+08 { 239 }
assi (((resi 10 and name HB2))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 10 and name HA))  6.0 0.1 0.1
    peak 240  ppm1  2.38 ppm2  4.12 volume   4.49e+07 { 240 }
assi (((resi 10 and name HB2))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 10 and name HB1))  6.0 0.1 0.1
    peak 241  ppm1  2.38 ppm2  1.89 volume   2.41e+09 { 241 }
assi (((resi 10 and name HB1))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 10 and name HB2))  6.0 0.1 0.1
    peak 242  ppm1  1.90 ppm2  2.37 volume   6.61e+08 { 242 }
assi (((resi 10 and name HB2))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 10 and name HD#))  6.0 0.1 0.1
    peak 243  ppm1  2.38 ppm2  3.93 volume   2.19e+07 { 243 }
assi (((resi 10 and name HB2))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 10 and name HG1))  6.0 0.1 0.1
    peak 244  ppm1  2.38 ppm2  2.25 volume   1.11e+09 { 244 }
assi (((resi 10 and name HB2))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 10 and name HG2))  6.0 0.1 0.1
    peak 245  ppm1  2.38 ppm2  2.05 volume   1.23e+09 { 245 }
assi (((resi 10 and name HB1))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 246  ppm1  1.90 ppm2  0.45 volume   2.17e+07 { 246 }
assi (((resi 10 and name HB2))
   and bondedto
   ((resi 10 and name CB)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 247  ppm1  2.37 ppm2  0.43 volume   2.38e+07 { 247 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 9 and name HA))  6.0 0.1 0.1
    peak 248  ppm1  3.92 ppm2  4.68 volume   9.22e+07 { 248 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 9 and name HB))  6.0 0.1 0.1
    peak 249  ppm1  3.93 ppm2  4.82 volume   5.19e+07 { 249 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 9 and name HG2#))  6.0 0.1 0.1
    peak 250  ppm1  3.92 ppm2  1.45 volume   3.45e+07 { 250 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 10 and name HA))  6.0 0.1 0.1
    peak 251  ppm1  3.93 ppm2  4.11 volume   7.51e+08 { 251 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 10 and name HB1))  6.0 0.1 0.1
    peak 252  ppm1  3.92 ppm2  1.90 volume   2.66e+07 { 252 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 10 and name HB2))  6.0 0.1 0.1
    peak 253  ppm1  3.93 ppm2  2.36 volume   1.72e+07 { 253 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 10 and name HG1))  6.0 0.1 0.1
    peak 254  ppm1  3.93 ppm2  2.24 volume   4.91e+07 { 254 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 10 and name HG2))  6.0 0.1 0.1
    peak 255  ppm1  3.92 ppm2  2.05 volume   4.64e+07 { 255 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 11 and name HN))  6.0 0.1 0.1
    peak 256  ppm1  3.94 ppm2  8.64 volume   4.34e+06 { 256 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 257  ppm1  3.93 ppm2  7.83 volume   6.45e+06 { 257 }
assi (((resi 10 and name HD#))
   and bondedto
   ((resi 10 and name CD)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 258  ppm1  3.93 ppm2  7.66 volume   1.73e+07 { 258 }
assi (((resi 10 and name HG2))
   and bondedto
   ((resi 10 and name CG)))
   ((resi 9 and name HA))  6.0 0.1 0.1
    peak 259  ppm1  2.06 ppm2  4.67 volume   1.07e+07 { 259 }
assi (((resi 10 and name HG1))
   and bondedto
   ((resi 10 and name CG)))
   ((resi 9 and name HB))  6.0 0.1 0.1
    peak 260  ppm1  2.23 ppm2  4.81 volume   7.14e+06 { 260 }
assi (((resi 10 and name HG2))
   and bondedto
   ((resi 10 and name CG)))
   ((resi 9 and name HB))  6.0 0.1 0.1
    peak 261  ppm1  2.06 ppm2  4.81 volume   9.48e+06 { 261 }
assi (((resi 10 and name HG1))
   and bondedto
   ((resi 10 and name CG)))
   ((resi 10 and name HD#))  6.0 0.1 0.1
    peak 262  ppm1  2.24 ppm2  3.93 volume   5.09e+07 { 262 }
assi (((resi 10 and name HG2))
   and bondedto
   ((resi 10 and name CG)))
   ((resi 10 and name HD#))  6.0 0.1 0.1
    peak 263  ppm1  2.05 ppm2  3.92 volume   4.28e+07 { 263 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 11 and name HB1))  6.0 0.1 0.1
    peak 264  ppm1  3.92 ppm2  1.91 volume   8.04e+07 { 264 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 11 and name HB2))  6.0 0.1 0.1
    peak 265  ppm1  3.92 ppm2  2.06 volume   4.08e+07 { 265 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 11 and name HG1))  6.0 0.1 0.1
    peak 266  ppm1  3.92 ppm2  2.45 volume   1.91e+07 { 266 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 11 and name HG2))  6.0 0.1 0.1
    peak 267  ppm1  3.92 ppm2  2.24 volume   4.62e+07 { 267 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 11 and name HN))  6.0 0.1 0.1
    peak 268  ppm1  3.92 ppm2  8.62 volume   4.44e+06 { 268 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 269  ppm1  3.92 ppm2  7.81 volume   1.02e+07 { 269 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 14 and name HD#))  6.0 0.1 0.1
    peak 270  ppm1  3.93 ppm2  1.67 volume   1.25e+07 { 270 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 14 and name HG2))  6.0 0.1 0.1
    peak 271  ppm1  3.92 ppm2  1.43 volume   9.86e+06 { 271 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 14 and name HN))  6.0 0.1 0.1
    peak 272  ppm1  3.92 ppm2  7.63 volume   1.66e+07 { 272 }
assi (((resi 11 and name HA))
   and bondedto
   ((resi 11 and name CA)))
   ((resi 15 and name HN))  6.0 0.1 0.1
    peak 273  ppm1  3.92 ppm2  8.02 volume   6.52e+06 { 273 }
assi (((resi 11 and name HB1))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HA))  6.0 0.1 0.1
    peak 274  ppm1  1.93 ppm2  3.92 volume   3.03e+07 { 274 }
assi (((resi 11 and name HB2))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HA))  6.0 0.1 0.1
    peak 275  ppm1  2.06 ppm2  3.93 volume   2.32e+08 { 275 }
assi (((resi 11 and name HB2))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HB1))  6.0 0.1 0.1
    peak 276  ppm1  2.07 ppm2  1.93 volume   7.56e+08 { 276 }
assi (((resi 11 and name HB1))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HB2))  6.0 0.1 0.1
    peak 277  ppm1  1.93 ppm2  2.06 volume   7.99e+08 { 277 }
assi (((resi 11 and name HB1))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HG1))  6.0 0.1 0.1
    peak 278  ppm1  1.94 ppm2  2.45 volume   9.45e+08 { 278 }
assi (((resi 11 and name HB2))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HG1))  6.0 0.1 0.1
    peak 279  ppm1  2.07 ppm2  2.44 volume   9.59e+08 { 279 }
assi (((resi 11 and name HB1))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HG2))  6.0 0.1 0.1
    peak 280  ppm1  1.93 ppm2  2.25 volume   1.26e+09 { 280 }
assi (((resi 11 and name HB2))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HG2))  6.0 0.1 0.1
    peak 281  ppm1  2.06 ppm2  2.25 volume   1.34e+09 { 281 }
assi (((resi 11 and name HB1))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HN))  6.0 0.1 0.1
    peak 282  ppm1  1.92 ppm2  8.62 volume   4.57e+07 { 282 }
assi (((resi 11 and name HB2))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 11 and name HN))  6.0 0.1 0.1
    peak 283  ppm1  2.05 ppm2  8.63 volume   2.27e+07 { 283 }
assi (((resi 11 and name HB1))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 284  ppm1  1.94 ppm2  7.81 volume   9.00e+06 { 284 }
assi (((resi 11 and name HB2))
   and bondedto
   ((resi 11 and name CB)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 285  ppm1  2.07 ppm2  7.81 volume   7.57e+06 { 285 }
assi (((resi 11 and name HG1))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 11 and name HA))  6.0 0.1 0.1
    peak 286  ppm1  2.45 ppm2  3.92 volume   2.43e+07 { 286 }
assi (((resi 11 and name HG2))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 11 and name HA))  6.0 0.1 0.1
    peak 287  ppm1  2.25 ppm2  3.92 volume   6.44e+08 { 287 }
assi (((resi 11 and name HG1))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 11 and name HB1))  6.0 0.1 0.1
    peak 288  ppm1  2.45 ppm2  1.93 volume   1.22e+09 { 288 }
assi (((resi 11 and name HG2))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 11 and name HB1))  6.0 0.1 0.1
    peak 289  ppm1  2.25 ppm2  1.95 volume   5.08e+08 { 289 }
assi (((resi 11 and name HG1))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 11 and name HB2))  6.0 0.1 0.1
    peak 290  ppm1  2.45 ppm2  2.06 volume   1.24e+09 { 290 }
assi (((resi 11 and name HG2))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 11 and name HB2))  6.0 0.1 0.1
    peak 291  ppm1  2.26 ppm2  2.07 volume   3.73e+08 { 291 }
assi (((resi 11 and name HG2))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 11 and name HG1))  6.0 0.1 0.1
    peak 292  ppm1  2.25 ppm2  2.45 volume   4.19e+09 { 292 }
assi (((resi 11 and name HG1))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 11 and name HG2))  6.0 0.1 0.1
    peak 293  ppm1  2.45 ppm2  2.25 volume   4.06e+09 { 293 }
assi (((resi 11 and name HG1))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 294  ppm1  2.44 ppm2  7.81 volume   5.64e+06 { 294 }
assi (((resi 11 and name HG2))
   and bondedto
   ((resi 11 and name CG)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 295  ppm1  2.26 ppm2  7.81 volume   3.94e+06 { 295 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 12 and name HB2))  6.0 0.1 0.1
    peak 296  ppm1  4.11 ppm2  1.91 volume   1.51e+09 { 296 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 12 and name HD2))  6.0 0.1 0.1
    peak 297  ppm1  4.11 ppm2  1.69 volume   8.70e+08 { 297 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 12 and name HE2))  6.0 0.1 0.1
    peak 298  ppm1  4.11 ppm2  2.84 volume   2.42e+07 { 298 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 12 and name HG1))  6.0 0.1 0.1
    peak 299  ppm1  4.11 ppm2  1.30 volume   7.28e+08 { 299 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 12 and name HG2))  6.0 0.1 0.1
    peak 300  ppm1  4.11 ppm2  1.40 volume   5.04e+08 { 300 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 301  ppm1  4.11 ppm2  7.81 volume   2.48e+07 { 301 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 302  ppm1  4.11 ppm2  7.65 volume   1.21e+07 { 302 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 15 and name HB#))  6.0 0.1 0.1
    peak 303  ppm1  4.11 ppm2  2.16 volume   1.12e+09 { 303 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 15 and name HG1))  6.0 0.1 0.1
    peak 304  ppm1  4.11 ppm2  2.37 volume   5.42e+07 { 304 }
assi (((resi 12 and name HA))
   and bondedto
   ((resi 12 and name CA)))
   ((resi 15 and name HN))  6.0 0.1 0.1
    peak 305  ppm1  4.12 ppm2  8.03 volume   1.46e+07 { 305 }
assi (((resi 12 and name HB1))
   and bondedto
   ((resi 12 and name CB)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 306  ppm1  1.97 ppm2  7.83 volume   1.35e+08 { 306 }
assi (((resi 12 and name HB2))
   and bondedto
   ((resi 12 and name CB)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 307  ppm1  1.89 ppm2  7.82 volume   2.10e+08 { 307 }
assi (((resi 12 and name HD2))
   and bondedto
   ((resi 12 and name CD)))
   ((resi 12 and name HA))  6.0 0.1 0.1
    peak 308  ppm1  1.73 ppm2  4.11 volume   1.52e+08 { 308 }
assi (((resi 12 and name HD2))
   and bondedto
   ((resi 12 and name CD)))
   ((resi 12 and name HA))  6.0 0.1 0.1
    peak 309  ppm1  1.65 ppm2  4.13 volume   6.57e+07 { 309 }
assi (((resi 12 and name HD2))
   and bondedto
   ((resi 12 and name CD)))
   ((resi 12 and name HE2))  6.0 0.1 0.1
    peak 310  ppm1  1.73 ppm2  2.85 volume   1.84e+07 { 310 }
assi (((resi 12 and name HD2))
   and bondedto
   ((resi 12 and name CD)))
   ((resi 12 and name HE2))  6.0 0.1 0.1
    peak 311  ppm1  1.67 ppm2  2.85 volume   1.83e+07 { 311 }
assi (((resi 12 and name HD1))
   and bondedto
   ((resi 12 and name CD)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 312  ppm1  1.74 ppm2  7.82 volume   5.19e+07 { 312 }
assi (((resi 12 and name HD2))
   and bondedto
   ((resi 12 and name CD)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 313  ppm1  1.65 ppm2  7.82 volume   6.02e+07 { 313 }
assi (((resi 12 and name HG1))
   and bondedto
   ((resi 12 and name CG)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 314  ppm1  1.29 ppm2  7.81 volume   2.77e+07 { 314 }
assi (((resi 12 and name HG2))
   and bondedto
   ((resi 12 and name CG)))
   ((resi 12 and name HN))  6.0 0.1 0.1
    peak 315  ppm1  1.39 ppm2  7.81 volume   1.04e+07 { 315 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 10 and name HA))  6.0 0.1 0.1
    peak 316  ppm1  3.61 ppm2  4.12 volume   4.66e+07 { 316 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 13 and name HB1))  6.0 0.1 0.1
    peak 317  ppm1  3.60 ppm2  1.71 volume   2.53e+07 { 317 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 13 and name HB2))  6.0 0.1 0.1
    peak 318  ppm1  3.60 ppm2  1.05 volume   2.67e+07 { 318 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 319  ppm1  3.61 ppm2  0.44 volume   9.18e+06 { 319 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 320  ppm1  3.60 ppm2  0.06 volume   5.28e+07 { 320 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 13 and name HG))  6.0 0.1 0.1
    peak 321  ppm1  3.60 ppm2  1.42 volume   2.05e+07 { 321 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 322  ppm1  3.61 ppm2  7.65 volume   2.57e+07 { 322 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 14 and name HB#))  6.0 0.1 0.1
    peak 323  ppm1  3.57 ppm2  1.87 volume   1.95e+07 { 323 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 16 and name HD2#))  6.0 0.1 0.1
    peak 324  ppm1  3.60 ppm2  0.74 volume   1.41e+07 { 324 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 325  ppm1  3.60 ppm2  7.78 volume   9.78e+06 { 325 }
assi (((resi 13 and name HA))
   and bondedto
   ((resi 13 and name CA)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 326  ppm1  3.60 ppm2 -0.05 volume   1.90e+07 { 326 }
assi (((resi 13 and name HB1))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 10 and name HA))  6.0 0.1 0.1
    peak 327  ppm1  1.70 ppm2  4.12 volume   8.81e+06 { 327 }
assi (((resi 13 and name HB2))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 10 and name HA))  6.0 0.1 0.1
    peak 328  ppm1  1.06 ppm2  4.13 volume   7.90e+06 { 328 }
assi (((resi 13 and name HB1))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HA))  6.0 0.1 0.1
    peak 329  ppm1  1.71 ppm2  3.60 volume   1.48e+07 { 329 }
assi (((resi 13 and name HB2))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HA))  6.0 0.1 0.1
    peak 330  ppm1  1.05 ppm2  3.60 volume   1.80e+07 { 330 }
assi (((resi 13 and name HB2))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HB1))  6.0 0.1 0.1
    peak 331  ppm1  1.06 ppm2  1.70 volume   5.41e+07 { 331 }
assi (((resi 13 and name HB1))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HB2))  6.0 0.1 0.1
    peak 332  ppm1  1.71 ppm2  1.05 volume   1.78e+09 { 332 }
assi (((resi 13 and name HB1))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 333  ppm1  1.70 ppm2  0.44 volume   9.12e+08 { 333 }
assi (((resi 13 and name HB2))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 334  ppm1  1.06 ppm2  0.43 volume   2.72e+07 { 334 }
assi (((resi 13 and name HB1))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 335  ppm1  1.71 ppm2  0.06 volume   1.52e+07 { 335 }
assi (((resi 13 and name HB2))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 336  ppm1  1.06 ppm2  0.06 volume   2.06e+07 { 336 }
assi (((resi 13 and name HB1))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HG))  6.0 0.1 0.1
    peak 337  ppm1  1.71 ppm2  1.40 volume   6.91e+08 { 337 }
assi (((resi 13 and name HB2))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HG))  6.0 0.1 0.1
    peak 338  ppm1  1.06 ppm2  1.40 volume   2.16e+07 { 338 }
assi (((resi 13 and name HB1))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 339  ppm1  1.71 ppm2  7.65 volume   2.69e+07 { 339 }
assi (((resi 13 and name HB2))
   and bondedto
   ((resi 13 and name CB)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 340  ppm1  1.06 ppm2  7.65 volume   2.11e+07 { 340 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 8 and name HG1))  6.0 0.1 0.1
    peak 341  ppm1  0.44 ppm2  2.04 volume   1.45e+08 { 341 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 8 and name HG2))  6.0 0.1 0.1
    peak 342  ppm1  0.44 ppm2  1.94 volume   4.33e+08 { 342 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 10 and name HA))  6.0 0.1 0.1
    peak 343  ppm1  0.44 ppm2  4.12 volume   2.69e+07 { 343 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 13 and name HA))  6.0 0.1 0.1
    peak 344  ppm1  0.44 ppm2  3.60 volume   1.15e+07 { 344 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 13 and name HB1))  6.0 0.1 0.1
    peak 345  ppm1  0.44 ppm2  1.70 volume   6.48e+08 { 345 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 13 and name HB2))  6.0 0.1 0.1
    peak 346  ppm1  0.44 ppm2  1.05 volume   6.38e+08 { 346 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 347  ppm1  0.44 ppm2  0.06 volume   1.52e+09 { 347 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 13 and name HG))  6.0 0.1 0.1
    peak 348  ppm1  0.44 ppm2  1.40 volume   7.76e+08 { 348 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 349  ppm1  0.44 ppm2  7.65 volume   1.98e+07 { 349 }
assi (((resi 13 and name HD1#))
   and bondedto
   ((resi 13 and name CD1)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 350  ppm1  0.43 ppm2  6.75 volume   8.68e+06 { 350 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 8 and name HB1))  6.0 0.1 0.1
    peak 351  ppm1  0.07 ppm2  2.04 volume   3.14e+08 { 351 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 352  ppm1  0.07 ppm2  4.49 volume   2.64e+07 { 352 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 8 and name HG2))  6.0 0.1 0.1
    peak 353  ppm1  0.07 ppm2  1.95 volume   1.05e+09 { 353 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 10 and name HA))  6.0 0.1 0.1
    peak 354  ppm1  0.08 ppm2  4.13 volume   7.43e+06 { 354 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 10 and name HD#))  6.0 0.1 0.1
    peak 355  ppm1  0.07 ppm2  3.95 volume   8.62e+06 { 355 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 13 and name HA))  6.0 0.1 0.1
    peak 356  ppm1  0.07 ppm2  3.60 volume   6.85e+07 { 356 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 13 and name HB1))  6.0 0.1 0.1
    peak 357  ppm1  0.07 ppm2  1.70 volume   5.33e+08 { 357 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 13 and name HB2))  6.0 0.1 0.1
    peak 358  ppm1  0.07 ppm2  1.09 volume   7.00e+08 { 358 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 359  ppm1  0.07 ppm2  0.43 volume   2.10e+09 { 359 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 13 and name HG))  6.0 0.1 0.1
    peak 360  ppm1  0.07 ppm2  1.40 volume   1.22e+09 { 360 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 361  ppm1  0.07 ppm2  7.64 volume   1.10e+08 { 361 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 16 and name HD1#))  6.0 0.1 0.1
    peak 362  ppm1  0.07 ppm2  0.95 volume   8.75e+08 { 362 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 16 and name HD2#))  6.0 0.1 0.1
    peak 363  ppm1  0.07 ppm2  0.76 volume   1.14e+09 { 363 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 364  ppm1  0.07 ppm2  6.87 volume   9.76e+06 { 364 }
assi (((resi 13 and name HD2#))
   and bondedto
   ((resi 13 and name CD2)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 365  ppm1  0.07 ppm2  6.75 volume   1.50e+07 { 365 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 8 and name HB1))  6.0 0.1 0.1
    peak 366  ppm1  1.40 ppm2  2.07 volume   4.54e+08 { 366 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 12 and name HA))  6.0 0.1 0.1
    peak 367  ppm1  1.41 ppm2  4.12 volume   5.30e+06 { 367 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 12 and name HB1))  6.0 0.1 0.1
    peak 368  ppm1  1.40 ppm2  1.95 volume   5.62e+08 { 368 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 13 and name HA))  6.0 0.1 0.1
    peak 369  ppm1  1.40 ppm2  3.60 volume   7.07e+06 { 369 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 13 and name HB1))  6.0 0.1 0.1
    peak 370  ppm1  1.41 ppm2  1.70 volume   9.29e+08 { 370 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 13 and name HB2))  6.0 0.1 0.1
    peak 371  ppm1  1.40 ppm2  1.06 volume   4.87e+08 { 371 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 372  ppm1  1.40 ppm2  0.44 volume   6.27e+08 { 372 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 373  ppm1  1.40 ppm2  0.07 volume   6.75e+07 { 373 }
assi (((resi 13 and name HG))
   and bondedto
   ((resi 13 and name CG)))
   ((resi 13 and name HN))  6.0 0.1 0.1
    peak 374  ppm1  1.40 ppm2  7.66 volume   1.78e+07 { 374 }
assi (((resi 14 and name HA))
   and bondedto
   ((resi 14 and name CA)))
   ((resi 14 and name HB#))  6.0 0.1 0.1
    peak 375  ppm1  4.03 ppm2  1.87 volume   6.86e+08 { 375 }
assi (((resi 14 and name HA))
   and bondedto
   ((resi 14 and name CA)))
   ((resi 14 and name HD#))  6.0 0.1 0.1
    peak 376  ppm1  4.03 ppm2  1.65 volume   1.78e+08 { 376 }
assi (((resi 14 and name HA))
   and bondedto
   ((resi 14 and name CA)))
   ((resi 14 and name HG2))  6.0 0.1 0.1
    peak 377  ppm1  4.03 ppm2  1.42 volume   1.60e+08 { 377 }
assi (((resi 14 and name HA))
   and bondedto
   ((resi 14 and name CA)))
   ((resi 14 and name HN))  6.0 0.1 0.1
    peak 378  ppm1  4.03 ppm2  7.62 volume   4.89e+07 { 378 }
assi (((resi 14 and name HA))
   and bondedto
   ((resi 14 and name CA)))
   ((resi 15 and name HN))  6.0 0.1 0.1
    peak 379  ppm1  4.02 ppm2  8.02 volume   1.87e+07 { 379 }
assi (((resi 14 and name HA))
   and bondedto
   ((resi 14 and name CA)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 380  ppm1  4.02 ppm2  7.78 volume   9.41e+06 { 380 }
assi (((resi 14 and name HB#))
   and bondedto
   ((resi 14 and name CB)))
   ((resi 14 and name HA))  6.0 0.1 0.1
    peak 381  ppm1  1.88 ppm2  4.02 volume   3.88e+08 { 381 }
assi (((resi 14 and name HB#))
   and bondedto
   ((resi 14 and name CB)))
   ((resi 14 and name HE#))  6.0 0.1 0.1
    peak 382  ppm1  1.88 ppm2  2.93 volume   4.33e+06 { 382 }
assi (((resi 14 and name HB#))
   and bondedto
   ((resi 14 and name CB)))
   ((resi 14 and name HN))  6.0 0.1 0.1
    peak 383  ppm1  1.88 ppm2  7.63 volume   5.43e+07 { 383 }
assi (((resi 14 and name HB#))
   and bondedto
   ((resi 14 and name CB)))
   ((resi 15 and name HN))  6.0 0.1 0.1
    peak 384  ppm1  1.87 ppm2  8.02 volume   2.60e+07 { 384 }
assi (((resi 14 and name HD#))
   and bondedto
   ((resi 14 and name CD)))
   ((resi 14 and name HA))  6.0 0.1 0.1
    peak 385  ppm1  1.64 ppm2  4.04 volume   5.27e+07 { 385 }
assi (((resi 14 and name HD#))
   and bondedto
   ((resi 14 and name CD)))
   ((resi 14 and name HN))  6.0 0.1 0.1
    peak 386  ppm1  1.65 ppm2  7.62 volume   7.97e+07 { 386 }
assi (((resi 14 and name HE#))
   and bondedto
   ((resi 14 and name CE)))
   ((resi 14 and name HN))  6.0 0.1 0.1
    peak 387  ppm1  2.96 ppm2  7.62 volume   2.41e+07 { 387 }
assi (((resi 14 and name HG1))
   and bondedto
   ((resi 14 and name CG)))
   ((resi 14 and name HA))  6.0 0.1 0.1
    peak 388  ppm1  1.47 ppm2  4.02 volume   9.57e+07 { 388 }
assi (((resi 14 and name HG2))
   and bondedto
   ((resi 14 and name CG)))
   ((resi 14 and name HA))  6.0 0.1 0.1
    peak 389  ppm1  1.39 ppm2  4.02 volume   7.42e+07 { 389 }
assi (((resi 14 and name HG1))
   and bondedto
   ((resi 14 and name CG)))
   ((resi 14 and name HN))  6.0 0.1 0.1
    peak 390  ppm1  1.47 ppm2  7.63 volume   6.08e+07 { 390 }
assi (((resi 15 and name HA))
   and bondedto
   ((resi 15 and name CA)))
   ((resi 15 and name HB#))  6.0 0.1 0.1
    peak 391  ppm1  3.97 ppm2  2.17 volume   7.25e+08 { 391 }
assi (((resi 15 and name HA))
   and bondedto
   ((resi 15 and name CA)))
   ((resi 15 and name HG1))  6.0 0.1 0.1
    peak 392  ppm1  3.97 ppm2  2.36 volume   2.01e+08 { 392 }
assi (((resi 15 and name HA))
   and bondedto
   ((resi 15 and name CA)))
   ((resi 15 and name HN))  6.0 0.1 0.1
    peak 393  ppm1  3.96 ppm2  8.02 volume   3.02e+07 { 393 }
assi (((resi 15 and name HA))
   and bondedto
   ((resi 15 and name CA)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 394  ppm1  3.97 ppm2  7.76 volume   1.37e+07 { 394 }
assi (((resi 15 and name HB#))
   and bondedto
   ((resi 15 and name CB)))
   ((resi 15 and name HA))  6.0 0.1 0.1
    peak 395  ppm1  2.15 ppm2  3.97 volume   3.52e+07 { 395 }
assi (((resi 15 and name HB#))
   and bondedto
   ((resi 15 and name CB)))
   ((resi 15 and name HG1))  6.0 0.1 0.1
    peak 396  ppm1  2.15 ppm2  2.38 volume   1.18e+09 { 396 }
assi (((resi 15 and name HB#))
   and bondedto
   ((resi 15 and name CB)))
   ((resi 16 and name HA))  6.0 0.1 0.1
    peak 397  ppm1  2.15 ppm2  4.19 volume   3.72e+08 { 397 }
assi (((resi 15 and name HB#))
   and bondedto
   ((resi 15 and name CB)))
   ((resi 16 and name HD1#))  6.0 0.1 0.1
    peak 398  ppm1  2.15 ppm2  0.92 volume   6.76e+07 { 398 }
assi (((resi 15 and name HB#))
   and bondedto
   ((resi 15 and name CB)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 399  ppm1  2.16 ppm2  7.76 volume   1.12e+07 { 399 }
assi (((resi 15 and name HG1))
   and bondedto
   ((resi 15 and name CG)))
   ((resi 15 and name HA))  6.0 0.1 0.1
    peak 400  ppm1  2.36 ppm2  3.97 volume   2.42e+07 { 400 }
assi (((resi 15 and name HG2))
   and bondedto
   ((resi 15 and name CG)))
   ((resi 15 and name HA))  6.0 0.1 0.1
    peak 401  ppm1  2.20 ppm2  3.97 volume   2.18e+08 { 401 }
assi (((resi 15 and name HG1))
   and bondedto
   ((resi 15 and name CG)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 402  ppm1  2.36 ppm2  7.76 volume   4.37e+06 { 402 }
assi (((resi 15 and name HG2))
   and bondedto
   ((resi 15 and name CG)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 403  ppm1  2.20 ppm2  7.76 volume   7.46e+06 { 403 }
assi (((resi 16 and name HA))
   and bondedto
   ((resi 16 and name CA)))
   ((resi 16 and name HB#))  6.0 0.1 0.1
    peak 404  ppm1  4.17 ppm2  1.49 volume   4.87e+08 { 404 }
assi (((resi 16 and name HA))
   and bondedto
   ((resi 16 and name CA)))
   ((resi 16 and name HD1#))  6.0 0.1 0.1
    peak 405  ppm1  4.17 ppm2  0.91 volume   8.49e+07 { 405 }
assi (((resi 16 and name HA))
   and bondedto
   ((resi 16 and name CA)))
   ((resi 16 and name HD2#))  6.0 0.1 0.1
    peak 406  ppm1  4.16 ppm2  0.74 volume   1.61e+07 { 406 }
assi (((resi 16 and name HA))
   and bondedto
   ((resi 16 and name CA)))
   ((resi 16 and name HG))  6.0 0.1 0.1
    peak 407  ppm1  4.17 ppm2  1.79 volume   1.48e+08 { 407 }
assi (((resi 16 and name HA))
   and bondedto
   ((resi 16 and name CA)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 408  ppm1  4.16 ppm2  7.76 volume   2.35e+07 { 408 }
assi (((resi 16 and name HA))
   and bondedto
   ((resi 16 and name CA)))
   ((resi 17 and name HN))  6.0 0.1 0.1
    peak 409  ppm1  4.16 ppm2  7.61 volume   8.97e+06 { 409 }
assi (((resi 16 and name HA))
   and bondedto
   ((resi 16 and name CA)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 410  ppm1  4.16 ppm2 -0.05 volume   6.41e+06 { 410 }
assi (((resi 16 and name HB#))
   and bondedto
   ((resi 16 and name CB)))
   ((resi 13 and name HA))  6.0 0.1 0.1
    peak 411  ppm1  1.51 ppm2  3.60 volume   5.27e+06 { 411 }
assi (((resi 16 and name HB#))
   and bondedto
   ((resi 16 and name CB)))
   ((resi 16 and name HA))  6.0 0.1 0.1
    peak 412  ppm1  1.49 ppm2  4.17 volume   1.77e+07 { 412 }
assi (((resi 16 and name HB#))
   and bondedto
   ((resi 16 and name CB)))
   ((resi 16 and name HD1#))  6.0 0.1 0.1
    peak 413  ppm1  1.50 ppm2  0.90 volume   2.34e+08 { 413 }
assi (((resi 16 and name HB#))
   and bondedto
   ((resi 16 and name CB)))
   ((resi 16 and name HD2#))  6.0 0.1 0.1
    peak 414  ppm1  1.51 ppm2  0.74 volume   2.63e+08 { 414 }
assi (((resi 16 and name HB#))
   and bondedto
   ((resi 16 and name CB)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 415  ppm1  1.50 ppm2  7.77 volume   1.78e+07 { 415 }
assi (((resi 16 and name HB#))
   and bondedto
   ((resi 16 and name CB)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 416  ppm1  1.49 ppm2 -0.04 volume   2.12e+07 { 416 }
assi (((resi 16 and name HB#))
   and bondedto
   ((resi 16 and name CB)))
   ((resi 18 and name HN))  6.0 0.1 0.1
    peak 417  ppm1  1.49 ppm2  6.56 volume   5.33e+06 { 417 }
assi (((resi 16 and name HB#))
   and bondedto
   ((resi 16 and name CB)))
   ((resi 21 and name HZ2))  6.0 0.1 0.1
    peak 418  ppm1  1.50 ppm2  7.42 volume   8.69e+06 { 418 }
assi (((resi 16 and name HD1#))
   and bondedto
   ((resi 16 and name CD1)))
   ((resi 12 and name HE2))  6.0 0.1 0.1
    peak 419  ppm1  0.91 ppm2  2.86 volume   1.23e+07 { 419 }
assi (((resi 16 and name HD1#))
   and bondedto
   ((resi 16 and name CD1)))
   ((resi 16 and name HA))  6.0 0.1 0.1
    peak 420  ppm1  0.91 ppm2  4.16 volume   1.19e+08 { 420 }
assi (((resi 16 and name HD1#))
   and bondedto
   ((resi 16 and name CD1)))
   ((resi 16 and name HB#))  6.0 0.1 0.1
    peak 421  ppm1  0.91 ppm2  1.48 volume   4.59e+08 { 421 }
assi (((resi 16 and name HD1#))
   and bondedto
   ((resi 16 and name CD1)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 422  ppm1  0.91 ppm2  7.77 volume   2.21e+07 { 422 }
assi (((resi 16 and name HD1#))
   and bondedto
   ((resi 16 and name CD1)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 423  ppm1  0.91 ppm2 -0.04 volume   1.02e+08 { 423 }
assi (((resi 16 and name HD1#))
   and bondedto
   ((resi 16 and name CD1)))
   ((resi 21 and name HH2))  6.0 0.1 0.1
    peak 424  ppm1  0.91 ppm2  6.94 volume   1.22e+07 { 424 }
assi (((resi 16 and name HD1#))
   and bondedto
   ((resi 16 and name CD1)))
   ((resi 21 and name HZ2))  6.0 0.1 0.1
    peak 425  ppm1  0.91 ppm2  7.42 volume   2.09e+07 { 425 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 12 and name HE2))  6.0 0.1 0.1
    peak 426  ppm1  0.74 ppm2  2.86 volume   1.24e+07 { 426 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 13 and name HA))  6.0 0.1 0.1
    peak 427  ppm1  0.74 ppm2  3.60 volume   1.41e+07 { 427 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 428  ppm1  0.74 ppm2  0.04 volume   1.58e+07 { 428 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 16 and name HA))  6.0 0.1 0.1
    peak 429  ppm1  0.74 ppm2  4.16 volume   1.26e+07 { 429 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 16 and name HB#))  6.0 0.1 0.1
    peak 430  ppm1  0.74 ppm2  1.49 volume   4.75e+08 { 430 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 16 and name HD1#))  6.0 0.1 0.1
    peak 431  ppm1  0.74 ppm2  0.93 volume   3.56e+08 { 431 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 16 and name HG))  6.0 0.1 0.1
    peak 432  ppm1  0.74 ppm2  1.78 volume   3.36e+08 { 432 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 433  ppm1  0.74 ppm2  7.77 volume   1.55e+07 { 433 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 434  ppm1  0.74 ppm2 -0.04 volume   2.93e+07 { 434 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 21 and name HH2))  6.0 0.1 0.1
    peak 435  ppm1  0.74 ppm2  6.94 volume   6.79e+06 { 435 }
assi (((resi 16 and name HD2#))
   and bondedto
   ((resi 16 and name CD2)))
   ((resi 21 and name HZ2))  6.0 0.1 0.1
    peak 436  ppm1  0.74 ppm2  7.42 volume   6.22e+06 { 436 }
assi (((resi 16 and name HG))
   and bondedto
   ((resi 16 and name CG)))
   ((resi 16 and name HB#))  6.0 0.1 0.1
    peak 437  ppm1  1.78 ppm2  1.49 volume   3.49e+08 { 437 }
assi (((resi 16 and name HG))
   and bondedto
   ((resi 16 and name CG)))
   ((resi 16 and name HD2#))  6.0 0.1 0.1
    peak 438  ppm1  1.78 ppm2  0.74 volume   2.56e+08 { 438 }
assi (((resi 17 and name HA))
   and bondedto
   ((resi 17 and name CA)))
   ((resi 16 and name HB#))  6.0 0.1 0.1
    peak 439  ppm1  3.96 ppm2  1.49 volume   7.23e+07 { 439 }
assi (((resi 17 and name HA))
   and bondedto
   ((resi 17 and name CA)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 440  ppm1  3.96 ppm2  7.74 volume   7.12e+06 { 440 }
assi (((resi 17 and name HA))
   and bondedto
   ((resi 17 and name CA)))
   ((resi 17 and name HN))  6.0 0.1 0.1
    peak 441  ppm1  3.96 ppm2  7.60 volume   3.55e+07 { 441 }
assi (((resi 17 and name HA))
   and bondedto
   ((resi 17 and name CA)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 442  ppm1  3.97 ppm2 -0.05 volume   6.03e+06 { 442 }
assi (((resi 17 and name HA))
   and bondedto
   ((resi 17 and name CA)))
   ((resi 18 and name HN))  6.0 0.1 0.1
    peak 443  ppm1  3.96 ppm2  6.56 volume   2.01e+07 { 443 }
assi (((resi 17 and name HA))
   and bondedto
   ((resi 17 and name CA)))
   ((resi 19 and name HN))  6.0 0.1 0.1
    peak 444  ppm1  3.97 ppm2  8.28 volume   6.17e+06 { 444 }
assi (((resi 17 and name HB1))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 17 and name HN))  6.0 0.1 0.1
    peak 445  ppm1  4.05 ppm2  7.59 volume   1.61e+08 { 445 }
assi (((resi 17 and name HB2))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 17 and name HN))  6.0 0.1 0.1
    peak 446  ppm1  3.96 ppm2  7.59 volume   1.60e+08 { 446 }
assi (((resi 17 and name HB1))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 18 and name HN))  6.0 0.1 0.1
    peak 447  ppm1  4.04 ppm2  6.57 volume   1.60e+07 { 447 }
assi (((resi 17 and name HB2))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 18 and name HN))  6.0 0.1 0.1
    peak 448  ppm1  3.96 ppm2  6.56 volume   2.25e+07 { 448 }
assi (((resi 17 and name HB1))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 20 and name HB1))  6.0 0.1 0.1
    peak 449  ppm1  4.04 ppm2  2.12 volume   2.84e+07 { 449 }
assi (((resi 17 and name HB2))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 20 and name HB1))  6.0 0.1 0.1
    peak 450  ppm1  3.96 ppm2  2.11 volume   2.39e+07 { 450 }
assi (((resi 17 and name HB1))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 20 and name HB2))  6.0 0.1 0.1
    peak 451  ppm1  4.04 ppm2  1.96 volume   5.68e+07 { 451 }
assi (((resi 17 and name HB2))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 20 and name HB2))  6.0 0.1 0.1
    peak 452  ppm1  3.95 ppm2  1.96 volume   4.66e+07 { 452 }
assi (((resi 17 and name HB1))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 20 and name HD1))  6.0 0.1 0.1
    peak 453  ppm1  4.04 ppm2  1.71 volume   9.34e+07 { 453 }
assi (((resi 17 and name HB2))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 20 and name HD1))  6.0 0.1 0.1
    peak 454  ppm1  3.96 ppm2  1.71 volume   7.66e+07 { 454 }
assi (((resi 17 and name HB1))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 20 and name HG1))  6.0 0.1 0.1
    peak 455  ppm1  4.03 ppm2  1.46 volume   1.05e+08 { 455 }
assi (((resi 17 and name HB2))
   and bondedto
   ((resi 17 and name CB)))
   ((resi 20 and name HG1))  6.0 0.1 0.1
    peak 456  ppm1  3.96 ppm2  1.45 volume   9.42e+07 { 456 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 17 and name HA))  6.0 0.1 0.1
    peak 457  ppm1  1.19 ppm2  3.98 volume   5.31e+06 { 457 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 18 and name HB))  6.0 0.1 0.1
    peak 458  ppm1  1.18 ppm2  0.95 volume   4.55e+07 { 458 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 459  ppm1  1.18 ppm2 -0.05 volume   6.81e+07 { 459 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 18 and name HN))  6.0 0.1 0.1
    peak 460  ppm1  1.18 ppm2  6.56 volume   2.25e+07 { 460 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 19 and name HA))  6.0 0.1 0.1
    peak 461  ppm1  1.18 ppm2  3.42 volume   1.22e+07 { 461 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 19 and name HN))  6.0 0.1 0.1
    peak 462  ppm1  1.18 ppm2  8.28 volume   9.99e+06 { 462 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 20 and name HG1))  6.0 0.1 0.1
    peak 463  ppm1  1.18 ppm2  1.47 volume   7.99e+06 { 463 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 20 and name HN))  6.0 0.1 0.1
    peak 464  ppm1  1.18 ppm2  7.55 volume   6.08e+06 { 464 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 21 and name HB1))  6.0 0.1 0.1
    peak 465  ppm1  1.19 ppm2  3.70 volume   4.44e+06 { 465 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 21 and name HD1))  6.0 0.1 0.1
    peak 466  ppm1  1.18 ppm2  6.90 volume   5.21e+06 { 466 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 21 and name HE1))  6.0 0.1 0.1
    peak 467  ppm1  1.18 ppm2  9.39 volume   5.24e+06 { 467 }
assi (((resi 18 and name HA))
   and bondedto
   ((resi 18 and name CA)))
   ((resi 21 and name HN))  6.0 0.1 0.1
    peak 468  ppm1  1.18 ppm2  8.08 volume   6.88e+06 { 468 }
assi (((resi 18 and name HB))
   and bondedto
   ((resi 18 and name CB)))
   ((resi 18 and name HA))  6.0 0.1 0.1
    peak 469  ppm1  0.95 ppm2  1.17 volume   2.13e+07 { 469 }
assi (((resi 18 and name HB))
   and bondedto
   ((resi 18 and name CB)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 470  ppm1  0.95 ppm2 -0.05 volume   7.28e+07 { 470 }
assi (((resi 18 and name HB))
   and bondedto
   ((resi 18 and name CB)))
   ((resi 18 and name HN))  6.0 0.1 0.1
    peak 471  ppm1  0.95 ppm2  6.56 volume   1.42e+07 { 471 }
assi (((resi 18 and name HB))
   and bondedto
   ((resi 18 and name CB)))
   ((resi 19 and name HN))  6.0 0.1 0.1
    peak 472  ppm1  0.96 ppm2  8.28 volume   3.90e+06 { 472 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 13 and name HA))  6.0 0.1 0.1
    peak 473  ppm1 -0.03 ppm2  3.60 volume   2.28e+08 { 473 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 13 and name HD1#))  6.0 0.1 0.1
    peak 474  ppm1 -0.04 ppm2  0.43 volume   8.68e+07 { 474 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 16 and name HB#))  6.0 0.1 0.1
    peak 475  ppm1 -0.03 ppm2  1.48 volume   5.25e+08 { 475 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 16 and name HD2#))  6.0 0.1 0.1
    peak 476  ppm1 -0.03 ppm2  0.74 volume   2.49e+08 { 476 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 16 and name HG))  6.0 0.1 0.1
    peak 477  ppm1 -0.04 ppm2  1.81 volume   9.50e+07 { 477 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 16 and name HN))  6.0 0.1 0.1
    peak 478  ppm1 -0.03 ppm2  7.76 volume   4.72e+07 { 478 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 17 and name HA))  6.0 0.1 0.1
    peak 479  ppm1 -0.03 ppm2  3.97 volume   8.74e+07 { 479 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 17 and name HN))  6.0 0.1 0.1
    peak 480  ppm1 -0.03 ppm2  7.60 volume   6.73e+07 { 480 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 18 and name HA))  6.0 0.1 0.1
    peak 481  ppm1 -0.04 ppm2  1.17 volume   5.17e+08 { 481 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 18 and name HB))  6.0 0.1 0.1
    peak 482  ppm1 -0.04 ppm2  0.94 volume   1.08e+09 { 482 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 18 and name HN))  6.0 0.1 0.1
    peak 483  ppm1 -0.03 ppm2  6.56 volume   5.33e+08 { 483 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 19 and name HG1))  6.0 0.1 0.1
    peak 484  ppm1 -0.04 ppm2  2.06 volume   6.01e+07 { 484 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 19 and name HN))  6.0 0.1 0.1
    peak 485  ppm1 -0.03 ppm2  8.28 volume   1.53e+08 { 485 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 21 and name HZ2))  6.0 0.1 0.1
    peak 486  ppm1 -0.02 ppm2  7.42 volume   2.19e+07 { 486 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 42 and name HB1))  6.0 0.1 0.1
    peak 487  ppm1 -0.05 ppm2  2.90 volume   1.32e+08 { 487 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 42 and name HB2))  6.0 0.1 0.1
    peak 488  ppm1 -0.05 ppm2  2.74 volume   1.24e+08 { 488 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 489  ppm1 -0.04 ppm2  6.86 volume   2.41e+08 { 489 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 85 and name HB1))  6.0 0.1 0.1
    peak 490  ppm1 -0.05 ppm2  3.70 volume   1.06e+08 { 490 }
assi (((resi 18 and name HG*))
   and bondedto
   ((resi 18 and name CG#)))
   ((resi 85 and name HB2))  6.0 0.1 0.1
    peak 491  ppm1 -0.05 ppm2  3.12 volume   6.10e+07 { 491 }
assi (((resi 19 and name HA))
   and bondedto
   ((resi 19 and name CA)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 492  ppm1  3.41 ppm2 -0.05 volume   1.17e+07 { 492 }
assi (((resi 19 and name HA))
   and bondedto
   ((resi 19 and name CA)))
   ((resi 19 and name HB#))  6.0 0.1 0.1
    peak 493  ppm1  3.41 ppm2  1.86 volume   8.81e+07 { 493 }
assi (((resi 19 and name HA))
   and bondedto
   ((resi 19 and name CA)))
   ((resi 19 and name HG1))  6.0 0.1 0.1
    peak 494  ppm1  3.41 ppm2  2.05 volume   2.60e+07 { 494 }
assi (((resi 19 and name HA))
   and bondedto
   ((resi 19 and name CA)))
   ((resi 19 and name HN))  6.0 0.1 0.1
    peak 495  ppm1  3.41 ppm2  8.28 volume   3.08e+07 { 495 }
assi (((resi 19 and name HA))
   and bondedto
   ((resi 19 and name CA)))
   ((resi 20 and name HN))  6.0 0.1 0.1
    peak 496  ppm1  3.41 ppm2  7.55 volume   1.07e+07 { 496 }
assi (((resi 19 and name HA))
   and bondedto
   ((resi 19 and name CA)))
   ((resi 21 and name HN))  6.0 0.1 0.1
    peak 497  ppm1  3.43 ppm2  8.08 volume   6.15e+06 { 497 }
assi (((resi 19 and name HA))
   and bondedto
   ((resi 19 and name CA)))
   ((resi 85 and name HE1))  6.0 0.1 0.1
    peak 498  ppm1  3.41 ppm2  7.80 volume   1.65e+07 { 498 }
assi (((resi 19 and name HB#))
   and bondedto
   ((resi 19 and name CB)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 499  ppm1  1.85 ppm2 -0.04 volume   4.68e+06 { 499 }
assi (((resi 19 and name HB#))
   and bondedto
   ((resi 19 and name CB)))
   ((resi 19 and name HA))  6.0 0.1 0.1
    peak 500  ppm1  1.86 ppm2  3.41 volume   4.34e+07 { 500 }
assi (((resi 19 and name HB#))
   and bondedto
   ((resi 19 and name CB)))
   ((resi 19 and name HG1))  6.0 0.1 0.1
    peak 501  ppm1  1.86 ppm2  2.06 volume   1.27e+09 { 501 }
assi (((resi 19 and name HB#))
   and bondedto
   ((resi 19 and name CB)))
   ((resi 19 and name HN))  6.0 0.1 0.1
    peak 502  ppm1  1.86 ppm2  8.28 volume   3.45e+07 { 502 }
assi (((resi 19 and name HB#))
   and bondedto
   ((resi 19 and name CB)))
   ((resi 20 and name HN))  6.0 0.1 0.1
    peak 503  ppm1  1.85 ppm2  7.56 volume   5.31e+06 { 503 }
assi (((resi 19 and name HG1))
   and bondedto
   ((resi 19 and name CG)))
   ((resi 19 and name HA))  6.0 0.1 0.1
    peak 504  ppm1  2.04 ppm2  3.42 volume   3.87e+06 { 504 }
assi (((resi 19 and name HG1))
   and bondedto
   ((resi 19 and name CG)))
   ((resi 19 and name HB#))  6.0 0.1 0.1
    peak 505  ppm1  2.04 ppm2  1.86 volume   2.75e+08 { 505 }
assi (((resi 19 and name HG2))
   and bondedto
   ((resi 19 and name CG)))
   ((resi 19 and name HB#))  6.0 0.1 0.1
    peak 506  ppm1  2.09 ppm2  1.86 volume   3.02e+08 { 506 }
assi (((resi 19 and name HG1))
   and bondedto
   ((resi 19 and name CG)))
   ((resi 19 and name HN))  6.0 0.1 0.1
    peak 507  ppm1  2.04 ppm2  8.29 volume   5.32e+06 { 507 }
assi (((resi 19 and name HG2))
   and bondedto
   ((resi 19 and name CG)))
   ((resi 19 and name HN))  6.0 0.1 0.1
    peak 508  ppm1  2.12 ppm2  8.28 volume   5.36e+06 { 508 }
assi (((resi 20 and name HA))
   and bondedto
   ((resi 20 and name CA)))
   ((resi 20 and name HB1))  6.0 0.1 0.1
    peak 509  ppm1  4.41 ppm2  2.13 volume   6.55e+08 { 509 }
assi (((resi 20 and name HA))
   and bondedto
   ((resi 20 and name CA)))
   ((resi 20 and name HB2))  6.0 0.1 0.1
    peak 510  ppm1  4.41 ppm2  1.97 volume   6.51e+08 { 510 }
assi (((resi 20 and name HA))
   and bondedto
   ((resi 20 and name CA)))
   ((resi 20 and name HG2))  6.0 0.1 0.1
    peak 511  ppm1  4.41 ppm2  1.43 volume   3.75e+08 { 511 }
assi (((resi 20 and name HA))
   and bondedto
   ((resi 20 and name CA)))
   ((resi 20 and name HN))  6.0 0.1 0.1
    peak 512  ppm1  4.41 ppm2  7.54 volume   1.95e+07 { 512 }
assi (((resi 20 and name HA))
   and bondedto
   ((resi 20 and name CA)))
   ((resi 21 and name HN))  6.0 0.1 0.1
    peak 513  ppm1  4.40 ppm2  8.07 volume   7.12e+06 { 513 }
assi (((resi 20 and name HB1))
   and bondedto
   ((resi 20 and name CB)))
   ((resi 20 and name HA))  6.0 0.1 0.1
    peak 514  ppm1  2.13 ppm2  4.41 volume   2.73e+08 { 514 }
assi (((resi 20 and name HB2))
   and bondedto
   ((resi 20 and name CB)))
   ((resi 20 and name HA))  6.0 0.1 0.1
    peak 515  ppm1  1.95 ppm2  4.41 volume   1.78e+08 { 515 }
assi (((resi 20 and name HB1))
   and bondedto
   ((resi 20 and name CB)))
   ((resi 20 and name HD2))  6.0 0.1 0.1
    peak 516  ppm1  2.12 ppm2  1.70 volume   1.57e+08 { 516 }
assi (((resi 20 and name HB1))
   and bondedto
   ((resi 20 and name CB)))
   ((resi 20 and name HG2))  6.0 0.1 0.1
    peak 517  ppm1  2.12 ppm2  1.44 volume   1.92e+08 { 517 }
assi (((resi 20 and name HB1))
   and bondedto
   ((resi 20 and name CB)))
   ((resi 20 and name HN))  6.0 0.1 0.1
    peak 518  ppm1  2.12 ppm2  7.54 volume   1.34e+07 { 518 }
assi (((resi 20 and name HB1))
   and bondedto
   ((resi 20 and name CB)))
   ((resi 21 and name HD1))  6.0 0.1 0.1
    peak 519  ppm1  2.12 ppm2  6.90 volume   2.27e+07 { 519 }
assi (((resi 20 and name HB2))
   and bondedto
   ((resi 20 and name CB)))
   ((resi 21 and name HD1))  6.0 0.1 0.1
    peak 520  ppm1  1.95 ppm2  6.90 volume   2.19e+07 { 520 }
assi (((resi 20 and name HB1))
   and bondedto
   ((resi 20 and name CB)))
   ((resi 21 and name HN))  6.0 0.1 0.1
    peak 521  ppm1  2.12 ppm2  8.08 volume   3.50e+06 { 521 }
assi (((resi 20 and name HD1))
   and bondedto
   ((resi 20 and name CD)))
   ((resi 17 and name HA))  6.0 0.1 0.1
    peak 522  ppm1  1.72 ppm2  3.98 volume   1.09e+07 { 522 }
assi (((resi 20 and name HD2))
   and bondedto
   ((resi 20 and name CD)))
   ((resi 20 and name HA))  6.0 0.1 0.1
    peak 523  ppm1  1.71 ppm2  4.42 volume   1.67e+07 { 523 }
assi (((resi 20 and name HD2))
   and bondedto
   ((resi 20 and name CD)))
   ((resi 20 and name HE#))  6.0 0.1 0.1
    peak 524  ppm1  1.70 ppm2  3.02 volume   3.79e+07 { 524 }
assi (((resi 20 and name HE#))
   and bondedto
   ((resi 20 and name CE)))
   ((resi 17 and name HA))  6.0 0.1 0.1
    peak 525  ppm1  3.03 ppm2  3.99 volume   8.64e+07 { 525 }
assi (((resi 20 and name HE#))
   and bondedto
   ((resi 20 and name CE)))
   ((resi 20 and name HA))  6.0 0.1 0.1
    peak 526  ppm1  3.03 ppm2  4.40 volume   5.67e+07 { 526 }
assi (((resi 20 and name HE#))
   and bondedto
   ((resi 20 and name CE)))
   ((resi 20 and name HB1))  6.0 0.1 0.1
    peak 527  ppm1  3.03 ppm2  2.11 volume   8.35e+07 { 527 }
assi (((resi 20 and name HE#))
   and bondedto
   ((resi 20 and name CE)))
   ((resi 20 and name HD2))  6.0 0.1 0.1
    peak 528  ppm1  3.03 ppm2  1.71 volume   7.76e+08 { 528 }
assi (((resi 20 and name HE#))
   and bondedto
   ((resi 20 and name CE)))
   ((resi 20 and name HG2))  6.0 0.1 0.1
    peak 529  ppm1  3.03 ppm2  1.45 volume   2.16e+08 { 529 }
assi (((resi 20 and name HG2))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 17 and name HA))  6.0 0.1 0.1
    peak 530  ppm1  1.46 ppm2  3.98 volume   6.78e+06 { 530 }
assi (((resi 20 and name HG2))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 17 and name HA))  6.0 0.1 0.1
    peak 531  ppm1  1.41 ppm2  3.98 volume   6.53e+06 { 531 }
assi (((resi 20 and name HG1))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 20 and name HA))  6.0 0.1 0.1
    peak 532  ppm1  1.47 ppm2  4.41 volume   1.72e+07 { 532 }
assi (((resi 20 and name HG2))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 20 and name HA))  6.0 0.1 0.1
    peak 533  ppm1  1.42 ppm2  4.41 volume   1.60e+07 { 533 }
assi (((resi 20 and name HG1))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 20 and name HB1))  6.0 0.1 0.1
    peak 534  ppm1  1.47 ppm2  2.12 volume   2.99e+08 { 534 }
assi (((resi 20 and name HG2))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 20 and name HB1))  6.0 0.1 0.1
    peak 535  ppm1  1.40 ppm2  2.11 volume   2.88e+08 { 535 }
assi (((resi 20 and name HG1))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 20 and name HE#))  6.0 0.1 0.1
    peak 536  ppm1  1.47 ppm2  3.03 volume   1.02e+07 { 536 }
assi (((resi 20 and name HG2))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 20 and name HE#))  6.0 0.1 0.1
    peak 537  ppm1  1.42 ppm2  3.03 volume   9.24e+06 { 537 }
assi (((resi 20 and name HG1))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 20 and name HN))  6.0 0.1 0.1
    peak 538  ppm1  1.47 ppm2  7.55 volume   1.11e+07 { 538 }
assi (((resi 20 and name HG2))
   and bondedto
   ((resi 20 and name CG)))
   ((resi 20 and name HN))  6.0 0.1 0.1
    peak 539  ppm1  1.41 ppm2  7.54 volume   8.77e+06 { 539 }
assi (((resi 21 and name HA))
   and bondedto
   ((resi 21 and name CA)))
   ((resi 21 and name HB1))  6.0 0.1 0.1
    peak 540  ppm1  5.04 ppm2  3.71 volume   5.38e+08 { 540 }
assi (((resi 21 and name HA))
   and bondedto
   ((resi 21 and name CA)))
   ((resi 21 and name HD1))  6.0 0.1 0.1
    peak 541  ppm1  5.04 ppm2  6.90 volume   2.83e+07 { 541 }
assi (((resi 21 and name HA))
   and bondedto
   ((resi 21 and name CA)))
   ((resi 21 and name HN))  6.0 0.1 0.1
    peak 542  ppm1  5.03 ppm2  8.08 volume   1.31e+07 { 542 }
assi (((resi 21 and name HA))
   and bondedto
   ((resi 21 and name CA)))
   ((resi 22 and name HD1))  6.0 0.1 0.1
    peak 543  ppm1  5.04 ppm2  4.10 volume   3.59e+07 { 543 }
assi (((resi 21 and name HA))
   and bondedto
   ((resi 21 and name CA)))
   ((resi 22 and name HG2))  6.0 0.1 0.1
    peak 544  ppm1  5.04 ppm2  1.24 volume   7.43e+06 { 544 }
assi (((resi 21 and name HB1))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 21 and name HA))  6.0 0.1 0.1
    peak 545  ppm1  3.71 ppm2  5.03 volume   6.09e+06 { 545 }
assi (((resi 21 and name HB2))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 21 and name HA))  6.0 0.1 0.1
    peak 546  ppm1  3.52 ppm2  5.06 volume   7.10e+06 { 546 }
assi (((resi 21 and name HB2))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 21 and name HB1))  6.0 0.1 0.1
    peak 547  ppm1  3.52 ppm2  3.71 volume   1.79e+07 { 547 }
assi (((resi 21 and name HB1))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 21 and name HB2))  6.0 0.1 0.1
    peak 548  ppm1  3.68 ppm2  3.52 volume   1.18e+07 { 548 }
assi (((resi 21 and name HB1))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 21 and name HE3))  6.0 0.1 0.1
    peak 549  ppm1  3.70 ppm2  7.10 volume   5.64e+06 { 549 }
assi (((resi 21 and name HB2))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 21 and name HE3))  6.0 0.1 0.1
    peak 550  ppm1  3.50 ppm2  7.11 volume   4.57e+06 { 550 }
assi (((resi 21 and name HB1))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 21 and name HN))  6.0 0.1 0.1
    peak 551  ppm1  3.69 ppm2  8.09 volume   7.75e+06 { 551 }
assi (((resi 21 and name HB2))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 21 and name HN))  6.0 0.1 0.1
    peak 552  ppm1  3.51 ppm2  8.08 volume   3.91e+06 { 552 }
assi (((resi 21 and name HB1))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 22 and name HD1))  6.0 0.1 0.1
    peak 553  ppm1  3.70 ppm2  4.09 volume   4.21e+07 { 553 }
assi (((resi 21 and name HB2))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 22 and name HD1))  6.0 0.1 0.1
    peak 554  ppm1  3.53 ppm2  4.10 volume   2.65e+07 { 554 }
assi (((resi 21 and name HB1))
   and bondedto
   ((resi 21 and name CB)))
   ((resi 86 and name HN))  6.0 0.1 0.1
    peak 555  ppm1  3.71 ppm2  9.17 volume   4.25e+07 { 555 }
assi (((resi 22 and name HB1))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 22 and name HA))  6.0 0.1 0.1
    peak 556  ppm1  2.37 ppm2  4.64 volume   4.10e+08 { 556 }
assi (((resi 22 and name HB2))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 22 and name HB1))  6.0 0.1 0.1
    peak 557  ppm1  1.88 ppm2  2.36 volume   9.80e+08 { 557 }
assi (((resi 22 and name HB1))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 22 and name HB2))  6.0 0.1 0.1
    peak 558  ppm1  2.37 ppm2  1.90 volume   5.64e+08 { 558 }
assi (((resi 22 and name HB1))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 22 and name HD1))  6.0 0.1 0.1
    peak 559  ppm1  2.37 ppm2  4.11 volume   9.51e+06 { 559 }
assi (((resi 22 and name HB1))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 22 and name HD2))  6.0 0.1 0.1
    peak 560  ppm1  2.37 ppm2  3.71 volume   1.07e+07 { 560 }
assi (((resi 22 and name HB1))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 22 and name HG2))  6.0 0.1 0.1
    peak 561  ppm1  2.37 ppm2  1.25 volume   1.41e+07 { 561 }
assi (((resi 22 and name HB1))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 23 and name HN))  6.0 0.1 0.1
    peak 562  ppm1  2.37 ppm2  8.20 volume   1.57e+07 { 562 }
assi (((resi 22 and name HB2))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 23 and name HN))  6.0 0.1 0.1
    peak 563  ppm1  1.88 ppm2  8.20 volume   1.62e+07 { 563 }
assi (((resi 22 and name HB1))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 564  ppm1  2.38 ppm2  6.65 volume   6.27e+06 { 564 }
assi (((resi 22 and name HB2))
   and bondedto
   ((resi 22 and name CB)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 565  ppm1  1.88 ppm2  6.66 volume   1.05e+07 { 565 }
assi (((resi 22 and name HD1))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 21 and name HA))  6.0 0.1 0.1
    peak 566  ppm1  4.10 ppm2  5.04 volume   2.43e+07 { 566 }
assi (((resi 22 and name HD2))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 21 and name HA))  6.0 0.1 0.1
    peak 567  ppm1  3.71 ppm2  5.04 volume   2.99e+07 { 567 }
assi (((resi 22 and name HD1))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 21 and name HD1))  6.0 0.1 0.1
    peak 568  ppm1  4.09 ppm2  6.88 volume   7.05e+06 { 568 }
assi (((resi 22 and name HD2))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 21 and name HD1))  6.0 0.1 0.1
    peak 569  ppm1  3.69 ppm2  6.88 volume   3.32e+06 { 569 }
assi (((resi 22 and name HD1))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HA))  6.0 0.1 0.1
    peak 570  ppm1  4.09 ppm2  4.66 volume   6.63e+06 { 570 }
assi (((resi 22 and name HD2))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HA))  6.0 0.1 0.1
    peak 571  ppm1  3.70 ppm2  4.64 volume   1.20e+07 { 571 }
assi (((resi 22 and name HD1))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HB1))  6.0 0.1 0.1
    peak 572  ppm1  4.10 ppm2  2.37 volume   5.66e+06 { 572 }
assi (((resi 22 and name HD2))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HB1))  6.0 0.1 0.1
    peak 573  ppm1  3.70 ppm2  2.37 volume   8.25e+06 { 573 }
assi (((resi 22 and name HD2))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HD1))  6.0 0.1 0.1
    peak 574  ppm1  3.71 ppm2  4.10 volume   5.09e+08 { 574 }
assi (((resi 22 and name HD1))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HD2))  6.0 0.1 0.1
    peak 575  ppm1  4.10 ppm2  3.71 volume   6.29e+08 { 575 }
assi (((resi 22 and name HD1))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HG1))  6.0 0.1 0.1
    peak 576  ppm1  4.10 ppm2  1.78 volume   1.46e+07 { 576 }
assi (((resi 22 and name HD2))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HG1))  6.0 0.1 0.1
    peak 577  ppm1  3.72 ppm2  1.76 volume   2.17e+07 { 577 }
assi (((resi 22 and name HD1))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HG2))  6.0 0.1 0.1
    peak 578  ppm1  4.10 ppm2  1.25 volume   1.52e+07 { 578 }
assi (((resi 22 and name HD2))
   and bondedto
   ((resi 22 and name CD)))
   ((resi 22 and name HG2))  6.0 0.1 0.1
    peak 579  ppm1  3.71 ppm2  1.24 volume   1.48e+07 { 579 }
assi (((resi 22 and name HG1))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 21 and name HA))  6.0 0.1 0.1
    peak 580  ppm1  1.76 ppm2  5.04 volume   9.07e+06 { 580 }
assi (((resi 22 and name HG2))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 21 and name HA))  6.0 0.1 0.1
    peak 581  ppm1  1.27 ppm2  5.05 volume   4.60e+06 { 581 }
assi (((resi 22 and name HG1))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 22 and name HA))  6.0 0.1 0.1
    peak 582  ppm1  1.75 ppm2  4.63 volume   5.91e+06 { 582 }
assi (((resi 22 and name HG2))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 22 and name HA))  6.0 0.1 0.1
    peak 583  ppm1  1.26 ppm2  4.63 volume   1.06e+07 { 583 }
assi (((resi 22 and name HG1))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 22 and name HB1))  6.0 0.1 0.1
    peak 584  ppm1  1.76 ppm2  2.37 volume   1.70e+08 { 584 }
assi (((resi 22 and name HG2))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 22 and name HB1))  6.0 0.1 0.1
    peak 585  ppm1  1.26 ppm2  2.37 volume   1.28e+08 { 585 }
assi (((resi 22 and name HG2))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 22 and name HD1))  6.0 0.1 0.1
    peak 586  ppm1  1.25 ppm2  4.10 volume   1.66e+07 { 586 }
assi (((resi 22 and name HG1))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 22 and name HD2))  6.0 0.1 0.1
    peak 587  ppm1  1.76 ppm2  3.72 volume   2.43e+07 { 587 }
assi (((resi 22 and name HG2))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 22 and name HD2))  6.0 0.1 0.1
    peak 588  ppm1  1.26 ppm2  3.71 volume   1.83e+07 { 588 }
assi (((resi 22 and name HG2))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 22 and name HG1))  6.0 0.1 0.1
    peak 589  ppm1  1.26 ppm2  1.76 volume   7.48e+08 { 589 }
assi (((resi 22 and name HG1))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 590  ppm1  1.76 ppm2  6.65 volume   5.61e+06 { 590 }
assi (((resi 22 and name HG2))
   and bondedto
   ((resi 22 and name CG)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 591  ppm1  1.26 ppm2  6.65 volume   2.73e+07 { 591 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 23 and name HD1#))  6.0 0.1 0.1
    peak 592  ppm1  5.52 ppm2  0.62 volume   1.06e+07 { 592 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 23 and name HG11))  6.0 0.1 0.1
    peak 593  ppm1  5.52 ppm2  1.65 volume   1.90e+07 { 593 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 23 and name HG12))  6.0 0.1 0.1
    peak 594  ppm1  5.52 ppm2  0.54 volume   1.37e+07 { 594 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 23 and name HG2#))  6.0 0.1 0.1
    peak 595  ppm1  5.52 ppm2  0.77 volume   2.33e+07 { 595 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 23 and name HN))  6.0 0.1 0.1
    peak 596  ppm1  5.53 ppm2  8.21 volume   1.05e+07 { 596 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 24 and name HN))  6.0 0.1 0.1
    peak 597  ppm1  5.52 ppm2  9.28 volume   3.18e+07 { 597 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 85 and name HA))  6.0 0.1 0.1
    peak 598  ppm1  5.52 ppm2  6.07 volume   1.56e+07 { 598 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 85 and name HB2))  6.0 0.1 0.1
    peak 599  ppm1  5.53 ppm2  3.12 volume   3.18e+06 { 599 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 86 and name HB2))  6.0 0.1 0.1
    peak 600  ppm1  5.52 ppm2  2.70 volume   5.41e+06 { 600 }
assi (((resi 23 and name HA))
   and bondedto
   ((resi 23 and name CA)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 601  ppm1  5.52 ppm2  6.83 volume   5.82e+06 { 601 }
assi (((resi 23 and name HB))
   and bondedto
   ((resi 23 and name CB)))
   ((resi 22 and name HA))  6.0 0.1 0.1
    peak 602  ppm1  1.67 ppm2  4.64 volume   7.68e+06 { 602 }
assi (((resi 23 and name HB))
   and bondedto
   ((resi 23 and name CB)))
   ((resi 23 and name HA))  6.0 0.1 0.1
    peak 603  ppm1  1.67 ppm2  5.52 volume   9.11e+06 { 603 }
assi (((resi 23 and name HB))
   and bondedto
   ((resi 23 and name CB)))
   ((resi 23 and name HD1#))  6.0 0.1 0.1
    peak 604  ppm1  1.67 ppm2  0.62 volume   3.06e+08 { 604 }
assi (((resi 23 and name HB))
   and bondedto
   ((resi 23 and name CB)))
   ((resi 23 and name HN))  6.0 0.1 0.1
    peak 605  ppm1  1.67 ppm2  8.20 volume   3.06e+07 { 605 }
assi (((resi 23 and name HB))
   and bondedto
   ((resi 23 and name CB)))
   ((resi 24 and name HN))  6.0 0.1 0.1
    peak 606  ppm1  1.67 ppm2  9.28 volume   1.48e+07 { 606 }
assi (((resi 23 and name HD1#))
   and bondedto
   ((resi 23 and name CD1)))
   ((resi 23 and name HA))  6.0 0.1 0.1
    peak 607  ppm1  0.64 ppm2  5.52 volume   1.35e+07 { 607 }
assi (((resi 23 and name HD1#))
   and bondedto
   ((resi 23 and name CD1)))
   ((resi 23 and name HG11))  6.0 0.1 0.1
    peak 608  ppm1  0.64 ppm2  1.63 volume   1.02e+08 { 608 }
assi (((resi 23 and name HD1#))
   and bondedto
   ((resi 23 and name CD1)))
   ((resi 23 and name HG2#))  6.0 0.1 0.1
    peak 609  ppm1  0.64 ppm2  0.76 volume   1.05e+09 { 609 }
assi (((resi 23 and name HD1#))
   and bondedto
   ((resi 23 and name CD1)))
   ((resi 23 and name HN))  6.0 0.1 0.1
    peak 610  ppm1  0.63 ppm2  8.20 volume   9.76e+06 { 610 }
assi (((resi 23 and name HD1#))
   and bondedto
   ((resi 23 and name CD1)))
   ((resi 24 and name HN))  6.0 0.1 0.1
    peak 611  ppm1  0.64 ppm2  9.27 volume   4.54e+06 { 611 }
assi (((resi 23 and name HD1#))
   and bondedto
   ((resi 23 and name CD1)))
   ((resi 85 and name HA))  6.0 0.1 0.1
    peak 612  ppm1  0.64 ppm2  6.07 volume   6.12e+06 { 612 }
assi (((resi 23 and name HD1#))
   and bondedto
   ((resi 23 and name CD1)))
   ((resi 85 and name HB2))  6.0 0.1 0.1
    peak 613  ppm1  0.64 ppm2  3.16 volume   7.89e+06 { 613 }
assi (((resi 23 and name HD1#))
   and bondedto
   ((resi 23 and name CD1)))
   ((resi 85 and name HE1))  6.0 0.1 0.1
    peak 614  ppm1  0.64 ppm2  7.79 volume   2.33e+07 { 614 }
assi (((resi 23 and name HG11))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HA))  6.0 0.1 0.1
    peak 615  ppm1  1.61 ppm2  5.52 volume   8.43e+06 { 615 }
assi (((resi 23 and name HG12))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HA))  6.0 0.1 0.1
    peak 616  ppm1  0.54 ppm2  5.53 volume   1.05e+07 { 616 }
assi (((resi 23 and name HG11))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HD1#))  6.0 0.1 0.1
    peak 617  ppm1  1.62 ppm2  0.62 volume   3.16e+08 { 617 }
assi (((resi 23 and name HG12))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HG11))  6.0 0.1 0.1
    peak 618  ppm1  0.54 ppm2  1.62 volume   6.20e+07 { 618 }
assi (((resi 23 and name HG11))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HG12))  6.0 0.1 0.1
    peak 619  ppm1  1.62 ppm2  0.54 volume   5.52e+08 { 619 }
assi (((resi 23 and name HG11))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HG2#))  6.0 0.1 0.1
    peak 620  ppm1  1.62 ppm2  0.77 volume   3.65e+08 { 620 }
assi (((resi 23 and name HG12))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HG2#))  6.0 0.1 0.1
    peak 621  ppm1  0.54 ppm2  0.77 volume   2.35e+08 { 621 }
assi (((resi 23 and name HG11))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HN))  6.0 0.1 0.1
    peak 622  ppm1  1.62 ppm2  8.20 volume   1.38e+07 { 622 }
assi (((resi 23 and name HG12))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 23 and name HN))  6.0 0.1 0.1
    peak 623  ppm1  0.54 ppm2  8.20 volume   5.70e+06 { 623 }
assi (((resi 23 and name HG12))
   and bondedto
   ((resi 23 and name CG1)))
   ((resi 24 and name HN))  6.0 0.1 0.1
    peak 624  ppm1  0.54 ppm2  9.28 volume   2.15e+07 { 624 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 23 and name HA))  6.0 0.1 0.1
    peak 625  ppm1  0.77 ppm2  5.52 volume   3.17e+07 { 625 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 23 and name HG11))  6.0 0.1 0.1
    peak 626  ppm1  0.77 ppm2  1.65 volume   9.11e+08 { 626 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 23 and name HN))  6.0 0.1 0.1
    peak 627  ppm1  0.77 ppm2  8.20 volume   1.31e+07 { 627 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 24 and name HA))  6.0 0.1 0.1
    peak 628  ppm1  0.77 ppm2  5.01 volume   6.20e+06 { 628 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 24 and name HB2))  6.0 0.1 0.1
    peak 629  ppm1  0.77 ppm2  3.16 volume   1.32e+07 { 629 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 24 and name HN))  6.0 0.1 0.1
    peak 630  ppm1  0.77 ppm2  9.27 volume   3.03e+07 { 630 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 25 and name HA))  6.0 0.1 0.1
    peak 631  ppm1  0.77 ppm2  5.28 volume   1.31e+07 { 631 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 25 and name HG1))  6.0 0.1 0.1
    peak 632  ppm1  0.77 ppm2  2.09 volume   1.32e+08 { 632 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 84 and name HN))  6.0 0.1 0.1
    peak 633  ppm1  0.77 ppm2  9.81 volume   9.20e+07 { 633 }
assi (((resi 23 and name HG2#))
   and bondedto
   ((resi 23 and name CG2)))
   ((resi 85 and name HA))  6.0 0.1 0.1
    peak 634  ppm1  0.76 ppm2  6.06 volume   6.99e+06 { 634 }
assi (((resi 24 and name HA))
   and bondedto
   ((resi 24 and name CA)))
   ((resi 23 and name HG2#))  6.0 0.1 0.1
    peak 635  ppm1  5.00 ppm2  0.78 volume   5.39e+06 { 635 }
assi (((resi 24 and name HA))
   and bondedto
   ((resi 24 and name CA)))
   ((resi 24 and name HB1))  6.0 0.1 0.1
    peak 636  ppm1  4.99 ppm2  2.72 volume   1.25e+08 { 636 }
assi (((resi 24 and name HA))
   and bondedto
   ((resi 24 and name CA)))
   ((resi 24 and name HD1))  6.0 0.1 0.1
    peak 637  ppm1  4.99 ppm2  7.27 volume   3.13e+07 { 637 }
assi (((resi 24 and name HA))
   and bondedto
   ((resi 24 and name CA)))
   ((resi 24 and name HN))  6.0 0.1 0.1
    peak 638  ppm1  4.99 ppm2  9.29 volume   8.42e+07 { 638 }
assi (((resi 24 and name HA))
   and bondedto
   ((resi 24 and name CA)))
   ((resi 25 and name HB#))  6.0 0.1 0.1
    peak 639  ppm1  5.00 ppm2  1.81 volume   6.36e+06 { 639 }
assi (((resi 24 and name HA))
   and bondedto
   ((resi 24 and name CA)))
   ((resi 25 and name HN))  6.0 0.1 0.1
    peak 640  ppm1  4.99 ppm2  7.90 volume   4.51e+08 { 640 }
assi (((resi 24 and name HB1))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HA))  6.0 0.1 0.1
    peak 641  ppm1  2.73 ppm2  4.99 volume   5.05e+06 { 641 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HA))  6.0 0.1 0.1
    peak 642  ppm1  3.15 ppm2  5.00 volume   8.01e+06 { 642 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HB1))  6.0 0.1 0.1
    peak 643  ppm1  3.15 ppm2  2.72 volume   1.50e+07 { 643 }
assi (((resi 24 and name HB1))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HB2))  6.0 0.1 0.1
    peak 644  ppm1  2.73 ppm2  3.16 volume   1.38e+07 { 644 }
assi (((resi 24 and name HB1))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HD1))  6.0 0.1 0.1
    peak 645  ppm1  2.71 ppm2  7.28 volume   3.02e+06 { 645 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HD1))  6.0 0.1 0.1
    peak 646  ppm1  3.16 ppm2  7.28 volume   4.10e+06 { 646 }
assi (((resi 24 and name HB1))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HE3))  6.0 0.1 0.1
    peak 647  ppm1  2.72 ppm2  6.65 volume   5.46e+06 { 647 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HE3))  6.0 0.1 0.1
    peak 648  ppm1  3.16 ppm2  6.66 volume   9.20e+06 { 648 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HH2))  6.0 0.1 0.1
    peak 649  ppm1  3.15 ppm2  7.07 volume   4.08e+06 { 649 }
assi (((resi 24 and name HB1))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HN))  6.0 0.1 0.1
    peak 650  ppm1  2.73 ppm2  9.27 volume   3.18e+06 { 650 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 24 and name HN))  6.0 0.1 0.1
    peak 651  ppm1  3.15 ppm2  9.28 volume   4.88e+06 { 651 }
assi (((resi 24 and name HB1))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 84 and name HG1))  6.0 0.1 0.1
    peak 652  ppm1  2.73 ppm2  2.08 volume   3.70e+06 { 652 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 84 and name HG1))  6.0 0.1 0.1
    peak 653  ppm1  3.17 ppm2  2.08 volume   4.00e+06 { 653 }
assi (((resi 24 and name HB1))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 654  ppm1  2.75 ppm2  1.36 volume   1.40e+07 { 654 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 655  ppm1  3.14 ppm2  1.36 volume   2.91e+07 { 655 }
assi (((resi 24 and name HB1))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 656  ppm1  2.71 ppm2  6.83 volume   3.32e+06 { 656 }
assi (((resi 24 and name HB2))
   and bondedto
   ((resi 24 and name CB)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 657  ppm1  3.15 ppm2  6.82 volume   4.90e+06 { 657 }
assi (((resi 25 and name HA))
   and bondedto
   ((resi 25 and name CA)))
   ((resi 25 and name HB#))  6.0 0.1 0.1
    peak 658  ppm1  5.26 ppm2  1.81 volume   3.80e+08 { 658 }
assi (((resi 25 and name HA))
   and bondedto
   ((resi 25 and name CA)))
   ((resi 25 and name HG2))  6.0 0.1 0.1
    peak 659  ppm1  5.26 ppm2  2.04 volume   1.96e+08 { 659 }
assi (((resi 25 and name HA))
   and bondedto
   ((resi 25 and name CA)))
   ((resi 25 and name HN))  6.0 0.1 0.1
    peak 660  ppm1  5.26 ppm2  7.92 volume   1.15e+07 { 660 }
assi (((resi 25 and name HA))
   and bondedto
   ((resi 25 and name CA)))
   ((resi 26 and name HB1))  6.0 0.1 0.1
    peak 661  ppm1  5.26 ppm2  1.33 volume   7.73e+07 { 661 }
assi (((resi 25 and name HA))
   and bondedto
   ((resi 25 and name CA)))
   ((resi 26 and name HN))  6.0 0.1 0.1
    peak 662  ppm1  5.26 ppm2  8.15 volume   5.33e+07 { 662 }
assi (((resi 25 and name HA))
   and bondedto
   ((resi 25 and name CA)))
   ((resi 84 and name HN))  6.0 0.1 0.1
    peak 663  ppm1  5.26 ppm2  9.83 volume   6.66e+06 { 663 }
assi (((resi 25 and name HB#))
   and bondedto
   ((resi 25 and name CB)))
   ((resi 25 and name HA))  6.0 0.1 0.1
    peak 664  ppm1  1.82 ppm2  5.27 volume   2.01e+07 { 664 }
assi (((resi 25 and name HB#))
   and bondedto
   ((resi 25 and name CB)))
   ((resi 25 and name HG2))  6.0 0.1 0.1
    peak 665  ppm1  1.82 ppm2  2.03 volume   4.12e+08 { 665 }
assi (((resi 25 and name HB#))
   and bondedto
   ((resi 25 and name CB)))
   ((resi 25 and name HN))  6.0 0.1 0.1
    peak 666  ppm1  1.81 ppm2  7.90 volume   8.91e+06 { 666 }
assi (((resi 25 and name HB#))
   and bondedto
   ((resi 25 and name CB)))
   ((resi 26 and name HN))  6.0 0.1 0.1
    peak 667  ppm1  1.80 ppm2  8.15 volume   8.47e+06 { 667 }
assi (((resi 25 and name HG1))
   and bondedto
   ((resi 25 and name CG)))
   ((resi 23 and name HG2#))  6.0 0.1 0.1
    peak 668  ppm1  2.08 ppm2  0.77 volume   8.60e+06 { 668 }
assi (((resi 25 and name HG2))
   and bondedto
   ((resi 25 and name CG)))
   ((resi 23 and name HG2#))  6.0 0.1 0.1
    peak 669  ppm1  2.00 ppm2  0.77 volume   8.06e+06 { 669 }
assi (((resi 25 and name HG1))
   and bondedto
   ((resi 25 and name CG)))
   ((resi 25 and name HA))  6.0 0.1 0.1
    peak 670  ppm1  2.07 ppm2  5.27 volume   1.14e+07 { 670 }
assi (((resi 25 and name HG2))
   and bondedto
   ((resi 25 and name CG)))
   ((resi 25 and name HA))  6.0 0.1 0.1
    peak 671  ppm1  2.00 ppm2  5.27 volume   1.20e+07 { 671 }
assi (((resi 25 and name HG1))
   and bondedto
   ((resi 25 and name CG)))
   ((resi 25 and name HN))  6.0 0.1 0.1
    peak 672  ppm1  2.07 ppm2  7.90 volume   5.90e+06 { 672 }
assi (((resi 25 and name HG2))
   and bondedto
   ((resi 25 and name CG)))
   ((resi 25 and name HN))  6.0 0.1 0.1
    peak 673  ppm1  1.99 ppm2  7.90 volume   6.09e+06 { 673 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 26 and name HB2))  6.0 0.1 0.1
    peak 674  ppm1  3.88 ppm2  0.19 volume   1.76e+07 { 674 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 26 and name HD1))  6.0 0.1 0.1
    peak 675  ppm1  3.88 ppm2  1.57 volume   2.35e+07 { 675 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 26 and name HD2))  6.0 0.1 0.1
    peak 676  ppm1  3.88 ppm2  1.09 volume   1.52e+07 { 676 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 26 and name HG1))  6.0 0.1 0.1
    peak 677  ppm1  3.88 ppm2  1.76 volume   1.25e+07 { 677 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 26 and name HG2))  6.0 0.1 0.1
    peak 678  ppm1  3.88 ppm2  1.26 volume   1.74e+07 { 678 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 26 and name HN))  6.0 0.1 0.1
    peak 679  ppm1  3.87 ppm2  8.16 volume   1.15e+07 { 679 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 27 and name HA))  6.0 0.1 0.1
    peak 680  ppm1  3.89 ppm2  4.21 volume   4.00e+07 { 680 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 681  ppm1  3.88 ppm2  8.67 volume   4.81e+07 { 681 }
assi (((resi 26 and name HA))
   and bondedto
   ((resi 26 and name CA)))
   ((resi 82 and name HB))  6.0 0.1 0.1
    peak 682  ppm1  3.88 ppm2  2.15 volume   9.54e+06 { 682 }
assi (((resi 26 and name HB1))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 24 and name HE3))  6.0 0.1 0.1
    peak 683  ppm1  1.29 ppm2  6.68 volume   4.62e+06 { 683 }
assi (((resi 26 and name HB2))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 24 and name HE3))  6.0 0.1 0.1
    peak 684  ppm1  0.21 ppm2  6.68 volume   3.92e+06 { 684 }
assi (((resi 26 and name HB1))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 685  ppm1  1.29 ppm2  3.87 volume   7.26e+06 { 685 }
assi (((resi 26 and name HB2))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 686  ppm1  0.20 ppm2  3.88 volume   9.85e+06 { 686 }
assi (((resi 26 and name HB2))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HB1))  6.0 0.1 0.1
    peak 687  ppm1  0.20 ppm2  1.28 volume   3.59e+07 { 687 }
assi (((resi 26 and name HB1))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HB2))  6.0 0.1 0.1
    peak 688  ppm1  1.29 ppm2  0.19 volume   2.95e+07 { 688 }
assi (((resi 26 and name HB1))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HD1))  6.0 0.1 0.1
    peak 689  ppm1  1.28 ppm2  1.57 volume   3.76e+06 { 689 }
assi (((resi 26 and name HB2))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HD1))  6.0 0.1 0.1
    peak 690  ppm1  0.19 ppm2  1.57 volume   6.18e+06 { 690 }
assi (((resi 26 and name HB1))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HG1))  6.0 0.1 0.1
    peak 691  ppm1  1.28 ppm2  1.75 volume   8.41e+06 { 691 }
assi (((resi 26 and name HB2))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HG1))  6.0 0.1 0.1
    peak 692  ppm1  0.20 ppm2  1.75 volume   7.61e+06 { 692 }
assi (((resi 26 and name HB1))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HN))  6.0 0.1 0.1
    peak 693  ppm1  1.28 ppm2  8.15 volume   5.01e+06 { 693 }
assi (((resi 26 and name HB2))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 26 and name HN))  6.0 0.1 0.1
    peak 694  ppm1  0.20 ppm2  8.15 volume   6.69e+06 { 694 }
assi (((resi 26 and name HB1))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 695  ppm1  1.30 ppm2  8.67 volume   3.90e+06 { 695 }
assi (((resi 26 and name HB2))
   and bondedto
   ((resi 26 and name CB)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 696  ppm1  0.21 ppm2  8.66 volume   3.86e+06 { 696 }
assi (((resi 26 and name HD1))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 697  ppm1  1.57 ppm2  3.88 volume   1.79e+07 { 697 }
assi (((resi 26 and name HD2))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 698  ppm1  1.10 ppm2  3.88 volume   1.37e+07 { 698 }
assi (((resi 26 and name HD1))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HB2))  6.0 0.1 0.1
    peak 699  ppm1  1.57 ppm2  0.19 volume   6.96e+06 { 699 }
assi (((resi 26 and name HD2))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HB2))  6.0 0.1 0.1
    peak 700  ppm1  1.09 ppm2  0.20 volume   9.00e+06 { 700 }
assi (((resi 26 and name HD2))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HD1))  6.0 0.1 0.1
    peak 701  ppm1  1.09 ppm2  1.57 volume   4.48e+08 { 701 }
assi (((resi 26 and name HD1))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HD2))  6.0 0.1 0.1
    peak 702  ppm1  1.57 ppm2  1.09 volume   4.05e+08 { 702 }
assi (((resi 26 and name HD1))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HE1))  6.0 0.1 0.1
    peak 703  ppm1  1.57 ppm2  2.53 volume   9.45e+06 { 703 }
assi (((resi 26 and name HD2))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HE1))  6.0 0.1 0.1
    peak 704  ppm1  1.09 ppm2  2.54 volume   1.19e+07 { 704 }
assi (((resi 26 and name HD1))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HE2))  6.0 0.1 0.1
    peak 705  ppm1  1.57 ppm2  2.36 volume   8.10e+07 { 705 }
assi (((resi 26 and name HD2))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HE2))  6.0 0.1 0.1
    peak 706  ppm1  1.09 ppm2  2.37 volume   7.12e+07 { 706 }
assi (((resi 26 and name HD2))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 26 and name HG1))  6.0 0.1 0.1
    peak 707  ppm1  1.09 ppm2  1.75 volume   1.42e+08 { 707 }
assi (((resi 26 and name HD1))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 708  ppm1  1.57 ppm2  8.67 volume   1.04e+07 { 708 }
assi (((resi 26 and name HD2))
   and bondedto
   ((resi 26 and name CD)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 709  ppm1  1.09 ppm2  8.66 volume   6.50e+06 { 709 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 710  ppm1  2.54 ppm2  3.88 volume   1.31e+07 { 710 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 711  ppm1  2.37 ppm2  3.88 volume   4.81e+06 { 711 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HD1))  6.0 0.1 0.1
    peak 712  ppm1  2.54 ppm2  1.57 volume   1.61e+07 { 712 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HD1))  6.0 0.1 0.1
    peak 713  ppm1  2.37 ppm2  1.57 volume   1.46e+07 { 713 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HD2))  6.0 0.1 0.1
    peak 714  ppm1  2.54 ppm2  1.09 volume   2.02e+07 { 714 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HD2))  6.0 0.1 0.1
    peak 715  ppm1  2.37 ppm2  1.09 volume   1.58e+07 { 715 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HE1))  6.0 0.1 0.1
    peak 716  ppm1  2.37 ppm2  2.54 volume   8.81e+08 { 716 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HE2))  6.0 0.1 0.1
    peak 717  ppm1  2.54 ppm2  2.37 volume   8.63e+08 { 717 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HG1))  6.0 0.1 0.1
    peak 718  ppm1  2.54 ppm2  1.75 volume   1.10e+07 { 718 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HG1))  6.0 0.1 0.1
    peak 719  ppm1  2.37 ppm2  1.75 volume   1.12e+07 { 719 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HG2))  6.0 0.1 0.1
    peak 720  ppm1  2.54 ppm2  1.21 volume   1.31e+07 { 720 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 26 and name HG2))  6.0 0.1 0.1
    peak 721  ppm1  2.37 ppm2  1.23 volume   1.26e+07 { 721 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 722  ppm1  2.54 ppm2  8.68 volume   2.95e+06 { 722 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 723  ppm1  2.38 ppm2  8.67 volume   2.18e+06 { 723 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 31 and name HD#))  6.0 0.1 0.1
    peak 724  ppm1  2.54 ppm2  7.12 volume   5.23e+06 { 724 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 31 and name HD#))  6.0 0.1 0.1
    peak 725  ppm1  2.38 ppm2  7.12 volume   3.54e+06 { 725 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 31 and name HE#))  6.0 0.1 0.1
    peak 726  ppm1  2.54 ppm2  6.82 volume   4.90e+06 { 726 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 31 and name HE#))  6.0 0.1 0.1
    peak 727  ppm1  2.38 ppm2  6.82 volume   6.07e+06 { 727 }
assi (((resi 26 and name HE1))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 31 and name HZ))  6.0 0.1 0.1
    peak 728  ppm1  2.54 ppm2  6.70 volume   6.18e+06 { 728 }
assi (((resi 26 and name HE2))
   and bondedto
   ((resi 26 and name CE)))
   ((resi 31 and name HZ))  6.0 0.1 0.1
    peak 729  ppm1  2.38 ppm2  6.71 volume   3.77e+06 { 729 }
assi (((resi 26 and name HG1))
   and bondedto
   ((resi 26 and name CG)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 730  ppm1  1.76 ppm2  3.88 volume   6.68e+07 { 730 }
assi (((resi 26 and name HG2))
   and bondedto
   ((resi 26 and name CG)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 731  ppm1  1.20 ppm2  3.88 volume   4.84e+06 { 731 }
assi (((resi 26 and name HG1))
   and bondedto
   ((resi 26 and name CG)))
   ((resi 26 and name HB2))  6.0 0.1 0.1
    peak 732  ppm1  1.75 ppm2  0.19 volume   8.05e+06 { 732 }
assi (((resi 26 and name HG2))
   and bondedto
   ((resi 26 and name CG)))
   ((resi 26 and name HB2))  6.0 0.1 0.1
    peak 733  ppm1  1.23 ppm2  0.19 volume   7.08e+06 { 733 }
assi (((resi 26 and name HG1))
   and bondedto
   ((resi 26 and name CG)))
   ((resi 26 and name HE2))  6.0 0.1 0.1
    peak 734  ppm1  1.75 ppm2  2.37 volume   4.76e+07 { 734 }
assi (((resi 26 and name HG2))
   and bondedto
   ((resi 26 and name CG)))
   ((resi 26 and name HE2))  6.0 0.1 0.1
    peak 735  ppm1  1.21 ppm2  2.36 volume   2.72e+07 { 735 }
assi (((resi 26 and name HG1))
   and bondedto
   ((resi 26 and name CG)))
   ((resi 26 and name HG2))  6.0 0.1 0.1
    peak 736  ppm1  1.75 ppm2  1.20 volume   3.72e+08 { 736 }
assi (((resi 26 and name HG1))
   and bondedto
   ((resi 26 and name CG)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 737  ppm1  1.76 ppm2  8.67 volume   6.54e+06 { 737 }
assi (((resi 27 and name HA))
   and bondedto
   ((resi 27 and name CA)))
   ((resi 27 and name HB#))  6.0 0.1 0.1
    peak 738  ppm1  4.21 ppm2  2.15 volume   7.14e+08 { 738 }
assi (((resi 27 and name HA))
   and bondedto
   ((resi 27 and name CA)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 739  ppm1  4.21 ppm2  8.67 volume   1.70e+07 { 739 }
assi (((resi 27 and name HA))
   and bondedto
   ((resi 27 and name CA)))
   ((resi 28 and name HB))  6.0 0.1 0.1
    peak 740  ppm1  4.21 ppm2  1.95 volume   1.89e+08 { 740 }
assi (((resi 27 and name HA))
   and bondedto
   ((resi 27 and name CA)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 741  ppm1  4.21 ppm2  8.05 volume   4.09e+07 { 741 }
assi (((resi 27 and name HA))
   and bondedto
   ((resi 27 and name CA)))
   ((resi 82 and name HG2#))  6.0 0.1 0.1
    peak 742  ppm1  4.21 ppm2  1.34 volume   3.28e+08 { 742 }
assi (((resi 27 and name HA))
   and bondedto
   ((resi 27 and name CA)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 743  ppm1  4.22 ppm2  8.41 volume   6.54e+06 { 743 }
assi (((resi 27 and name HB#))
   and bondedto
   ((resi 27 and name CB)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 744  ppm1  2.14 ppm2  8.66 volume   1.90e+07 { 744 }
assi (((resi 27 and name HB#))
   and bondedto
   ((resi 27 and name CB)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 745  ppm1  2.14 ppm2  8.04 volume   4.82e+07 { 745 }
assi (((resi 27 and name HG1))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 746  ppm1  2.40 ppm2  3.88 volume   3.91e+06 { 746 }
assi (((resi 27 and name HG2))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 26 and name HA))  6.0 0.1 0.1
    peak 747  ppm1  2.20 ppm2  3.89 volume   2.09e+07 { 747 }
assi (((resi 27 and name HG1))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 27 and name HA))  6.0 0.1 0.1
    peak 748  ppm1  2.41 ppm2  4.22 volume   1.56e+07 { 748 }
assi (((resi 27 and name HG2))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 27 and name HA))  6.0 0.1 0.1
    peak 749  ppm1  2.19 ppm2  4.22 volume   8.95e+07 { 749 }
assi (((resi 27 and name HG2))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 27 and name HA))  6.0 0.1 0.1
    peak 750  ppm1  2.19 ppm2  4.22 volume   9.82e+07 { 750 }
assi (((resi 27 and name HG1))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 27 and name HB#))  6.0 0.1 0.1
    peak 751  ppm1  2.42 ppm2  2.16 volume   1.48e+09 { 751 }
assi (((resi 27 and name HG2))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 27 and name HG1))  6.0 0.1 0.1
    peak 752  ppm1  2.20 ppm2  2.41 volume   8.96e+08 { 752 }
assi (((resi 27 and name HG1))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 753  ppm1  2.40 ppm2  8.67 volume   1.24e+07 { 753 }
assi (((resi 27 and name HG2))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 27 and name HN))  6.0 0.1 0.1
    peak 754  ppm1  2.19 ppm2  8.67 volume   1.12e+07 { 754 }
assi (((resi 27 and name HG1))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 755  ppm1  2.40 ppm2  8.07 volume   9.49e+06 { 755 }
assi (((resi 27 and name HG2))
   and bondedto
   ((resi 27 and name CG)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 756  ppm1  2.19 ppm2  8.06 volume   1.01e+07 { 756 }
assi (((resi 28 and name HA))
   and bondedto
   ((resi 28 and name CA)))
   ((resi 26 and name HE1))  6.0 0.1 0.1
    peak 757  ppm1  3.67 ppm2  2.56 volume   2.19e+07 { 757 }
assi (((resi 28 and name HA))
   and bondedto
   ((resi 28 and name CA)))
   ((resi 28 and name HB))  6.0 0.1 0.1
    peak 758  ppm1  3.66 ppm2  1.97 volume   1.34e+07 { 758 }
assi (((resi 28 and name HA))
   and bondedto
   ((resi 28 and name CA)))
   ((resi 28 and name HG1#))  6.0 0.1 0.1
    peak 759  ppm1  3.66 ppm2  1.10 volume   3.46e+07 { 759 }
assi (((resi 28 and name HA))
   and bondedto
   ((resi 28 and name CA)))
   ((resi 28 and name HG2#))  6.0 0.1 0.1
    peak 760  ppm1  3.67 ppm2  0.94 volume   5.96e+07 { 760 }
assi (((resi 28 and name HA))
   and bondedto
   ((resi 28 and name CA)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 761  ppm1  3.66 ppm2  8.06 volume   1.11e+07 { 761 }
assi (((resi 28 and name HA))
   and bondedto
   ((resi 28 and name CA)))
   ((resi 29 and name HN))  6.0 0.1 0.1
    peak 762  ppm1  3.67 ppm2  7.85 volume   3.74e+07 { 762 }
assi (((resi 28 and name HA))
   and bondedto
   ((resi 28 and name CA)))
   ((resi 78 and name HN))  6.0 0.1 0.1
    peak 763  ppm1  3.67 ppm2  9.29 volume   3.20e+07 { 763 }
assi (((resi 28 and name HA))
   and bondedto
   ((resi 28 and name CA)))
   ((resi 82 and name HG1#))  6.0 0.1 0.1
    peak 764  ppm1  3.67 ppm2  1.39 volume   9.63e+06 { 764 }
assi (((resi 28 and name HB))
   and bondedto
   ((resi 28 and name CB)))
   ((resi 27 and name HA))  6.0 0.1 0.1
    peak 765  ppm1  1.96 ppm2  4.22 volume   4.57e+07 { 765 }
assi (((resi 28 and name HB))
   and bondedto
   ((resi 28 and name CB)))
   ((resi 28 and name HA))  6.0 0.1 0.1
    peak 766  ppm1  1.97 ppm2  3.67 volume   1.18e+08 { 766 }
assi (((resi 28 and name HB))
   and bondedto
   ((resi 28 and name CB)))
   ((resi 28 and name HG1#))  6.0 0.1 0.1
    peak 767  ppm1  1.97 ppm2  1.10 volume   5.24e+08 { 767 }
assi (((resi 28 and name HB))
   and bondedto
   ((resi 28 and name CB)))
   ((resi 28 and name HG2#))  6.0 0.1 0.1
    peak 768  ppm1  1.97 ppm2  0.92 volume   5.18e+08 { 768 }
assi (((resi 28 and name HB))
   and bondedto
   ((resi 28 and name CB)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 769  ppm1  1.96 ppm2  8.06 volume   3.59e+07 { 769 }
assi (((resi 28 and name HG1#))
   and bondedto
   ((resi 28 and name CG1)))
   ((resi 28 and name HA))  6.0 0.1 0.1
    peak 770  ppm1  1.10 ppm2  3.67 volume   5.82e+07 { 770 }
assi (((resi 28 and name HG1#))
   and bondedto
   ((resi 28 and name CG1)))
   ((resi 28 and name HB))  6.0 0.1 0.1
    peak 771  ppm1  1.10 ppm2  1.96 volume   6.92e+08 { 771 }
assi (((resi 28 and name HG1#))
   and bondedto
   ((resi 28 and name CG1)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 772  ppm1  1.11 ppm2  8.06 volume   3.44e+07 { 772 }
assi (((resi 28 and name HG1#))
   and bondedto
   ((resi 28 and name CG1)))
   ((resi 79 and name HA))  6.0 0.1 0.1
    peak 773  ppm1  1.11 ppm2  4.41 volume   1.90e+07 { 773 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 27 and name HA))  6.0 0.1 0.1
    peak 774  ppm1  0.93 ppm2  4.21 volume   1.67e+07 { 774 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 27 and name HB#))  6.0 0.1 0.1
    peak 775  ppm1  0.92 ppm2  2.17 volume   3.13e+08 { 775 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 28 and name HA))  6.0 0.1 0.1
    peak 776  ppm1  0.93 ppm2  3.69 volume   1.25e+08 { 776 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 28 and name HB))  6.0 0.1 0.1
    peak 777  ppm1  0.93 ppm2  1.97 volume   7.31e+08 { 777 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 28 and name HG1#))  6.0 0.1 0.1
    peak 778  ppm1  0.93 ppm2  1.09 volume   1.22e+09 { 778 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 779  ppm1  0.93 ppm2  8.06 volume   8.38e+07 { 779 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 29 and name HN))  6.0 0.1 0.1
    peak 780  ppm1  0.93 ppm2  7.84 volume   1.76e+07 { 780 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 78 and name HB))  6.0 0.1 0.1
    peak 781  ppm1  0.93 ppm2  2.55 volume   5.40e+07 { 781 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 79 and name HA))  6.0 0.1 0.1
    peak 782  ppm1  0.93 ppm2  4.42 volume   1.52e+07 { 782 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 80 and name HA))  6.0 0.1 0.1
    peak 783  ppm1  0.93 ppm2  4.65 volume   4.42e+07 { 783 }
assi (((resi 28 and name HG2#))
   and bondedto
   ((resi 28 and name CG2)))
   ((resi 81 and name HA))  6.0 0.1 0.1
    peak 784  ppm1  0.92 ppm2  4.11 volume   1.90e+07 { 784 }
assi (((resi 29 and name HB1))
   and bondedto
   ((resi 29 and name CB)))
   ((resi 27 and name HB#))  6.0 0.1 0.1
    peak 785  ppm1  4.50 ppm2  2.17 volume   6.96e+06 { 785 }
assi (((resi 29 and name HB2))
   and bondedto
   ((resi 29 and name CB)))
   ((resi 27 and name HG2))  6.0 0.1 0.1
    peak 786  ppm1  3.89 ppm2  2.19 volume   4.89e+06 { 786 }
assi (((resi 29 and name HB1))
   and bondedto
   ((resi 29 and name CB)))
   ((resi 29 and name HA))  6.0 0.1 0.1
    peak 787  ppm1  4.50 ppm2  4.72 volume   5.03e+08 { 787 }
assi (((resi 29 and name HB2))
   and bondedto
   ((resi 29 and name CB)))
   ((resi 29 and name HA))  6.0 0.1 0.1
    peak 788  ppm1  3.90 ppm2  4.72 volume   7.16e+08 { 788 }
assi (((resi 29 and name HB2))
   and bondedto
   ((resi 29 and name CB)))
   ((resi 29 and name HB1))  6.0 0.1 0.1
    peak 789  ppm1  3.91 ppm2  4.47 volume   8.87e+08 { 789 }
assi (((resi 29 and name HB1))
   and bondedto
   ((resi 29 and name CB)))
   ((resi 30 and name HN))  6.0 0.1 0.1
    peak 790  ppm1  4.50 ppm2  8.57 volume   8.50e+06 { 790 }
assi (((resi 29 and name HB2))
   and bondedto
   ((resi 29 and name CB)))
   ((resi 30 and name HN))  6.0 0.1 0.1
    peak 791  ppm1  3.90 ppm2  8.57 volume   8.85e+06 { 791 }
assi (((resi 30 and name HA))
   and bondedto
   ((resi 30 and name CA)))
   ((resi 30 and name HB#))  6.0 0.1 0.1
    peak 792  ppm1  5.72 ppm2  2.06 volume   3.02e+07 { 792 }
assi (((resi 30 and name HA))
   and bondedto
   ((resi 30 and name CA)))
   ((resi 30 and name HG1))  6.0 0.1 0.1
    peak 793  ppm1  5.72 ppm2  2.31 volume   1.23e+07 { 793 }
assi (((resi 30 and name HA))
   and bondedto
   ((resi 30 and name CA)))
   ((resi 31 and name HN))  6.0 0.1 0.1
    peak 794  ppm1  5.72 ppm2  8.70 volume   5.53e+07 { 794 }
assi (((resi 30 and name HA))
   and bondedto
   ((resi 30 and name CA)))
   ((resi 75 and name HG#))  6.0 0.1 0.1
    peak 795  ppm1  5.73 ppm2  1.57 volume   6.35e+06 { 795 }
assi (((resi 30 and name HA))
   and bondedto
   ((resi 30 and name CA)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 796  ppm1  5.72 ppm2  4.85 volume   3.04e+07 { 796 }
assi (((resi 30 and name HA))
   and bondedto
   ((resi 30 and name CA)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 797  ppm1  5.72 ppm2  1.39 volume   5.85e+06 { 797 }
assi (((resi 30 and name HA))
   and bondedto
   ((resi 30 and name CA)))
   ((resi 78 and name HN))  6.0 0.1 0.1
    peak 798  ppm1  5.72 ppm2  9.29 volume   1.43e+07 { 798 }
assi (((resi 30 and name HB#))
   and bondedto
   ((resi 30 and name CB)))
   ((resi 30 and name HA))  6.0 0.1 0.1
    peak 799  ppm1  2.06 ppm2  5.72 volume   1.68e+07 { 799 }
assi (((resi 30 and name HB#))
   and bondedto
   ((resi 30 and name CB)))
   ((resi 30 and name HG1))  6.0 0.1 0.1
    peak 800  ppm1  2.06 ppm2  2.32 volume   3.94e+08 { 800 }
assi (((resi 30 and name HB#))
   and bondedto
   ((resi 30 and name CB)))
   ((resi 31 and name HN))  6.0 0.1 0.1
    peak 801  ppm1  2.07 ppm2  8.70 volume   8.37e+06 { 801 }
assi (((resi 30 and name HB#))
   and bondedto
   ((resi 30 and name CB)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 802  ppm1  2.07 ppm2  4.84 volume   8.86e+07 { 802 }
assi (((resi 30 and name HG1))
   and bondedto
   ((resi 30 and name CG)))
   ((resi 30 and name HA))  6.0 0.1 0.1
    peak 803  ppm1  2.32 ppm2  5.71 volume   6.97e+07 { 803 }
assi (((resi 30 and name HG2))
   and bondedto
   ((resi 30 and name CG)))
   ((resi 30 and name HA))  6.0 0.1 0.1
    peak 804  ppm1  2.21 ppm2  5.71 volume   6.82e+07 { 804 }
assi (((resi 30 and name HG1))
   and bondedto
   ((resi 30 and name CG)))
   ((resi 31 and name HN))  6.0 0.1 0.1
    peak 805  ppm1  2.33 ppm2  8.69 volume   3.31e+07 { 805 }
assi (((resi 30 and name HG2))
   and bondedto
   ((resi 30 and name CG)))
   ((resi 31 and name HN))  6.0 0.1 0.1
    peak 806  ppm1  2.21 ppm2  8.69 volume   2.89e+07 { 806 }
assi (((resi 30 and name HG1))
   and bondedto
   ((resi 30 and name CG)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 807  ppm1  2.33 ppm2  4.86 volume   5.59e+07 { 807 }
assi (((resi 31 and name HA))
   and bondedto
   ((resi 31 and name CA)))
   ((resi 31 and name HB1))  6.0 0.1 0.1
    peak 808  ppm1  5.06 ppm2  3.25 volume   2.99e+08 { 808 }
assi (((resi 31 and name HA))
   and bondedto
   ((resi 31 and name CA)))
   ((resi 31 and name HB2))  6.0 0.1 0.1
    peak 809  ppm1  5.06 ppm2  3.49 volume   3.07e+08 { 809 }
assi (((resi 31 and name HA))
   and bondedto
   ((resi 31 and name CA)))
   ((resi 31 and name HD#))  6.0 0.1 0.1
    peak 810  ppm1  5.06 ppm2  7.12 volume   9.90e+06 { 810 }
assi (((resi 31 and name HA))
   and bondedto
   ((resi 31 and name CA)))
   ((resi 32 and name HB1))  6.0 0.1 0.1
    peak 811  ppm1  5.05 ppm2  2.61 volume   3.03e+07 { 811 }
assi (((resi 31 and name HA))
   and bondedto
   ((resi 31 and name CA)))
   ((resi 32 and name HN))  6.0 0.1 0.1
    peak 812  ppm1  5.06 ppm2  8.79 volume   5.59e+07 { 812 }
assi (((resi 31 and name HB1))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 31 and name HA))  6.0 0.1 0.1
    peak 813  ppm1  3.26 ppm2  5.06 volume   1.93e+07 { 813 }
assi (((resi 31 and name HB2))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 31 and name HA))  6.0 0.1 0.1
    peak 814  ppm1  3.49 ppm2  5.06 volume   1.89e+07 { 814 }
assi (((resi 31 and name HB2))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 31 and name HB1))  6.0 0.1 0.1
    peak 815  ppm1  3.49 ppm2  3.26 volume   3.23e+08 { 815 }
assi (((resi 31 and name HB1))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 31 and name HB2))  6.0 0.1 0.1
    peak 816  ppm1  3.26 ppm2  3.48 volume   3.12e+08 { 816 }
assi (((resi 31 and name HB1))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 31 and name HD#))  6.0 0.1 0.1
    peak 817  ppm1  3.26 ppm2  7.12 volume   1.51e+07 { 817 }
assi (((resi 31 and name HB2))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 31 and name HD#))  6.0 0.1 0.1
    peak 818  ppm1  3.49 ppm2  7.13 volume   1.90e+07 { 818 }
assi (((resi 31 and name HB1))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 31 and name HE#))  6.0 0.1 0.1
    peak 819  ppm1  3.26 ppm2  6.83 volume   4.49e+06 { 819 }
assi (((resi 31 and name HB2))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 31 and name HE#))  6.0 0.1 0.1
    peak 820  ppm1  3.50 ppm2  6.82 volume   3.44e+06 { 820 }
assi (((resi 31 and name HB1))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 32 and name HN))  6.0 0.1 0.1
    peak 821  ppm1  3.26 ppm2  8.79 volume   1.22e+07 { 821 }
assi (((resi 31 and name HB2))
   and bondedto
   ((resi 31 and name CB)))
   ((resi 32 and name HN))  6.0 0.1 0.1
    peak 822  ppm1  3.47 ppm2  8.79 volume   1.37e+07 { 822 }
assi (((resi 32 and name HA))
   and bondedto
   ((resi 32 and name CA)))
   ((resi 32 and name HB1))  6.0 0.1 0.1
    peak 823  ppm1  5.44 ppm2  2.62 volume   2.01e+07 { 823 }
assi (((resi 32 and name HA))
   and bondedto
   ((resi 32 and name CA)))
   ((resi 32 and name HB2))  6.0 0.1 0.1
    peak 824  ppm1  5.43 ppm2  2.79 volume   2.39e+07 { 824 }
assi (((resi 32 and name HA))
   and bondedto
   ((resi 32 and name CA)))
   ((resi 32 and name HN))  6.0 0.1 0.1
    peak 825  ppm1  5.44 ppm2  8.79 volume   1.00e+07 { 825 }
assi (((resi 32 and name HA))
   and bondedto
   ((resi 32 and name CA)))
   ((resi 33 and name HN))  6.0 0.1 0.1
    peak 826  ppm1  5.43 ppm2  9.38 volume   5.65e+07 { 826 }
assi (((resi 32 and name HA))
   and bondedto
   ((resi 32 and name CA)))
   ((resi 75 and name HA))  6.0 0.1 0.1
    peak 827  ppm1  5.43 ppm2  5.22 volume   3.23e+08 { 827 }
assi (((resi 32 and name HA))
   and bondedto
   ((resi 32 and name CA)))
   ((resi 75 and name HB1))  6.0 0.1 0.1
    peak 828  ppm1  5.44 ppm2  1.79 volume   8.10e+06 { 828 }
assi (((resi 32 and name HA))
   and bondedto
   ((resi 32 and name CA)))
   ((resi 75 and name HD#))  6.0 0.1 0.1
    peak 829  ppm1  5.43 ppm2  3.21 volume   7.08e+06 { 829 }
assi (((resi 32 and name HA))
   and bondedto
   ((resi 32 and name CA)))
   ((resi 75 and name HG#))  6.0 0.1 0.1
    peak 830  ppm1  5.43 ppm2  1.53 volume   1.05e+08 { 830 }
assi (((resi 32 and name HB1))
   and bondedto
   ((resi 32 and name CB)))
   ((resi 32 and name HA))  6.0 0.1 0.1
    peak 831  ppm1  2.62 ppm2  5.43 volume   1.59e+07 { 831 }
assi (((resi 32 and name HB2))
   and bondedto
   ((resi 32 and name CB)))
   ((resi 32 and name HA))  6.0 0.1 0.1
    peak 832  ppm1  2.80 ppm2  5.44 volume   1.61e+07 { 832 }
assi (((resi 32 and name HB2))
   and bondedto
   ((resi 32 and name CB)))
   ((resi 32 and name HB1))  6.0 0.1 0.1
    peak 833  ppm1  2.80 ppm2  2.62 volume   8.84e+08 { 833 }
assi (((resi 32 and name HB1))
   and bondedto
   ((resi 32 and name CB)))
   ((resi 32 and name HB2))  6.0 0.1 0.1
    peak 834  ppm1  2.62 ppm2  2.80 volume   9.15e+08 { 834 }
assi (((resi 32 and name HB1))
   and bondedto
   ((resi 32 and name CB)))
   ((resi 32 and name HN))  6.0 0.1 0.1
    peak 835  ppm1  2.63 ppm2  8.79 volume   1.96e+07 { 835 }
assi (((resi 32 and name HB2))
   and bondedto
   ((resi 32 and name CB)))
   ((resi 32 and name HN))  6.0 0.1 0.1
    peak 836  ppm1  2.79 ppm2  8.79 volume   1.52e+07 { 836 }
assi (((resi 32 and name HB1))
   and bondedto
   ((resi 32 and name CB)))
   ((resi 33 and name HN))  6.0 0.1 0.1
    peak 837  ppm1  2.63 ppm2  9.38 volume   1.05e+07 { 837 }
assi (((resi 32 and name HB2))
   and bondedto
   ((resi 32 and name CB)))
   ((resi 33 and name HN))  6.0 0.1 0.1
    peak 838  ppm1  2.80 ppm2  9.38 volume   1.14e+07 { 838 }
assi (((resi 33 and name HA))
   and bondedto
   ((resi 33 and name CA)))
   ((resi 33 and name HB#))  6.0 0.1 0.1
    peak 839  ppm1  4.50 ppm2  2.64 volume   3.26e+07 { 839 }
assi (((resi 33 and name HA))
   and bondedto
   ((resi 33 and name CA)))
   ((resi 33 and name HD1))  6.0 0.1 0.1
    peak 840  ppm1  4.50 ppm2  7.44 volume   1.29e+07 { 840 }
assi (((resi 33 and name HA))
   and bondedto
   ((resi 33 and name CA)))
   ((resi 33 and name HN))  6.0 0.1 0.1
    peak 841  ppm1  4.50 ppm2  9.38 volume   1.40e+07 { 841 }
assi (((resi 33 and name HA))
   and bondedto
   ((resi 33 and name CA)))
   ((resi 34 and name HN))  6.0 0.1 0.1
    peak 842  ppm1  4.50 ppm2  7.01 volume   5.78e+07 { 842 }
assi (((resi 33 and name HB#))
   and bondedto
   ((resi 33 and name CB)))
   ((resi 33 and name HA))  6.0 0.1 0.1
    peak 843  ppm1  2.65 ppm2  4.50 volume   1.52e+07 { 843 }
assi (((resi 33 and name HB#))
   and bondedto
   ((resi 33 and name CB)))
   ((resi 33 and name HD1))  6.0 0.1 0.1
    peak 844  ppm1  2.65 ppm2  7.44 volume   5.94e+06 { 844 }
assi (((resi 33 and name HB#))
   and bondedto
   ((resi 33 and name CB)))
   ((resi 33 and name HN))  6.0 0.1 0.1
    peak 845  ppm1  2.65 ppm2  9.38 volume   1.18e+07 { 845 }
assi (((resi 33 and name HB#))
   and bondedto
   ((resi 33 and name CB)))
   ((resi 76 and name HB2))  6.0 0.1 0.1
    peak 846  ppm1  2.65 ppm2  1.82 volume   6.50e+06 { 846 }
assi (((resi 33 and name HB#))
   and bondedto
   ((resi 33 and name CB)))
   ((resi 76 and name HD1))  6.0 0.1 0.1
    peak 847  ppm1  2.65 ppm2  7.09 volume   1.24e+07 { 847 }
assi (((resi 33 and name HB#))
   and bondedto
   ((resi 33 and name CB)))
   ((resi 76 and name HZ2))  6.0 0.1 0.1
    peak 848  ppm1  2.65 ppm2  6.83 volume   5.94e+06 { 848 }
assi (((resi 34 and name HA))
   and bondedto
   ((resi 34 and name CA)))
   ((resi 34 and name HB1))  6.0 0.1 0.1
    peak 849  ppm1  5.25 ppm2  2.80 volume   2.40e+08 { 849 }
assi (((resi 34 and name HA))
   and bondedto
   ((resi 34 and name CA)))
   ((resi 34 and name HB2))  6.0 0.1 0.1
    peak 850  ppm1  5.26 ppm2  2.46 volume   8.65e+06 { 850 }
assi (((resi 34 and name HA))
   and bondedto
   ((resi 34 and name CA)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 851  ppm1  5.25 ppm2  6.81 volume   1.95e+07 { 851 }
assi (((resi 34 and name HA))
   and bondedto
   ((resi 34 and name CA)))
   ((resi 34 and name HN))  6.0 0.1 0.1
    peak 852  ppm1  5.25 ppm2  7.00 volume   6.80e+06 { 852 }
assi (((resi 34 and name HA))
   and bondedto
   ((resi 34 and name CA)))
   ((resi 35 and name HN))  6.0 0.1 0.1
    peak 853  ppm1  5.24 ppm2  7.99 volume   2.51e+07 { 853 }
assi (((resi 34 and name HA))
   and bondedto
   ((resi 34 and name CA)))
   ((resi 74 and name HN))  6.0 0.1 0.1
    peak 854  ppm1  5.23 ppm2  9.09 volume   1.49e+08 { 854 }
assi (((resi 34 and name HB1))
   and bondedto
   ((resi 34 and name CB)))
   ((resi 34 and name HA))  6.0 0.1 0.1
    peak 855  ppm1  2.81 ppm2  5.26 volume   1.06e+07 { 855 }
assi (((resi 34 and name HB2))
   and bondedto
   ((resi 34 and name CB)))
   ((resi 34 and name HA))  6.0 0.1 0.1
    peak 856  ppm1  2.46 ppm2  5.26 volume   7.64e+06 { 856 }
assi (((resi 34 and name HB2))
   and bondedto
   ((resi 34 and name CB)))
   ((resi 34 and name HB1))  6.0 0.1 0.1
    peak 857  ppm1  2.48 ppm2  2.80 volume   3.54e+08 { 857 }
assi (((resi 34 and name HB1))
   and bondedto
   ((resi 34 and name CB)))
   ((resi 34 and name HB2))  6.0 0.1 0.1
    peak 858  ppm1  2.81 ppm2  2.47 volume   3.61e+08 { 858 }
assi (((resi 34 and name HB1))
   and bondedto
   ((resi 34 and name CB)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 859  ppm1  2.81 ppm2  6.81 volume   1.61e+07 { 859 }
assi (((resi 34 and name HB2))
   and bondedto
   ((resi 34 and name CB)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 860  ppm1  2.47 ppm2  6.81 volume   1.75e+07 { 860 }
assi (((resi 34 and name HB1))
   and bondedto
   ((resi 34 and name CB)))
   ((resi 34 and name HN))  6.0 0.1 0.1
    peak 861  ppm1  2.80 ppm2  7.00 volume   8.83e+06 { 861 }
assi (((resi 34 and name HB2))
   and bondedto
   ((resi 34 and name CB)))
   ((resi 34 and name HN))  6.0 0.1 0.1
    peak 862  ppm1  2.48 ppm2  6.99 volume   9.84e+06 { 862 }
assi (((resi 35 and name HA))
   and bondedto
   ((resi 35 and name CA)))
   ((resi 35 and name HB1))  6.0 0.1 0.1
    peak 863  ppm1  4.12 ppm2  3.29 volume   1.19e+07 { 863 }
assi (((resi 35 and name HA))
   and bondedto
   ((resi 35 and name CA)))
   ((resi 35 and name HB2))  6.0 0.1 0.1
    peak 864  ppm1  4.12 ppm2  2.78 volume   1.10e+07 { 864 }
assi (((resi 35 and name HA))
   and bondedto
   ((resi 35 and name CA)))
   ((resi 35 and name HD#))  6.0 0.1 0.1
    peak 865  ppm1  4.12 ppm2  7.13 volume   1.02e+07 { 865 }
assi (((resi 35 and name HA))
   and bondedto
   ((resi 35 and name CA)))
   ((resi 35 and name HN))  6.0 0.1 0.1
    peak 866  ppm1  4.12 ppm2  7.99 volume   1.04e+07 { 866 }
assi (((resi 35 and name HA))
   and bondedto
   ((resi 35 and name CA)))
   ((resi 36 and name HN))  6.0 0.1 0.1
    peak 867  ppm1  4.12 ppm2  8.16 volume   1.95e+07 { 867 }
assi (((resi 35 and name HA))
   and bondedto
   ((resi 35 and name CA)))
   ((resi 37 and name HN))  6.0 0.1 0.1
    peak 868  ppm1  4.12 ppm2  7.78 volume   9.62e+06 { 868 }
assi (((resi 35 and name HA))
   and bondedto
   ((resi 35 and name CA)))
   ((resi 71 and name HN))  6.0 0.1 0.1
    peak 869  ppm1  4.12 ppm2  9.37 volume   7.20e+06 { 869 }
assi (((resi 35 and name HB1))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 35 and name HA))  6.0 0.1 0.1
    peak 870  ppm1  3.28 ppm2  4.12 volume   6.48e+06 { 870 }
assi (((resi 35 and name HB2))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 35 and name HA))  6.0 0.1 0.1
    peak 871  ppm1  2.78 ppm2  4.11 volume   4.36e+06 { 871 }
assi (((resi 35 and name HB2))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 35 and name HB1))  6.0 0.1 0.1
    peak 872  ppm1  2.78 ppm2  3.29 volume   1.45e+07 { 872 }
assi (((resi 35 and name HB1))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 35 and name HB2))  6.0 0.1 0.1
    peak 873  ppm1  3.29 ppm2  2.78 volume   1.55e+07 { 873 }
assi (((resi 35 and name HB1))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 35 and name HD#))  6.0 0.1 0.1
    peak 874  ppm1  3.28 ppm2  7.15 volume   9.59e+06 { 874 }
assi (((resi 35 and name HB2))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 35 and name HD#))  6.0 0.1 0.1
    peak 875  ppm1  2.78 ppm2  7.15 volume   7.32e+06 { 875 }
assi (((resi 35 and name HB1))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 35 and name HN))  6.0 0.1 0.1
    peak 876  ppm1  3.28 ppm2  7.99 volume   7.10e+06 { 876 }
assi (((resi 35 and name HB2))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 35 and name HN))  6.0 0.1 0.1
    peak 877  ppm1  2.79 ppm2  7.99 volume   5.22e+06 { 877 }
assi (((resi 35 and name HB1))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 70 and name HA))  6.0 0.1 0.1
    peak 878  ppm1  3.29 ppm2  3.46 volume   6.44e+06 { 878 }
assi (((resi 35 and name HB2))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 70 and name HA))  6.0 0.1 0.1
    peak 879  ppm1  2.78 ppm2  3.47 volume   4.14e+06 { 879 }
assi (((resi 35 and name HB1))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 71 and name HN))  6.0 0.1 0.1
    peak 880  ppm1  3.28 ppm2  9.37 volume   7.00e+06 { 880 }
assi (((resi 35 and name HB2))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 71 and name HN))  6.0 0.1 0.1
    peak 881  ppm1  2.77 ppm2  9.37 volume   7.85e+06 { 881 }
assi (((resi 35 and name HB1))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 72 and name HB1))  6.0 0.1 0.1
    peak 882  ppm1  3.28 ppm2  2.21 volume   1.13e+07 { 882 }
assi (((resi 35 and name HB2))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 72 and name HB1))  6.0 0.1 0.1
    peak 883  ppm1  2.78 ppm2  2.20 volume   2.05e+07 { 883 }
assi (((resi 35 and name HB1))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 884  ppm1  3.29 ppm2  7.69 volume   6.11e+06 { 884 }
assi (((resi 35 and name HB2))
   and bondedto
   ((resi 35 and name CB)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 885  ppm1  2.77 ppm2  7.70 volume   5.49e+06 { 885 }
assi (((resi 36 and name HA))
   and bondedto
   ((resi 36 and name CA)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 886  ppm1  4.28 ppm2  6.82 volume   7.28e+06 { 886 }
assi (((resi 36 and name HA))
   and bondedto
   ((resi 36 and name CA)))
   ((resi 34 and name HE#))  6.0 0.1 0.1
    peak 887  ppm1  4.28 ppm2  6.66 volume   1.33e+07 { 887 }
assi (((resi 36 and name HA))
   and bondedto
   ((resi 36 and name CA)))
   ((resi 36 and name HB1))  6.0 0.1 0.1
    peak 888  ppm1  4.28 ppm2  2.70 volume   2.80e+07 { 888 }
assi (((resi 36 and name HA))
   and bondedto
   ((resi 36 and name CA)))
   ((resi 36 and name HB2))  6.0 0.1 0.1
    peak 889  ppm1  4.28 ppm2  2.54 volume   2.70e+07 { 889 }
assi (((resi 36 and name HA))
   and bondedto
   ((resi 36 and name CA)))
   ((resi 36 and name HN))  6.0 0.1 0.1
    peak 890  ppm1  4.28 ppm2  8.16 volume   7.83e+06 { 890 }
assi (((resi 36 and name HA))
   and bondedto
   ((resi 36 and name CA)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 891  ppm1  4.29 ppm2  1.08 volume   1.11e+07 { 891 }
assi (((resi 36 and name HA))
   and bondedto
   ((resi 36 and name CA)))
   ((resi 71 and name HA2))  6.0 0.1 0.1
    peak 892  ppm1  4.27 ppm2  3.60 volume   1.16e+06 { 892 }
assi (((resi 36 and name HA))
   and bondedto
   ((resi 36 and name CA)))
   ((resi 71 and name HN))  6.0 0.1 0.1
    peak 893  ppm1  4.29 ppm2  9.37 volume   1.17e+06 { 893 }
assi (((resi 36 and name HB1))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 894  ppm1  2.71 ppm2  6.82 volume   4.83e+07 { 894 }
assi (((resi 36 and name HB2))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 895  ppm1  2.54 ppm2  6.81 volume   6.67e+07 { 895 }
assi (((resi 36 and name HB1))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 34 and name HE#))  6.0 0.1 0.1
    peak 896  ppm1  2.70 ppm2  6.66 volume   7.14e+07 { 896 }
assi (((resi 36 and name HB2))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 34 and name HE#))  6.0 0.1 0.1
    peak 897  ppm1  2.54 ppm2  6.65 volume   8.69e+07 { 897 }
assi (((resi 36 and name HB1))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 36 and name HA))  6.0 0.1 0.1
    peak 898  ppm1  2.70 ppm2  4.29 volume   3.11e+08 { 898 }
assi (((resi 36 and name HB2))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 36 and name HA))  6.0 0.1 0.1
    peak 899  ppm1  2.54 ppm2  4.28 volume   2.77e+08 { 899 }
assi (((resi 36 and name HB2))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 36 and name HB1))  6.0 0.1 0.1
    peak 900  ppm1  2.54 ppm2  2.71 volume   1.40e+09 { 900 }
assi (((resi 36 and name HB1))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 36 and name HB2))  6.0 0.1 0.1
    peak 901  ppm1  2.71 ppm2  2.54 volume   1.41e+09 { 901 }
assi (((resi 36 and name HB1))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 36 and name HN))  6.0 0.1 0.1
    peak 902  ppm1  2.71 ppm2  8.16 volume   4.13e+07 { 902 }
assi (((resi 36 and name HB2))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 36 and name HN))  6.0 0.1 0.1
    peak 903  ppm1  2.54 ppm2  8.16 volume   4.45e+07 { 903 }
assi (((resi 36 and name HB1))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 37 and name HN))  6.0 0.1 0.1
    peak 904  ppm1  2.70 ppm2  7.78 volume   3.76e+07 { 904 }
assi (((resi 36 and name HB2))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 37 and name HN))  6.0 0.1 0.1
    peak 905  ppm1  2.53 ppm2  7.78 volume   2.50e+07 { 905 }
assi (((resi 36 and name HB1))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 906  ppm1  2.71 ppm2  1.10 volume   3.43e+07 { 906 }
assi (((resi 36 and name HB2))
   and bondedto
   ((resi 36 and name CB)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 907  ppm1  2.54 ppm2  1.11 volume   4.17e+07 { 907 }
assi (((resi 37 and name HA))
   and bondedto
   ((resi 37 and name CA)))
   ((resi 37 and name HG2#))  6.0 0.1 0.1
    peak 908  ppm1  4.28 ppm2  1.11 volume   4.33e+08 { 908 }
assi (((resi 37 and name HA))
   and bondedto
   ((resi 37 and name CA)))
   ((resi 37 and name HN))  6.0 0.1 0.1
    peak 909  ppm1  4.28 ppm2  7.80 volume   2.51e+08 { 909 }
assi (((resi 37 and name HA))
   and bondedto
   ((resi 37 and name CA)))
   ((resi 70 and name HB2))  6.0 0.1 0.1
    peak 910  ppm1  4.28 ppm2  1.36 volume   6.76e+07 { 910 }
assi (((resi 37 and name HA))
   and bondedto
   ((resi 37 and name CA)))
   ((resi 70 and name HD#))  6.0 0.1 0.1
    peak 911  ppm1  4.28 ppm2  1.59 volume   2.20e+08 { 911 }
assi (((resi 37 and name HA))
   and bondedto
   ((resi 37 and name CA)))
   ((resi 70 and name HE#))  6.0 0.1 0.1
    peak 912  ppm1  4.28 ppm2  2.98 volume   2.87e+07 { 912 }
assi (((resi 37 and name HB))
   and bondedto
   ((resi 37 and name CB)))
   ((resi 37 and name HG2#))  6.0 0.1 0.1
    peak 913  ppm1  4.18 ppm2  1.12 volume   3.84e+08 { 913 }
assi (((resi 37 and name HB))
   and bondedto
   ((resi 37 and name CB)))
   ((resi 38 and name HN))  6.0 0.1 0.1
    peak 914  ppm1  4.18 ppm2  7.81 volume   1.67e+08 { 914 }
assi (((resi 37 and name HB))
   and bondedto
   ((resi 37 and name CB)))
   ((resi 70 and name HD#))  6.0 0.1 0.1
    peak 915  ppm1  4.19 ppm2  1.59 volume   3.42e+07 { 915 }
assi (((resi 37 and name HB))
   and bondedto
   ((resi 37 and name CB)))
   ((resi 89 and name HN))  6.0 0.1 0.1
    peak 916  ppm1  4.19 ppm2  8.07 volume   3.14e+07 { 916 }
assi (((resi 37 and name HG2#))
   and bondedto
   ((resi 37 and name CG2)))
   ((resi 36 and name HB2))  6.0 0.1 0.1
    peak 917  ppm1  1.11 ppm2  2.55 volume   1.41e+07 { 917 }
assi (((resi 37 and name HG2#))
   and bondedto
   ((resi 37 and name CG2)))
   ((resi 37 and name HA))  6.0 0.1 0.1
    peak 918  ppm1  1.12 ppm2  4.28 volume   1.49e+08 { 918 }
assi (((resi 37 and name HG2#))
   and bondedto
   ((resi 37 and name CG2)))
   ((resi 37 and name HB))  6.0 0.1 0.1
    peak 919  ppm1  1.12 ppm2  4.19 volume   6.53e+07 { 919 }
assi (((resi 37 and name HG2#))
   and bondedto
   ((resi 37 and name CG2)))
   ((resi 38 and name HN))  6.0 0.1 0.1
    peak 920  ppm1  1.11 ppm2  7.82 volume   4.35e+07 { 920 }
assi (((resi 37 and name HG2#))
   and bondedto
   ((resi 37 and name CG2)))
   ((resi 88 and name HA))  6.0 0.1 0.1
    peak 921  ppm1  1.12 ppm2  5.23 volume   1.59e+07 { 921 }
assi (((resi 37 and name HG2#))
   and bondedto
   ((resi 37 and name CG2)))
   ((resi 88 and name HB1))  6.0 0.1 0.1
    peak 922  ppm1  1.12 ppm2  1.75 volume   1.77e+08 { 922 }
assi (((resi 37 and name HG2#))
   and bondedto
   ((resi 37 and name CG2)))
   ((resi 88 and name HB2))  6.0 0.1 0.1
    peak 923  ppm1  1.12 ppm2  1.58 volume   2.53e+08 { 923 }
assi (((resi 37 and name HG2#))
   and bondedto
   ((resi 37 and name CG2)))
   ((resi 88 and name HD1#))  6.0 0.1 0.1
    peak 924  ppm1  1.11 ppm2  0.94 volume   1.89e+09 { 924 }
assi (((resi 38 and name HA))
   and bondedto
   ((resi 38 and name CA)))
   ((resi 39 and name HN))  6.0 0.1 0.1
    peak 925  ppm1  4.86 ppm2  8.68 volume   2.75e+08 { 925 }
assi (((resi 38 and name HA))
   and bondedto
   ((resi 38 and name CA)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 926  ppm1  4.88 ppm2  7.62 volume   4.95e+07 { 926 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 38 and name HA))  6.0 0.1 0.1
    peak 927  ppm1  1.89 ppm2  4.86 volume   1.46e+07 { 927 }
assi (((resi 38 and name HB2))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 38 and name HA))  6.0 0.1 0.1
    peak 928  ppm1  1.28 ppm2  4.87 volume   1.13e+07 { 928 }
assi (((resi 38 and name HB2))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 38 and name HB1))  6.0 0.1 0.1
    peak 929  ppm1  1.29 ppm2  1.88 volume   4.11e+07 { 929 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 38 and name HB2))  6.0 0.1 0.1
    peak 930  ppm1  1.89 ppm2  1.28 volume   4.38e+07 { 930 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 38 and name HN))  6.0 0.1 0.1
    peak 931  ppm1  1.89 ppm2  7.82 volume   8.81e+06 { 931 }
assi (((resi 38 and name HB2))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 38 and name HN))  6.0 0.1 0.1
    peak 932  ppm1  1.29 ppm2  7.82 volume   9.15e+06 { 932 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 39 and name HN))  6.0 0.1 0.1
    peak 933  ppm1  1.88 ppm2  8.69 volume   9.37e+06 { 933 }
assi (((resi 38 and name HB2))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 39 and name HN))  6.0 0.1 0.1
    peak 934  ppm1  1.28 ppm2  8.69 volume   6.59e+06 { 934 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 935  ppm1  1.87 ppm2  7.63 volume   3.72e+06 { 935 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 89 and name HD#))  6.0 0.1 0.1
    peak 936  ppm1  1.89 ppm2  7.13 volume   7.55e+06 { 936 }
assi (((resi 38 and name HB2))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 89 and name HD#))  6.0 0.1 0.1
    peak 937  ppm1  1.28 ppm2  7.12 volume   5.39e+06 { 937 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 89 and name HE#))  6.0 0.1 0.1
    peak 938  ppm1  1.86 ppm2  7.40 volume   3.51e+06 { 938 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 89 and name HE#))  6.0 0.1 0.1
    peak 939  ppm1  1.88 ppm2  7.39 volume   4.79e+06 { 939 }
assi (((resi 38 and name HB2))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 89 and name HE#))  6.0 0.1 0.1
    peak 940  ppm1  1.28 ppm2  7.39 volume   3.06e+06 { 940 }
assi (((resi 38 and name HB1))
   and bondedto
   ((resi 38 and name CB)))
   ((resi 89 and name HN))  6.0 0.1 0.1
    peak 941  ppm1  1.89 ppm2  8.07 volume   2.58e+06 { 941 }
assi (((resi 39 and name HA))
   and bondedto
   ((resi 39 and name CA)))
   ((resi 40 and name HN))  6.0 0.1 0.1
    peak 942  ppm1  5.29 ppm2  8.94 volume   1.94e+08 { 942 }
assi (((resi 39 and name HA))
   and bondedto
   ((resi 39 and name CA)))
   ((resi 88 and name HD1#))  6.0 0.1 0.1
    peak 943  ppm1  5.29 ppm2  0.94 volume   1.24e+07 { 943 }
assi (((resi 39 and name HA))
   and bondedto
   ((resi 39 and name CA)))
   ((resi 89 and name HD#))  6.0 0.1 0.1
    peak 944  ppm1  5.30 ppm2  7.12 volume   4.70e+06 { 944 }
assi (((resi 39 and name HB#))
   and bondedto
   ((resi 39 and name CB)))
   ((resi 39 and name HA))  6.0 0.1 0.1
    peak 945  ppm1  2.11 ppm2  5.27 volume   3.18e+07 { 945 }
assi (((resi 39 and name HB#))
   and bondedto
   ((resi 39 and name CB)))
   ((resi 88 and name HD1#))  6.0 0.1 0.1
    peak 946  ppm1  2.09 ppm2  0.94 volume   4.87e+07 { 946 }
assi (((resi 40 and name HA))
   and bondedto
   ((resi 40 and name CA)))
   ((resi 39 and name HG2))  6.0 0.1 0.1
    peak 947  ppm1  6.01 ppm2  1.99 volume   3.83e+06 { 947 }
assi (((resi 40 and name HA))
   and bondedto
   ((resi 40 and name CA)))
   ((resi 40 and name HG2#))  6.0 0.1 0.1
    peak 948  ppm1  6.01 ppm2  1.45 volume   1.84e+07 { 948 }
assi (((resi 40 and name HA))
   and bondedto
   ((resi 40 and name CA)))
   ((resi 41 and name HN))  6.0 0.1 0.1
    peak 949  ppm1  6.02 ppm2 10.34 volume   3.31e+07 { 949 }
assi (((resi 40 and name HA))
   and bondedto
   ((resi 40 and name CA)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 950  ppm1  6.03 ppm2  9.72 volume   9.79e+06 { 950 }
assi (((resi 40 and name HA))
   and bondedto
   ((resi 40 and name CA)))
   ((resi 67 and name HA))  6.0 0.1 0.1
    peak 951  ppm1  6.01 ppm2  5.45 volume   1.79e+07 { 951 }
assi (((resi 40 and name HA))
   and bondedto
   ((resi 40 and name CA)))
   ((resi 67 and name HG2#))  6.0 0.1 0.1
    peak 952  ppm1  6.01 ppm2  1.15 volume   8.17e+06 { 952 }
assi (((resi 40 and name HB))
   and bondedto
   ((resi 40 and name CB)))
   ((resi 40 and name HA))  6.0 0.1 0.1
    peak 953  ppm1  3.86 ppm2  6.02 volume   5.65e+06 { 953 }
assi (((resi 40 and name HB))
   and bondedto
   ((resi 40 and name CB)))
   ((resi 40 and name HG2#))  6.0 0.1 0.1
    peak 954  ppm1  3.86 ppm2  1.45 volume   5.07e+07 { 954 }
assi (((resi 40 and name HB))
   and bondedto
   ((resi 40 and name CB)))
   ((resi 89 and name HE#))  6.0 0.1 0.1
    peak 955  ppm1  3.85 ppm2  7.40 volume   6.62e+06 { 955 }
assi (((resi 40 and name HB))
   and bondedto
   ((resi 40 and name CB)))
   ((resi 89 and name HZ))  6.0 0.1 0.1
    peak 956  ppm1  3.86 ppm2  7.13 volume   4.89e+06 { 956 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 957  ppm1  1.46 ppm2 -0.03 volume   1.20e+07 { 957 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 21 and name HH2))  6.0 0.1 0.1
    peak 958  ppm1  1.46 ppm2  6.94 volume   3.93e+07 { 958 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 40 and name HA))  6.0 0.1 0.1
    peak 959  ppm1  1.46 ppm2  6.02 volume   2.54e+07 { 959 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 40 and name HB))  6.0 0.1 0.1
    peak 960  ppm1  1.46 ppm2  3.86 volume   4.18e+07 { 960 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 40 and name HN))  6.0 0.1 0.1
    peak 961  ppm1  1.46 ppm2  8.92 volume   4.72e+06 { 961 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 41 and name HN))  6.0 0.1 0.1
    peak 962  ppm1  1.46 ppm2 10.34 volume   2.28e+07 { 962 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 963  ppm1  1.46 ppm2  0.77 volume   1.86e+08 { 963 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 964  ppm1  1.46 ppm2  9.72 volume   6.03e+06 { 964 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 68 and name HD#))  6.0 0.1 0.1
    peak 965  ppm1  1.46 ppm2  6.67 volume   2.29e+07 { 965 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 88 and name HD1#))  6.0 0.1 0.1
    peak 966  ppm1  1.46 ppm2  0.94 volume   3.76e+08 { 966 }
assi (((resi 40 and name HG2#))
   and bondedto
   ((resi 40 and name CG2)))
   ((resi 89 and name HE#))  6.0 0.1 0.1
    peak 967  ppm1  1.46 ppm2  7.41 volume   1.08e+07 { 967 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 41 and name HB1))  6.0 0.1 0.1
    peak 968  ppm1  6.30 ppm2  3.79 volume   1.29e+07 { 968 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 41 and name HB2))  6.0 0.1 0.1
    peak 969  ppm1  6.31 ppm2  3.14 volume   1.42e+07 { 969 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 41 and name HN))  6.0 0.1 0.1
    peak 970  ppm1  6.30 ppm2 10.34 volume   5.46e+06 { 970 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 42 and name HN))  6.0 0.1 0.1
    peak 971  ppm1  6.30 ppm2  9.61 volume   2.24e+07 { 971 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 85 and name HD2))  6.0 0.1 0.1
    peak 972  ppm1  6.31 ppm2  7.10 volume   3.28e+07 { 972 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 86 and name HA))  6.0 0.1 0.1
    peak 973  ppm1  6.31 ppm2  5.97 volume   1.54e+07 { 973 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 86 and name HB2))  6.0 0.1 0.1
    peak 974  ppm1  6.30 ppm2  2.69 volume   5.30e+06 { 974 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 975  ppm1  6.30 ppm2  6.66 volume   7.38e+06 { 975 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 87 and name HB2))  6.0 0.1 0.1
    peak 976  ppm1  6.30 ppm2  1.43 volume   2.86e+07 { 976 }
assi (((resi 41 and name HA))
   and bondedto
   ((resi 41 and name CA)))
   ((resi 87 and name HN))  6.0 0.1 0.1
    peak 977  ppm1  6.31 ppm2  8.82 volume   5.82e+06 { 977 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 41 and name HA))  6.0 0.1 0.1
    peak 978  ppm1  3.79 ppm2  6.31 volume   1.27e+07 { 978 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 41 and name HA))  6.0 0.1 0.1
    peak 979  ppm1  3.15 ppm2  6.31 volume   1.11e+07 { 979 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 41 and name HB1))  6.0 0.1 0.1
    peak 980  ppm1  3.15 ppm2  3.79 volume   3.08e+07 { 980 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 41 and name HB2))  6.0 0.1 0.1
    peak 981  ppm1  3.80 ppm2  3.15 volume   3.36e+07 { 981 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 42 and name HN))  6.0 0.1 0.1
    peak 982  ppm1  3.79 ppm2  9.62 volume   6.41e+06 { 982 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 42 and name HN))  6.0 0.1 0.1
    peak 983  ppm1  3.15 ppm2  9.62 volume   8.97e+06 { 983 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 84 and name HB2))  6.0 0.1 0.1
    peak 984  ppm1  3.80 ppm2  1.78 volume   9.68e+06 { 984 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 84 and name HB2))  6.0 0.1 0.1
    peak 985  ppm1  3.14 ppm2  1.78 volume   1.00e+07 { 985 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 84 and name HG1))  6.0 0.1 0.1
    peak 986  ppm1  3.79 ppm2  2.11 volume   7.61e+06 { 986 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 84 and name HG1))  6.0 0.1 0.1
    peak 987  ppm1  3.16 ppm2  2.11 volume   6.84e+06 { 987 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 988  ppm1  3.80 ppm2  1.37 volume   6.98e+06 { 988 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 989  ppm1  3.15 ppm2  1.36 volume   7.16e+06 { 989 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 86 and name HA))  6.0 0.1 0.1
    peak 990  ppm1  3.81 ppm2  5.94 volume   4.00e+06 { 990 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 86 and name HA))  6.0 0.1 0.1
    peak 991  ppm1  3.15 ppm2  5.95 volume   5.55e+06 { 991 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 86 and name HB2))  6.0 0.1 0.1
    peak 992  ppm1  3.78 ppm2  2.67 volume   5.50e+06 { 992 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 993  ppm1  3.81 ppm2  6.85 volume   2.63e+06 { 993 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 994  ppm1  3.14 ppm2  6.85 volume   4.26e+06 { 994 }
assi (((resi 41 and name HB1))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 995  ppm1  3.82 ppm2  6.68 volume   3.26e+06 { 995 }
assi (((resi 41 and name HB2))
   and bondedto
   ((resi 41 and name CB)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 996  ppm1  3.14 ppm2  6.69 volume   4.33e+06 { 996 }
assi (((resi 42 and name HA))
   and bondedto
   ((resi 42 and name CA)))
   ((resi 42 and name HB1))  6.0 0.1 0.1
    peak 997  ppm1  5.87 ppm2  2.91 volume   1.07e+07 { 997 }
assi (((resi 42 and name HA))
   and bondedto
   ((resi 42 and name CA)))
   ((resi 42 and name HB2))  6.0 0.1 0.1
    peak 998  ppm1  5.88 ppm2  2.74 volume   6.20e+06 { 998 }
assi (((resi 42 and name HA))
   and bondedto
   ((resi 42 and name CA)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 999  ppm1  5.88 ppm2  6.86 volume   2.01e+07 { 999 }
assi (((resi 42 and name HA))
   and bondedto
   ((resi 42 and name CA)))
   ((resi 43 and name HN))  6.0 0.1 0.1
    peak 1000  ppm1  5.88 ppm2  8.36 volume   2.56e+07 { 1000 }
assi (((resi 42 and name HA))
   and bondedto
   ((resi 42 and name CA)))
   ((resi 65 and name HA))  6.0 0.1 0.1
    peak 1001  ppm1  5.88 ppm2  5.67 volume   1.59e+07 { 1001 }
assi (((resi 42 and name HA))
   and bondedto
   ((resi 42 and name CA)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 1002  ppm1  5.89 ppm2  0.94 volume   1.13e+07 { 1002 }
assi (((resi 42 and name HB1))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 1003  ppm1  2.91 ppm2 -0.05 volume   9.99e+06 { 1003 }
assi (((resi 42 and name HB2))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 1004  ppm1  2.74 ppm2 -0.06 volume   8.31e+06 { 1004 }
assi (((resi 42 and name HB1))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 42 and name HA))  6.0 0.1 0.1
    peak 1005  ppm1  2.90 ppm2  5.88 volume   6.15e+06 { 1005 }
assi (((resi 42 and name HB2))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 42 and name HA))  6.0 0.1 0.1
    peak 1006  ppm1  2.73 ppm2  5.87 volume   4.71e+06 { 1006 }
assi (((resi 42 and name HB1))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1007  ppm1  2.90 ppm2  6.85 volume   1.03e+07 { 1007 }
assi (((resi 42 and name HB2))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1008  ppm1  2.73 ppm2  6.85 volume   1.13e+07 { 1008 }
assi (((resi 42 and name HB1))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 42 and name HN))  6.0 0.1 0.1
    peak 1009  ppm1  2.90 ppm2  9.62 volume   2.95e+06 { 1009 }
assi (((resi 42 and name HB2))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 42 and name HN))  6.0 0.1 0.1
    peak 1010  ppm1  2.74 ppm2  9.62 volume   4.34e+06 { 1010 }
assi (((resi 42 and name HB1))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 1011  ppm1  2.90 ppm2  0.94 volume   8.49e+07 { 1011 }
assi (((resi 42 and name HB2))
   and bondedto
   ((resi 42 and name CB)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 1012  ppm1  2.73 ppm2  0.94 volume   7.40e+06 { 1012 }
assi (((resi 43 and name HA))
   and bondedto
   ((resi 43 and name CA)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 1013  ppm1  4.04 ppm2  0.69 volume   2.38e+07 { 1013 }
assi (((resi 43 and name HA))
   and bondedto
   ((resi 43 and name CA)))
   ((resi 43 and name HG11))  6.0 0.1 0.1
    peak 1014  ppm1  4.05 ppm2  1.73 volume   1.60e+08 { 1014 }
assi (((resi 43 and name HA))
   and bondedto
   ((resi 43 and name CA)))
   ((resi 43 and name HG12))  6.0 0.1 0.1
    peak 1015  ppm1  4.04 ppm2  1.18 volume   7.82e+06 { 1015 }
assi (((resi 43 and name HA))
   and bondedto
   ((resi 43 and name CA)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1016  ppm1  4.04 ppm2  0.56 volume   2.02e+07 { 1016 }
assi (((resi 43 and name HA))
   and bondedto
   ((resi 43 and name CA)))
   ((resi 43 and name HN))  6.0 0.1 0.1
    peak 1017  ppm1  4.04 ppm2  8.36 volume   5.55e+06 { 1017 }
assi (((resi 43 and name HA))
   and bondedto
   ((resi 43 and name CA)))
   ((resi 44 and name HN))  6.0 0.1 0.1
    peak 1018  ppm1  4.05 ppm2  8.62 volume   2.90e+07 { 1018 }
assi (((resi 43 and name HA))
   and bondedto
   ((resi 43 and name CA)))
   ((resi 84 and name HA))  6.0 0.1 0.1
    peak 1019  ppm1  4.05 ppm2  5.87 volume   1.28e+07 { 1019 }
assi (((resi 43 and name HB))
   and bondedto
   ((resi 43 and name CB)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 1020  ppm1  2.24 ppm2  0.69 volume   8.89e+07 { 1020 }
assi (((resi 43 and name HB))
   and bondedto
   ((resi 43 and name CB)))
   ((resi 43 and name HG11))  6.0 0.1 0.1
    peak 1021  ppm1  2.24 ppm2  1.68 volume   1.19e+08 { 1021 }
assi (((resi 43 and name HB))
   and bondedto
   ((resi 43 and name CB)))
   ((resi 43 and name HG12))  6.0 0.1 0.1
    peak 1022  ppm1  2.25 ppm2  1.17 volume   1.46e+08 { 1022 }
assi (((resi 43 and name HB))
   and bondedto
   ((resi 43 and name CB)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1023  ppm1  2.25 ppm2  0.56 volume   2.40e+08 { 1023 }
assi (((resi 43 and name HB))
   and bondedto
   ((resi 43 and name CB)))
   ((resi 43 and name HN))  6.0 0.1 0.1
    peak 1024  ppm1  2.25 ppm2  8.36 volume   1.10e+07 { 1024 }
assi (((resi 43 and name HB))
   and bondedto
   ((resi 43 and name CB)))
   ((resi 62 and name HA))  6.0 0.1 0.1
    peak 1025  ppm1  2.24 ppm2  3.53 volume   8.68e+06 { 1025 }
assi (((resi 43 and name HB))
   and bondedto
   ((resi 43 and name CB)))
   ((resi 63 and name HN))  6.0 0.1 0.1
    peak 1026  ppm1  2.24 ppm2  9.04 volume   8.34e+06 { 1026 }
assi (((resi 43 and name HB))
   and bondedto
   ((resi 43 and name CB)))
   ((resi 64 and name HN))  6.0 0.1 0.1
    peak 1027  ppm1  2.25 ppm2  8.07 volume   1.01e+07 { 1027 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 42 and name HA))  6.0 0.1 0.1
    peak 1028  ppm1  0.70 ppm2  5.89 volume   5.66e+06 { 1028 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 43 and name HA))  6.0 0.1 0.1
    peak 1029  ppm1  0.70 ppm2  4.05 volume   1.63e+07 { 1029 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 43 and name HB))  6.0 0.1 0.1
    peak 1030  ppm1  0.69 ppm2  2.23 volume   9.04e+06 { 1030 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 43 and name HG11))  6.0 0.1 0.1
    peak 1031  ppm1  0.68 ppm2  1.68 volume   2.11e+07 { 1031 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 43 and name HG12))  6.0 0.1 0.1
    peak 1032  ppm1  0.70 ppm2  1.17 volume   1.81e+07 { 1032 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 43 and name HN))  6.0 0.1 0.1
    peak 1033  ppm1  0.70 ppm2  8.36 volume   5.84e+06 { 1033 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 44 and name HN))  6.0 0.1 0.1
    peak 1034  ppm1  0.69 ppm2  8.63 volume   6.06e+06 { 1034 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 60 and name HG2#))  6.0 0.1 0.1
    peak 1035  ppm1  0.68 ppm2  0.41 volume   1.56e+07 { 1035 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 61 and name HG2))  6.0 0.1 0.1
    peak 1036  ppm1  0.68 ppm2  2.12 volume   9.53e+06 { 1036 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 63 and name HN))  6.0 0.1 0.1
    peak 1037  ppm1  0.68 ppm2  9.03 volume   3.39e+06 { 1037 }
assi (((resi 43 and name HD1#))
   and bondedto
   ((resi 43 and name CD1)))
   ((resi 82 and name HG2#))  6.0 0.1 0.1
    peak 1038  ppm1  0.70 ppm2  1.35 volume   1.81e+07 { 1038 }
assi (((resi 43 and name HG11))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HB))  6.0 0.1 0.1
    peak 1039  ppm1  1.69 ppm2  2.24 volume   1.33e+08 { 1039 }
assi (((resi 43 and name HG12))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HB))  6.0 0.1 0.1
    peak 1040  ppm1  1.18 ppm2  2.24 volume   1.26e+08 { 1040 }
assi (((resi 43 and name HG11))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 1041  ppm1  1.68 ppm2  0.70 volume   2.32e+08 { 1041 }
assi (((resi 43 and name HG12))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 1042  ppm1  1.18 ppm2  0.70 volume   2.39e+08 { 1042 }
assi (((resi 43 and name HG11))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HG12))  6.0 0.1 0.1
    peak 1043  ppm1  1.68 ppm2  1.17 volume   2.48e+08 { 1043 }
assi (((resi 43 and name HG11))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1044  ppm1  1.68 ppm2  0.56 volume   1.19e+08 { 1044 }
assi (((resi 43 and name HG12))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1045  ppm1  1.18 ppm2  0.56 volume   1.35e+08 { 1045 }
assi (((resi 43 and name HG11))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HN))  6.0 0.1 0.1
    peak 1046  ppm1  1.68 ppm2  8.35 volume   1.02e+07 { 1046 }
assi (((resi 43 and name HG12))
   and bondedto
   ((resi 43 and name CG1)))
   ((resi 43 and name HN))  6.0 0.1 0.1
    peak 1047  ppm1  1.18 ppm2  8.36 volume   7.84e+06 { 1047 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 43 and name HA))  6.0 0.1 0.1
    peak 1048  ppm1  0.56 ppm2  4.05 volume   3.05e+07 { 1048 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 43 and name HB))  6.0 0.1 0.1
    peak 1049  ppm1  0.56 ppm2  2.24 volume   3.79e+08 { 1049 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 43 and name HG11))  6.0 0.1 0.1
    peak 1050  ppm1  0.56 ppm2  1.72 volume   3.42e+08 { 1050 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 43 and name HG12))  6.0 0.1 0.1
    peak 1051  ppm1  0.56 ppm2  1.19 volume   2.87e+08 { 1051 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 43 and name HN))  6.0 0.1 0.1
    peak 1052  ppm1  0.57 ppm2  8.35 volume   1.17e+07 { 1052 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 44 and name HN))  6.0 0.1 0.1
    peak 1053  ppm1  0.56 ppm2  8.63 volume   2.38e+07 { 1053 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 45 and name HA))  6.0 0.1 0.1
    peak 1054  ppm1  0.56 ppm2  4.43 volume   1.19e+07 { 1054 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1055  ppm1  0.56 ppm2  7.79 volume   3.01e+07 { 1055 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 61 and name HA))  6.0 0.1 0.1
    peak 1056  ppm1  0.56 ppm2  5.10 volume   1.81e+07 { 1056 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 62 and name HA))  6.0 0.1 0.1
    peak 1057  ppm1  0.56 ppm2  3.53 volume   4.41e+07 { 1057 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1058  ppm1  0.56 ppm2  7.37 volume   1.44e+07 { 1058 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 63 and name HN))  6.0 0.1 0.1
    peak 1059  ppm1  0.56 ppm2  9.04 volume   2.00e+07 { 1059 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 64 and name HN))  6.0 0.1 0.1
    peak 1060  ppm1  0.56 ppm2  8.05 volume   9.55e+06 { 1060 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 82 and name HG2#))  6.0 0.1 0.1
    peak 1061  ppm1  0.56 ppm2  1.35 volume   2.74e+08 { 1061 }
assi (((resi 43 and name HG2#))
   and bondedto
   ((resi 43 and name CG2)))
   ((resi 84 and name HA))  6.0 0.1 0.1
    peak 1062  ppm1  0.56 ppm2  5.88 volume   5.12e+06 { 1062 }
assi (((resi 44 and name HA))
   and bondedto
   ((resi 44 and name CA)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 1063  ppm1  4.11 ppm2  6.76 volume   8.93e+06 { 1063 }
assi (((resi 44 and name HA))
   and bondedto
   ((resi 44 and name CA)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1064  ppm1  4.11 ppm2  0.56 volume   2.75e+07 { 1064 }
assi (((resi 44 and name HA))
   and bondedto
   ((resi 44 and name CA)))
   ((resi 44 and name HB#))  6.0 0.1 0.1
    peak 1065  ppm1  4.11 ppm2  1.66 volume   4.97e+08 { 1065 }
assi (((resi 44 and name HA))
   and bondedto
   ((resi 44 and name CA)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 1066  ppm1  4.11 ppm2  0.77 volume   1.18e+07 { 1066 }
assi (((resi 44 and name HA))
   and bondedto
   ((resi 44 and name CA)))
   ((resi 44 and name HD2#))  6.0 0.1 0.1
    peak 1067  ppm1  4.11 ppm2  1.19 volume   5.02e+08 { 1067 }
assi (((resi 44 and name HA))
   and bondedto
   ((resi 44 and name CA)))
   ((resi 44 and name HN))  6.0 0.1 0.1
    peak 1068  ppm1  4.11 ppm2  8.62 volume   1.51e+07 { 1068 }
assi (((resi 44 and name HA))
   and bondedto
   ((resi 44 and name CA)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1069  ppm1  4.11 ppm2  7.80 volume   8.17e+06 { 1069 }
assi (((resi 44 and name HA))
   and bondedto
   ((resi 44 and name CA)))
   ((resi 63 and name HN))  6.0 0.1 0.1
    peak 1070  ppm1  4.12 ppm2  9.07 volume   1.73e+07 { 1070 }
assi (((resi 44 and name HB#))
   and bondedto
   ((resi 44 and name CB)))
   ((resi 43 and name HB))  6.0 0.1 0.1
    peak 1071  ppm1  1.66 ppm2  2.25 volume   5.59e+06 { 1071 }
assi (((resi 44 and name HB#))
   and bondedto
   ((resi 44 and name CB)))
   ((resi 44 and name HA))  6.0 0.1 0.1
    peak 1072  ppm1  1.65 ppm2  4.10 volume   1.95e+07 { 1072 }
assi (((resi 44 and name HB#))
   and bondedto
   ((resi 44 and name CB)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 1073  ppm1  1.65 ppm2  0.77 volume   2.91e+08 { 1073 }
assi (((resi 44 and name HB#))
   and bondedto
   ((resi 44 and name CB)))
   ((resi 44 and name HD2#))  6.0 0.1 0.1
    peak 1074  ppm1  1.66 ppm2  1.18 volume   2.36e+08 { 1074 }
assi (((resi 44 and name HB#))
   and bondedto
   ((resi 44 and name CB)))
   ((resi 44 and name HN))  6.0 0.1 0.1
    peak 1075  ppm1  1.66 ppm2  8.62 volume   1.42e+07 { 1075 }
assi (((resi 44 and name HB#))
   and bondedto
   ((resi 44 and name CB)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1076  ppm1  1.65 ppm2  7.79 volume   1.17e+07 { 1076 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1077  ppm1  0.78 ppm2  6.83 volume   9.20e+06 { 1077 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 1078  ppm1  0.78 ppm2  6.73 volume   1.63e+07 { 1078 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 44 and name HA))  6.0 0.1 0.1
    peak 1079  ppm1  0.78 ppm2  4.11 volume   1.01e+07 { 1079 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 44 and name HB#))  6.0 0.1 0.1
    peak 1080  ppm1  0.78 ppm2  1.66 volume   7.45e+08 { 1080 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 44 and name HD2#))  6.0 0.1 0.1
    peak 1081  ppm1  0.78 ppm2  1.18 volume   6.93e+08 { 1081 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 44 and name HN))  6.0 0.1 0.1
    peak 1082  ppm1  0.78 ppm2  8.62 volume   7.35e+06 { 1082 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1083  ppm1  0.78 ppm2  7.79 volume   6.34e+06 { 1083 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 83 and name HD1))  6.0 0.1 0.1
    peak 1084  ppm1  0.78 ppm2  3.14 volume   1.01e+07 { 1084 }
assi (((resi 44 and name HD1#))
   and bondedto
   ((resi 44 and name CD1)))
   ((resi 84 and name HA))  6.0 0.1 0.1
    peak 1085  ppm1  0.78 ppm2  5.89 volume   4.92e+06 { 1085 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1086  ppm1  1.19 ppm2  6.84 volume   5.84e+07 { 1086 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 1087  ppm1  1.19 ppm2  6.75 volume   8.78e+07 { 1087 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 44 and name HA))  6.0 0.1 0.1
    peak 1088  ppm1  1.19 ppm2  4.11 volume   8.96e+07 { 1088 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 1089  ppm1  1.19 ppm2  0.77 volume   6.52e+08 { 1089 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 44 and name HN))  6.0 0.1 0.1
    peak 1090  ppm1  1.19 ppm2  8.62 volume   1.26e+07 { 1090 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1091  ppm1  1.19 ppm2  7.79 volume   7.33e+06 { 1091 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 62 and name HE#))  6.0 0.1 0.1
    peak 1092  ppm1  1.20 ppm2  3.12 volume   1.78e+07 { 1092 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 63 and name HN))  6.0 0.1 0.1
    peak 1093  ppm1  1.19 ppm2  9.01 volume   6.38e+06 { 1093 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 83 and name HB1))  6.0 0.1 0.1
    peak 1094  ppm1  1.19 ppm2  1.74 volume   1.17e+09 { 1094 }
assi (((resi 44 and name HD2#))
   and bondedto
   ((resi 44 and name CD2)))
   ((resi 84 and name HA))  6.0 0.1 0.1
    peak 1095  ppm1  1.19 ppm2  5.89 volume   9.06e+06 { 1095 }
assi (((resi 44 and name HG))
   and bondedto
   ((resi 44 and name CG)))
   ((resi 44 and name HA))  6.0 0.1 0.1
    peak 1096  ppm1  1.76 ppm2  4.11 volume   2.98e+07 { 1096 }
assi (((resi 44 and name HG))
   and bondedto
   ((resi 44 and name CG)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1097  ppm1  1.80 ppm2  7.77 volume   1.31e+07 { 1097 }
assi (((resi 44 and name HG))
   and bondedto
   ((resi 44 and name CG)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1098  ppm1  1.76 ppm2  1.25 volume   7.70e+08 { 1098 }
assi (((resi 45 and name HA))
   and bondedto
   ((resi 45 and name CA)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1099  ppm1  4.42 ppm2  0.56 volume   3.81e+07 { 1099 }
assi (((resi 45 and name HA))
   and bondedto
   ((resi 45 and name CA)))
   ((resi 44 and name HD2#))  6.0 0.1 0.1
    peak 1100  ppm1  4.41 ppm2  1.19 volume   5.25e+07 { 1100 }
assi (((resi 45 and name HA))
   and bondedto
   ((resi 45 and name CA)))
   ((resi 44 and name HG))  6.0 0.1 0.1
    peak 1101  ppm1  4.42 ppm2  1.77 volume   6.43e+08 { 1101 }
assi (((resi 45 and name HA))
   and bondedto
   ((resi 45 and name CA)))
   ((resi 45 and name HB2))  6.0 0.1 0.1
    peak 1102  ppm1  4.41 ppm2  1.91 volume   2.91e+08 { 1102 }
assi (((resi 45 and name HA))
   and bondedto
   ((resi 45 and name CA)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1103  ppm1  4.42 ppm2  7.79 volume   9.04e+06 { 1103 }
assi (((resi 45 and name HA))
   and bondedto
   ((resi 45 and name CA)))
   ((resi 46 and name HA2))  6.0 0.1 0.1
    peak 1104  ppm1  4.41 ppm2  3.47 volume   5.54e+07 { 1104 }
assi (((resi 45 and name HA))
   and bondedto
   ((resi 45 and name CA)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1105  ppm1  4.42 ppm2  8.63 volume   3.84e+07 { 1105 }
assi (((resi 45 and name HA))
   and bondedto
   ((resi 45 and name CA)))
   ((resi 61 and name HG1))  6.0 0.1 0.1
    peak 1106  ppm1  4.42 ppm2  2.23 volume   1.90e+08 { 1106 }
assi (((resi 45 and name HB1))
   and bondedto
   ((resi 45 and name CB)))
   ((resi 45 and name HA))  6.0 0.1 0.1
    peak 1107  ppm1  2.13 ppm2  4.43 volume   1.78e+07 { 1107 }
assi (((resi 45 and name HB2))
   and bondedto
   ((resi 45 and name CB)))
   ((resi 45 and name HA))  6.0 0.1 0.1
    peak 1108  ppm1  1.92 ppm2  4.42 volume   1.41e+07 { 1108 }
assi (((resi 45 and name HB2))
   and bondedto
   ((resi 45 and name CB)))
   ((resi 45 and name HB1))  6.0 0.1 0.1
    peak 1109  ppm1  1.93 ppm2  2.14 volume   6.84e+08 { 1109 }
assi (((resi 45 and name HB1))
   and bondedto
   ((resi 45 and name CB)))
   ((resi 45 and name HB2))  6.0 0.1 0.1
    peak 1110  ppm1  2.13 ppm2  1.94 volume   6.54e+08 { 1110 }
assi (((resi 45 and name HB1))
   and bondedto
   ((resi 45 and name CB)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1111  ppm1  2.14 ppm2  7.79 volume   5.22e+06 { 1111 }
assi (((resi 45 and name HB2))
   and bondedto
   ((resi 45 and name CB)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1112  ppm1  1.92 ppm2  7.79 volume   1.14e+07 { 1112 }
assi (((resi 45 and name HB1))
   and bondedto
   ((resi 45 and name CB)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1113  ppm1  2.13 ppm2  8.66 volume   1.23e+07 { 1113 }
assi (((resi 45 and name HB2))
   and bondedto
   ((resi 45 and name CB)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1114  ppm1  1.93 ppm2  8.63 volume   7.81e+06 { 1114 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1115  ppm1  2.25 ppm2  0.56 volume   1.89e+07 { 1115 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 44 and name HB#))  6.0 0.1 0.1
    peak 1116  ppm1  2.26 ppm2  1.67 volume   3.16e+08 { 1116 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 45 and name HB2))  6.0 0.1 0.1
    peak 1117  ppm1  2.26 ppm2  1.94 volume   4.90e+08 { 1117 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 45 and name HN))  6.0 0.1 0.1
    peak 1118  ppm1  2.25 ppm2  7.79 volume   1.21e+07 { 1118 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 46 and name HA2))  6.0 0.1 0.1
    peak 1119  ppm1  2.27 ppm2  3.45 volume   4.23e+06 { 1119 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1120  ppm1  2.26 ppm2  8.62 volume   1.20e+07 { 1120 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 62 and name HE#))  6.0 0.1 0.1
    peak 1121  ppm1  2.26 ppm2  3.13 volume   9.49e+06 { 1121 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 82 and name HA))  6.0 0.1 0.1
    peak 1122  ppm1  2.26 ppm2  5.26 volume   5.02e+06 { 1122 }
assi (((resi 45 and name HG#))
   and bondedto
   ((resi 45 and name CG)))
   ((resi 83 and name HN))  6.0 0.1 0.1
    peak 1123  ppm1  2.26 ppm2  8.26 volume   7.05e+06 { 1123 }
assi (((resi 46 and name HA2))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 46 and name HA1))  6.0 0.1 0.1
    peak 1124  ppm1  3.45 ppm2  4.54 volume   6.39e+08 { 1124 }
assi (((resi 46 and name HA1))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 46 and name HA2))  6.0 0.1 0.1
    peak 1125  ppm1  4.54 ppm2  3.45 volume   6.06e+08 { 1125 }
assi (((resi 46 and name HA1))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1126  ppm1  4.54 ppm2  8.62 volume   2.26e+07 { 1126 }
assi (((resi 46 and name HA2))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1127  ppm1  3.45 ppm2  8.63 volume   2.79e+07 { 1127 }
assi (((resi 46 and name HA1))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 1128  ppm1  4.54 ppm2  7.33 volume   3.05e+07 { 1128 }
assi (((resi 46 and name HA2))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 1129  ppm1  3.45 ppm2  7.33 volume   3.99e+07 { 1129 }
assi (((resi 46 and name HA1))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 80 and name HB1))  6.0 0.1 0.1
    peak 1130  ppm1  4.55 ppm2  1.66 volume   4.59e+06 { 1130 }
assi (((resi 46 and name HA2))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 80 and name HB1))  6.0 0.1 0.1
    peak 1131  ppm1  3.45 ppm2  1.68 volume   1.50e+07 { 1131 }
assi (((resi 46 and name HA1))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 82 and name HA))  6.0 0.1 0.1
    peak 1132  ppm1  4.54 ppm2  5.23 volume   2.11e+07 { 1132 }
assi (((resi 46 and name HA2))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 82 and name HA))  6.0 0.1 0.1
    peak 1133  ppm1  3.45 ppm2  5.25 volume   1.62e+07 { 1133 }
assi (((resi 46 and name HA2))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 82 and name HA))  6.0 0.1 0.1
    peak 1134  ppm1  3.48 ppm2  5.25 volume   9.37e+06 { 1134 }
assi (((resi 46 and name HA1))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 82 and name HB))  6.0 0.1 0.1
    peak 1135  ppm1  4.54 ppm2  2.13 volume   1.54e+08 { 1135 }
assi (((resi 46 and name HA2))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 82 and name HB))  6.0 0.1 0.1
    peak 1136  ppm1  3.45 ppm2  2.12 volume   2.28e+07 { 1136 }
assi (((resi 46 and name HA1))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 82 and name HG2#))  6.0 0.1 0.1
    peak 1137  ppm1  4.53 ppm2  1.35 volume   1.39e+07 { 1137 }
assi (((resi 46 and name HA2))
   and bondedto
   ((resi 46 and name CA)))
   ((resi 82 and name HG2#))  6.0 0.1 0.1
    peak 1138  ppm1  3.44 ppm2  1.37 volume   1.01e+07 { 1138 }
assi (((resi 47 and name HA))
   and bondedto
   ((resi 47 and name CA)))
   ((resi 47 and name HB1))  6.0 0.1 0.1
    peak 1139  ppm1  5.10 ppm2  1.78 volume   2.19e+07 { 1139 }
assi (((resi 47 and name HA))
   and bondedto
   ((resi 47 and name CA)))
   ((resi 47 and name HB2))  6.0 0.1 0.1
    peak 1140  ppm1  5.11 ppm2  1.58 volume   2.25e+07 { 1140 }
assi (((resi 47 and name HA))
   and bondedto
   ((resi 47 and name CA)))
   ((resi 47 and name HG1))  6.0 0.1 0.1
    peak 1141  ppm1  5.11 ppm2  1.24 volume   1.24e+07 { 1141 }
assi (((resi 47 and name HA))
   and bondedto
   ((resi 47 and name CA)))
   ((resi 47 and name HG2))  6.0 0.1 0.1
    peak 1142  ppm1  5.11 ppm2  1.41 volume   1.89e+07 { 1142 }
assi (((resi 47 and name HA))
   and bondedto
   ((resi 47 and name CA)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 1143  ppm1  5.11 ppm2  7.34 volume   9.92e+06 { 1143 }
assi (((resi 47 and name HA))
   and bondedto
   ((resi 47 and name CA)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1144  ppm1  5.10 ppm2  9.33 volume   4.65e+08 { 1144 }
assi (((resi 47 and name HA))
   and bondedto
   ((resi 47 and name CA)))
   ((resi 61 and name HB1))  6.0 0.1 0.1
    peak 1145  ppm1  5.11 ppm2  2.06 volume   1.04e+07 { 1145 }
assi (((resi 47 and name HA))
   and bondedto
   ((resi 47 and name CA)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 1146  ppm1  5.11 ppm2  0.87 volume   1.19e+07 { 1146 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HA))  6.0 0.1 0.1
    peak 1147  ppm1  1.80 ppm2  5.10 volume   1.61e+07 { 1147 }
assi (((resi 47 and name HB2))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HA))  6.0 0.1 0.1
    peak 1148  ppm1  1.54 ppm2  5.11 volume   1.23e+07 { 1148 }
assi (((resi 47 and name HB2))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HB1))  6.0 0.1 0.1
    peak 1149  ppm1  1.55 ppm2  1.79 volume   4.15e+08 { 1149 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HB2))  6.0 0.1 0.1
    peak 1150  ppm1  1.80 ppm2  1.55 volume   5.08e+08 { 1150 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 1151  ppm1  1.80 ppm2  2.84 volume   5.10e+06 { 1151 }
assi (((resi 47 and name HB2))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 1152  ppm1  1.54 ppm2  2.83 volume   4.22e+06 { 1152 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HG1))  6.0 0.1 0.1
    peak 1153  ppm1  1.80 ppm2  1.24 volume   1.58e+08 { 1153 }
assi (((resi 47 and name HB2))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HG1))  6.0 0.1 0.1
    peak 1154  ppm1  1.55 ppm2  1.24 volume   1.99e+08 { 1154 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 1155  ppm1  1.81 ppm2  7.33 volume   6.54e+06 { 1155 }
assi (((resi 47 and name HB2))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 1156  ppm1  1.53 ppm2  7.33 volume   7.10e+06 { 1156 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1157  ppm1  1.79 ppm2  9.34 volume   5.53e+06 { 1157 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 61 and name HG2))  6.0 0.1 0.1
    peak 1158  ppm1  1.81 ppm2  2.13 volume   1.33e+08 { 1158 }
assi (((resi 47 and name HB2))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 61 and name HG2))  6.0 0.1 0.1
    peak 1159  ppm1  1.55 ppm2  2.15 volume   6.35e+07 { 1159 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 1160  ppm1  1.79 ppm2  0.87 volume   8.31e+06 { 1160 }
assi (((resi 47 and name HB2))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 1161  ppm1  1.54 ppm2  0.86 volume   1.20e+07 { 1161 }
assi (((resi 47 and name HB1))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 1162  ppm1  1.80 ppm2  8.04 volume   4.69e+06 { 1162 }
assi (((resi 47 and name HB2))
   and bondedto
   ((resi 47 and name CB)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 1163  ppm1  1.55 ppm2  8.05 volume   4.42e+06 { 1163 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 47 and name HA))  6.0 0.1 0.1
    peak 1164  ppm1  1.63 ppm2  5.10 volume   1.37e+07 { 1164 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 1165  ppm1  1.63 ppm2  2.84 volume   4.42e+07 { 1165 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 47 and name HG1))  6.0 0.1 0.1
    peak 1166  ppm1  1.62 ppm2  1.24 volume   4.64e+08 { 1166 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 47 and name HG2))  6.0 0.1 0.1
    peak 1167  ppm1  1.64 ppm2  1.41 volume   5.98e+08 { 1167 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 1168  ppm1  1.64 ppm2  7.34 volume   3.43e+06 { 1168 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1169  ppm1  1.63 ppm2  9.31 volume   4.35e+06 { 1169 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 1170  ppm1  1.63 ppm2  0.86 volume   4.05e+08 { 1170 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 80 and name HG1))  6.0 0.1 0.1
    peak 1171  ppm1  1.62 ppm2  2.17 volume   2.08e+08 { 1171 }
assi (((resi 47 and name HD#))
   and bondedto
   ((resi 47 and name CD)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 1172  ppm1  1.63 ppm2  8.04 volume   3.53e+06 { 1172 }
assi (((resi 47 and name HE#))
   and bondedto
   ((resi 47 and name CE)))
   ((resi 47 and name HA))  6.0 0.1 0.1
    peak 1173  ppm1  2.84 ppm2  5.10 volume   1.51e+07 { 1173 }
assi (((resi 47 and name HE#))
   and bondedto
   ((resi 47 and name CE)))
   ((resi 47 and name HB2))  6.0 0.1 0.1
    peak 1174  ppm1  2.85 ppm2  1.57 volume   1.41e+09 { 1174 }
assi (((resi 47 and name HE#))
   and bondedto
   ((resi 47 and name CE)))
   ((resi 47 and name HG1))  6.0 0.1 0.1
    peak 1175  ppm1  2.85 ppm2  1.26 volume   8.75e+08 { 1175 }
assi (((resi 47 and name HE#))
   and bondedto
   ((resi 47 and name CE)))
   ((resi 49 and name HG2))  6.0 0.1 0.1
    peak 1176  ppm1  2.84 ppm2  1.98 volume   3.55e+08 { 1176 }
assi (((resi 47 and name HE#))
   and bondedto
   ((resi 47 and name CE)))
   ((resi 78 and name HA))  6.0 0.1 0.1
    peak 1177  ppm1  2.84 ppm2  4.12 volume   2.92e+07 { 1177 }
assi (((resi 47 and name HE#))
   and bondedto
   ((resi 47 and name CE)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 1178  ppm1  2.84 ppm2  0.83 volume   9.85e+08 { 1178 }
assi (((resi 47 and name HG1))
   and bondedto
   ((resi 47 and name CG)))
   ((resi 47 and name HA))  6.0 0.1 0.1
    peak 1179  ppm1  1.24 ppm2  5.10 volume   1.08e+07 { 1179 }
assi (((resi 47 and name HG2))
   and bondedto
   ((resi 47 and name CG)))
   ((resi 47 and name HA))  6.0 0.1 0.1
    peak 1180  ppm1  1.41 ppm2  5.10 volume   1.06e+07 { 1180 }
assi (((resi 47 and name HG1))
   and bondedto
   ((resi 47 and name CG)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 1181  ppm1  1.23 ppm2  2.82 volume   1.20e+07 { 1181 }
assi (((resi 47 and name HG2))
   and bondedto
   ((resi 47 and name CG)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 1182  ppm1  1.41 ppm2  2.83 volume   8.03e+06 { 1182 }
assi (((resi 47 and name HG1))
   and bondedto
   ((resi 47 and name CG)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1183  ppm1  1.23 ppm2  9.33 volume   6.04e+06 { 1183 }
assi (((resi 47 and name HG2))
   and bondedto
   ((resi 47 and name CG)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1184  ppm1  1.41 ppm2  9.33 volume   6.04e+06 { 1184 }
assi (((resi 48 and name HA))
   and bondedto
   ((resi 48 and name CA)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 1185  ppm1  4.97 ppm2  0.38 volume   1.55e+08 { 1185 }
assi (((resi 48 and name HA))
   and bondedto
   ((resi 48 and name CA)))
   ((resi 48 and name HG2#))  6.0 0.1 0.1
    peak 1186  ppm1  4.97 ppm2  0.89 volume   3.19e+08 { 1186 }
assi (((resi 48 and name HA))
   and bondedto
   ((resi 48 and name CA)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1187  ppm1  4.96 ppm2  9.33 volume   7.58e+07 { 1187 }
assi (((resi 48 and name HA))
   and bondedto
   ((resi 48 and name CA)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 1188  ppm1  4.97 ppm2  9.04 volume   4.41e+07 { 1188 }
assi (((resi 48 and name HA))
   and bondedto
   ((resi 48 and name CA)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 1189  ppm1  4.97 ppm2  1.37 volume   8.34e+07 { 1189 }
assi (((resi 48 and name HA))
   and bondedto
   ((resi 48 and name CA)))
   ((resi 78 and name HA))  6.0 0.1 0.1
    peak 1190  ppm1  4.96 ppm2  4.11 volume   2.15e+07 { 1190 }
assi (((resi 48 and name HA))
   and bondedto
   ((resi 48 and name CA)))
   ((resi 79 and name HB2))  6.0 0.1 0.1
    peak 1191  ppm1  4.97 ppm2  1.74 volume   8.85e+07 { 1191 }
assi (((resi 48 and name HA))
   and bondedto
   ((resi 48 and name CA)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 1192  ppm1  4.96 ppm2  8.72 volume   1.08e+08 { 1192 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 1193  ppm1  1.64 ppm2  0.72 volume   8.94e+06 { 1193 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 47 and name HA))  6.0 0.1 0.1
    peak 1194  ppm1  1.61 ppm2  5.10 volume   6.18e+06 { 1194 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 48 and name HA))  6.0 0.1 0.1
    peak 1195  ppm1  1.62 ppm2  4.97 volume   7.06e+06 { 1195 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 1196  ppm1  1.63 ppm2  0.40 volume   3.08e+07 { 1196 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 48 and name HG2#))  6.0 0.1 0.1
    peak 1197  ppm1  1.62 ppm2  0.87 volume   3.57e+07 { 1197 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1198  ppm1  1.62 ppm2  9.33 volume   1.06e+07 { 1198 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 50 and name HG2#))  6.0 0.1 0.1
    peak 1199  ppm1  1.61 ppm2  0.07 volume   5.03e+06 { 1199 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 60 and name HG11))  6.0 0.1 0.1
    peak 1200  ppm1  1.61 ppm2  1.28 volume   1.17e+08 { 1200 }
assi (((resi 48 and name HB))
   and bondedto
   ((resi 48 and name CB)))
   ((resi 60 and name HN))  6.0 0.1 0.1
    peak 1201  ppm1  1.63 ppm2  8.96 volume   4.97e+06 { 1201 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 48 and name HA))  6.0 0.1 0.1
    peak 1202  ppm1  0.39 ppm2  4.97 volume   3.46e+07 { 1202 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 48 and name HB))  6.0 0.1 0.1
    peak 1203  ppm1  0.39 ppm2  1.62 volume   5.15e+07 { 1203 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 48 and name HG2#))  6.0 0.1 0.1
    peak 1204  ppm1  0.39 ppm2  0.89 volume   7.03e+08 { 1204 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1205  ppm1  0.39 ppm2  9.33 volume   1.00e+07 { 1205 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 1206  ppm1  0.39 ppm2  5.15 volume   6.42e+06 { 1206 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 49 and name HG2))  6.0 0.1 0.1
    peak 1207  ppm1  0.39 ppm2  1.97 volume   9.37e+06 { 1207 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 1208  ppm1  0.39 ppm2  9.04 volume   3.27e+07 { 1208 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 50 and name HG2#))  6.0 0.1 0.1
    peak 1209  ppm1  0.39 ppm2  0.08 volume   3.13e+08 { 1209 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1210  ppm1  0.39 ppm2  4.42 volume   1.31e+07 { 1210 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 76 and name HB1))  6.0 0.1 0.1
    peak 1211  ppm1  0.39 ppm2  2.23 volume   1.11e+07 { 1211 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 76 and name HE3))  6.0 0.1 0.1
    peak 1212  ppm1  0.39 ppm2  7.33 volume   1.41e+07 { 1212 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 76 and name HH2))  6.0 0.1 0.1
    peak 1213  ppm1  0.39 ppm2  6.94 volume   7.49e+06 { 1213 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 1214  ppm1  0.39 ppm2  1.38 volume   3.58e+07 { 1214 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 77 and name HN))  6.0 0.1 0.1
    peak 1215  ppm1  0.39 ppm2  8.70 volume   2.91e+07 { 1215 }
assi (((resi 48 and name HG1#))
   and bondedto
   ((resi 48 and name CG1)))
   ((resi 78 and name HA))  6.0 0.1 0.1
    peak 1216  ppm1  0.39 ppm2  4.12 volume   1.43e+07 { 1216 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 1217  ppm1  0.92 ppm2  2.84 volume   2.22e+07 { 1217 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 48 and name HA))  6.0 0.1 0.1
    peak 1218  ppm1  0.90 ppm2  4.97 volume   2.37e+08 { 1218 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 48 and name HB))  6.0 0.1 0.1
    peak 1219  ppm1  0.90 ppm2  1.61 volume   5.50e+08 { 1219 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 1220  ppm1  0.90 ppm2  0.39 volume   6.84e+08 { 1220 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1221  ppm1  0.90 ppm2  9.33 volume   1.20e+08 { 1221 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 1222  ppm1  0.92 ppm2  5.17 volume   2.77e+07 { 1222 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 1223  ppm1  0.90 ppm2  9.04 volume   7.92e+07 { 1223 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1224  ppm1  0.93 ppm2  9.56 volume   6.00e+06 { 1224 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1225  ppm1  0.90 ppm2  6.95 volume   2.06e+07 { 1225 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 59 and name HA))  6.0 0.1 0.1
    peak 1226  ppm1  0.92 ppm2  4.81 volume   6.46e+07 { 1226 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 60 and name HN))  6.0 0.1 0.1
    peak 1227  ppm1  0.92 ppm2  8.96 volume   2.52e+07 { 1227 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 76 and name HE3))  6.0 0.1 0.1
    peak 1228  ppm1  0.90 ppm2  7.33 volume   1.71e+07 { 1228 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 77 and name HB1))  6.0 0.1 0.1
    peak 1229  ppm1  0.92 ppm2  2.15 volume   3.20e+08 { 1229 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 1230  ppm1  0.90 ppm2  1.36 volume   7.28e+08 { 1230 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 77 and name HN))  6.0 0.1 0.1
    peak 1231  ppm1  0.90 ppm2  8.71 volume   7.03e+07 { 1231 }
assi (((resi 48 and name HG2#))
   and bondedto
   ((resi 48 and name CG2)))
   ((resi 78 and name HA))  6.0 0.1 0.1
    peak 1232  ppm1  0.90 ppm2  4.12 volume   1.14e+08 { 1232 }
assi (((resi 49 and name HA))
   and bondedto
   ((resi 49 and name CA)))
   ((resi 48 and name HG2#))  6.0 0.1 0.1
    peak 1233  ppm1  5.18 ppm2  0.90 volume   1.86e+07 { 1233 }
assi (((resi 49 and name HA))
   and bondedto
   ((resi 49 and name CA)))
   ((resi 49 and name HG1))  6.0 0.1 0.1
    peak 1234  ppm1  5.17 ppm2  2.16 volume   1.39e+08 { 1234 }
assi (((resi 49 and name HA))
   and bondedto
   ((resi 49 and name CA)))
   ((resi 49 and name HG2))  6.0 0.1 0.1
    peak 1235  ppm1  5.17 ppm2  1.98 volume   3.97e+08 { 1235 }
assi (((resi 49 and name HA))
   and bondedto
   ((resi 49 and name CA)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 1236  ppm1  5.16 ppm2  9.03 volume   1.27e+08 { 1236 }
assi (((resi 49 and name HA))
   and bondedto
   ((resi 49 and name CA)))
   ((resi 50 and name HG2#))  6.0 0.1 0.1
    peak 1237  ppm1  5.17 ppm2  0.08 volume   7.15e+06 { 1237 }
assi (((resi 49 and name HA))
   and bondedto
   ((resi 49 and name CA)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1238  ppm1  5.17 ppm2  9.56 volume   4.73e+07 { 1238 }
assi (((resi 49 and name HA))
   and bondedto
   ((resi 49 and name CA)))
   ((resi 59 and name HA))  6.0 0.1 0.1
    peak 1239  ppm1  5.18 ppm2  4.82 volume   1.87e+08 { 1239 }
assi (((resi 49 and name HA))
   and bondedto
   ((resi 49 and name CA)))
   ((resi 60 and name HN))  6.0 0.1 0.1
    peak 1240  ppm1  5.17 ppm2  8.96 volume   9.33e+07 { 1240 }
assi (((resi 49 and name HB#))
   and bondedto
   ((resi 49 and name CB)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 1241  ppm1  1.99 ppm2  5.18 volume   1.59e+07 { 1241 }
assi (((resi 49 and name HB#))
   and bondedto
   ((resi 49 and name CB)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 1242  ppm1  1.99 ppm2  9.04 volume   1.37e+07 { 1242 }
assi (((resi 49 and name HB#))
   and bondedto
   ((resi 49 and name CB)))
   ((resi 77 and name HG2))  6.0 0.1 0.1
    peak 1243  ppm1  1.99 ppm2  1.17 volume   9.99e+07 { 1243 }
assi (((resi 49 and name HG1))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 47 and name HB2))  6.0 0.1 0.1
    peak 1244  ppm1  2.17 ppm2  1.57 volume   1.36e+08 { 1244 }
assi (((resi 49 and name HG2))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 47 and name HB2))  6.0 0.1 0.1
    peak 1245  ppm1  1.98 ppm2  1.55 volume   1.00e+08 { 1245 }
assi (((resi 49 and name HG1))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 47 and name HG1))  6.0 0.1 0.1
    peak 1246  ppm1  2.15 ppm2  1.27 volume   5.98e+07 { 1246 }
assi (((resi 49 and name HG2))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 47 and name HG1))  6.0 0.1 0.1
    peak 1247  ppm1  1.98 ppm2  1.25 volume   6.29e+07 { 1247 }
assi (((resi 49 and name HG1))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 48 and name HG2#))  6.0 0.1 0.1
    peak 1248  ppm1  2.17 ppm2  0.89 volume   2.59e+07 { 1248 }
assi (((resi 49 and name HG2))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 48 and name HG2#))  6.0 0.1 0.1
    peak 1249  ppm1  1.98 ppm2  0.90 volume   2.75e+07 { 1249 }
assi (((resi 49 and name HG1))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 1250  ppm1  2.16 ppm2  5.17 volume   8.07e+06 { 1250 }
assi (((resi 49 and name HG2))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 1251  ppm1  1.98 ppm2  5.18 volume   1.19e+07 { 1251 }
assi (((resi 49 and name HG1))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 49 and name HG2))  6.0 0.1 0.1
    peak 1252  ppm1  2.17 ppm2  2.02 volume   2.30e+09 { 1252 }
assi (((resi 49 and name HG1))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 1253  ppm1  2.16 ppm2  9.03 volume   6.36e+06 { 1253 }
assi (((resi 49 and name HG2))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 1254  ppm1  1.99 ppm2  9.01 volume   6.45e+06 { 1254 }
assi (((resi 49 and name HG1))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1255  ppm1  2.17 ppm2  9.57 volume   4.29e+06 { 1255 }
assi (((resi 49 and name HG2))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1256  ppm1  1.99 ppm2  9.58 volume   5.93e+06 { 1256 }
assi (((resi 49 and name HG1))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 59 and name HA))  6.0 0.1 0.1
    peak 1257  ppm1  2.17 ppm2  4.80 volume   1.47e+08 { 1257 }
assi (((resi 49 and name HG2))
   and bondedto
   ((resi 49 and name CG)))
   ((resi 59 and name HA))  6.0 0.1 0.1
    peak 1258  ppm1  1.99 ppm2  4.80 volume   7.97e+07 { 1258 }
assi (((resi 50 and name HA))
   and bondedto
   ((resi 50 and name CA)))
   ((resi 50 and name HB))  6.0 0.1 0.1
    peak 1259  ppm1  4.98 ppm2  1.88 volume   1.07e+08 { 1259 }
assi (((resi 50 and name HA))
   and bondedto
   ((resi 50 and name CA)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1260  ppm1  4.98 ppm2  0.85 volume   2.86e+08 { 1260 }
assi (((resi 50 and name HA))
   and bondedto
   ((resi 50 and name CA)))
   ((resi 50 and name HG2#))  6.0 0.1 0.1
    peak 1261  ppm1  4.98 ppm2  0.09 volume   2.21e+08 { 1261 }
assi (((resi 50 and name HA))
   and bondedto
   ((resi 50 and name CA)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1262  ppm1  4.97 ppm2  9.56 volume   5.08e+07 { 1262 }
assi (((resi 50 and name HA))
   and bondedto
   ((resi 50 and name CA)))
   ((resi 51 and name HN))  6.0 0.1 0.1
    peak 1263  ppm1  4.98 ppm2  9.01 volume   4.55e+07 { 1263 }
assi (((resi 50 and name HA))
   and bondedto
   ((resi 50 and name CA)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1264  ppm1  4.98 ppm2  4.43 volume   1.31e+08 { 1264 }
assi (((resi 50 and name HA))
   and bondedto
   ((resi 50 and name CA)))
   ((resi 77 and name HN))  6.0 0.1 0.1
    peak 1265  ppm1  4.97 ppm2  8.70 volume   4.82e+07 { 1265 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 1266  ppm1  1.90 ppm2  5.19 volume   4.85e+06 { 1266 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 50 and name HA))  6.0 0.1 0.1
    peak 1267  ppm1  1.90 ppm2  4.97 volume   4.11e+06 { 1267 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1268  ppm1  1.90 ppm2  0.85 volume   2.63e+08 { 1268 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 50 and name HG2#))  6.0 0.1 0.1
    peak 1269  ppm1  1.89 ppm2  0.08 volume   2.38e+07 { 1269 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1270  ppm1  1.90 ppm2  9.56 volume   1.24e+08 { 1270 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 58 and name HB1))  6.0 0.1 0.1
    peak 1271  ppm1  1.90 ppm2  2.75 volume   7.68e+06 { 1271 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 58 and name HB2))  6.0 0.1 0.1
    peak 1272  ppm1  1.89 ppm2  2.50 volume   1.11e+08 { 1272 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1273  ppm1  1.90 ppm2  6.97 volume   7.81e+06 { 1273 }
assi (((resi 50 and name HB))
   and bondedto
   ((resi 50 and name CB)))
   ((resi 60 and name HG2#))  6.0 0.1 0.1
    peak 1274  ppm1  1.90 ppm2  0.41 volume   3.40e+07 { 1274 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 50 and name HA))  6.0 0.1 0.1
    peak 1275  ppm1  0.85 ppm2  4.97 volume   4.34e+07 { 1275 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 50 and name HG2#))  6.0 0.1 0.1
    peak 1276  ppm1  0.85 ppm2  0.08 volume   1.06e+08 { 1276 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1277  ppm1  0.84 ppm2  9.57 volume   1.05e+07 { 1277 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 51 and name HG2#))  6.0 0.1 0.1
    peak 1278  ppm1  0.83 ppm2  1.25 volume   2.91e+08 { 1278 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 51 and name HN))  6.0 0.1 0.1
    peak 1279  ppm1  0.84 ppm2  9.00 volume   4.01e+07 { 1279 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 57 and name HB#))  6.0 0.1 0.1
    peak 1280  ppm1  0.84 ppm2  1.58 volume   4.86e+08 { 1280 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 58 and name HB1))  6.0 0.1 0.1
    peak 1281  ppm1  0.84 ppm2  2.79 volume   3.82e+07 { 1281 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1282  ppm1  0.85 ppm2  6.95 volume   4.24e+07 { 1282 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 74 and name HA))  6.0 0.1 0.1
    peak 1283  ppm1  0.85 ppm2  5.46 volume   1.57e+07 { 1283 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 74 and name HB1))  6.0 0.1 0.1
    peak 1284  ppm1  0.85 ppm2  3.10 volume   1.61e+07 { 1284 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1285  ppm1  0.85 ppm2  4.42 volume   5.44e+06 { 1285 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 76 and name HN))  6.0 0.1 0.1
    peak 1286  ppm1  0.83 ppm2  9.32 volume   1.20e+07 { 1286 }
assi (((resi 50 and name HG1#))
   and bondedto
   ((resi 50 and name CG1)))
   ((resi 77 and name HN))  6.0 0.1 0.1
    peak 1287  ppm1  0.84 ppm2  8.70 volume   7.92e+06 { 1287 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 1288  ppm1  0.09 ppm2  0.40 volume   5.11e+08 { 1288 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 1289  ppm1  0.09 ppm2  5.17 volume   7.13e+06 { 1289 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 50 and name HA))  6.0 0.1 0.1
    peak 1290  ppm1  0.09 ppm2  4.98 volume   3.61e+07 { 1290 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 50 and name HB))  6.0 0.1 0.1
    peak 1291  ppm1  0.09 ppm2  1.89 volume   5.18e+07 { 1291 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1292  ppm1  0.09 ppm2  0.84 volume   6.81e+08 { 1292 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1293  ppm1  0.09 ppm2  9.57 volume   1.83e+07 { 1293 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 51 and name HN))  6.0 0.1 0.1
    peak 1294  ppm1  0.09 ppm2  9.01 volume   1.34e+07 { 1294 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 52 and name HG2#))  6.0 0.1 0.1
    peak 1295  ppm1  0.09 ppm2  1.60 volume   1.57e+07 { 1295 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 57 and name HG#))  6.0 0.1 0.1
    peak 1296  ppm1  0.09 ppm2  1.27 volume   7.95e+06 { 1296 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 58 and name HB1))  6.0 0.1 0.1
    peak 1297  ppm1  0.09 ppm2  2.76 volume   5.15e+06 { 1297 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 58 and name HB2))  6.0 0.1 0.1
    peak 1298  ppm1  0.09 ppm2  2.50 volume   4.70e+06 { 1298 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1299  ppm1  0.09 ppm2  6.95 volume   2.80e+07 { 1299 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 68 and name HZ))  6.0 0.1 0.1
    peak 1300  ppm1  0.09 ppm2  6.58 volume   1.14e+07 { 1300 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1301  ppm1  0.09 ppm2  4.42 volume   1.49e+07 { 1301 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 76 and name HD1))  6.0 0.1 0.1
    peak 1302  ppm1  0.09 ppm2  7.05 volume   4.31e+07 { 1302 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 76 and name HN))  6.0 0.1 0.1
    peak 1303  ppm1  0.09 ppm2  9.33 volume   5.67e+06 { 1303 }
assi (((resi 50 and name HG2#))
   and bondedto
   ((resi 50 and name CG2)))
   ((resi 77 and name HN))  6.0 0.1 0.1
    peak 1304  ppm1  0.09 ppm2  8.69 volume   1.21e+07 { 1304 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 50 and name HA))  6.0 0.1 0.1
    peak 1305  ppm1  5.63 ppm2  4.98 volume   5.40e+06 { 1305 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1306  ppm1  5.63 ppm2  0.86 volume   4.90e+06 { 1306 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 51 and name HB))  6.0 0.1 0.1
    peak 1307  ppm1  5.63 ppm2  4.02 volume   1.06e+07 { 1307 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 51 and name HG2#))  6.0 0.1 0.1
    peak 1308  ppm1  5.62 ppm2  1.25 volume   4.97e+07 { 1308 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 51 and name HN))  6.0 0.1 0.1
    peak 1309  ppm1  5.63 ppm2  9.01 volume   6.61e+06 { 1309 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 52 and name HN))  6.0 0.1 0.1
    peak 1310  ppm1  5.62 ppm2  9.63 volume   5.74e+07 { 1310 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 57 and name HA))  6.0 0.1 0.1
    peak 1311  ppm1  5.63 ppm2  5.33 volume   2.74e+07 { 1311 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 57 and name HD#))  6.0 0.1 0.1
    peak 1312  ppm1  5.63 ppm2  1.56 volume   2.08e+07 { 1312 }
assi (((resi 51 and name HA))
   and bondedto
   ((resi 51 and name CA)))
   ((resi 58 and name HN))  6.0 0.1 0.1
    peak 1313  ppm1  5.63 ppm2  9.32 volume   1.12e+07 { 1313 }
assi (((resi 51 and name HB))
   and bondedto
   ((resi 51 and name CB)))
   ((resi 50 and name HA))  6.0 0.1 0.1
    peak 1314  ppm1  4.02 ppm2  4.97 volume   5.24e+06 { 1314 }
assi (((resi 51 and name HB))
   and bondedto
   ((resi 51 and name CB)))
   ((resi 51 and name HA))  6.0 0.1 0.1
    peak 1315  ppm1  4.03 ppm2  5.63 volume   1.12e+07 { 1315 }
assi (((resi 51 and name HB))
   and bondedto
   ((resi 51 and name CB)))
   ((resi 51 and name HG2#))  6.0 0.1 0.1
    peak 1316  ppm1  4.02 ppm2  1.25 volume   5.60e+07 { 1316 }
assi (((resi 51 and name HB))
   and bondedto
   ((resi 51 and name CB)))
   ((resi 51 and name HN))  6.0 0.1 0.1
    peak 1317  ppm1  4.02 ppm2  9.01 volume   1.62e+07 { 1317 }
assi (((resi 51 and name HB))
   and bondedto
   ((resi 51 and name CB)))
   ((resi 52 and name HN))  6.0 0.1 0.1
    peak 1318  ppm1  4.02 ppm2  9.63 volume   8.30e+06 { 1318 }
assi (((resi 51 and name HB))
   and bondedto
   ((resi 51 and name CB)))
   ((resi 75 and name HB1))  6.0 0.1 0.1
    peak 1319  ppm1  4.03 ppm2  1.80 volume   7.62e+06 { 1319 }
assi (((resi 51 and name HB))
   and bondedto
   ((resi 51 and name CB)))
   ((resi 75 and name HB2))  6.0 0.1 0.1
    peak 1320  ppm1  4.02 ppm2  1.89 volume   9.81e+06 { 1320 }
assi (((resi 51 and name HB))
   and bondedto
   ((resi 51 and name CB)))
   ((resi 75 and name HG#))  6.0 0.1 0.1
    peak 1321  ppm1  4.02 ppm2  1.54 volume   8.10e+06 { 1321 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 51 and name HA))  6.0 0.1 0.1
    peak 1322  ppm1  1.26 ppm2  5.63 volume   5.57e+07 { 1322 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 51 and name HB))  6.0 0.1 0.1
    peak 1323  ppm1  1.26 ppm2  4.02 volume   7.38e+07 { 1323 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 51 and name HN))  6.0 0.1 0.1
    peak 1324  ppm1  1.26 ppm2  9.02 volume   8.43e+06 { 1324 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 52 and name HN))  6.0 0.1 0.1
    peak 1325  ppm1  1.26 ppm2  9.63 volume   3.49e+07 { 1325 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 55 and name HA2))  6.0 0.1 0.1
    peak 1326  ppm1  1.26 ppm2  3.60 volume   2.08e+07 { 1326 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 55 and name HN))  6.0 0.1 0.1
    peak 1327  ppm1  1.25 ppm2  8.14 volume   5.76e+06 { 1327 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 56 and name HA))  6.0 0.1 0.1
    peak 1328  ppm1  1.25 ppm2  4.21 volume   2.24e+07 { 1328 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 56 and name HB1))  6.0 0.1 0.1
    peak 1329  ppm1  1.26 ppm2  1.92 volume   4.29e+07 { 1329 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 57 and name HA))  6.0 0.1 0.1
    peak 1330  ppm1  1.25 ppm2  5.33 volume   1.69e+07 { 1330 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 57 and name HB#))  6.0 0.1 0.1
    peak 1331  ppm1  1.26 ppm2  1.54 volume   2.94e+08 { 1331 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 57 and name HE#))  6.0 0.1 0.1
    peak 1332  ppm1  1.26 ppm2  2.84 volume   1.45e+07 { 1332 }
assi (((resi 51 and name HG2#))
   and bondedto
   ((resi 51 and name CG2)))
   ((resi 58 and name HN))  6.0 0.1 0.1
    peak 1333  ppm1  1.25 ppm2  9.32 volume   3.95e+06 { 1333 }
assi (((resi 52 and name HB))
   and bondedto
   ((resi 52 and name CB)))
   ((resi 52 and name HA))  6.0 0.1 0.1
    peak 1334  ppm1  5.01 ppm2  4.73 volume   3.83e+08 { 1334 }
assi (((resi 52 and name HB))
   and bondedto
   ((resi 52 and name CB)))
   ((resi 52 and name HG2#))  6.0 0.1 0.1
    peak 1335  ppm1  5.01 ppm2  1.57 volume   2.41e+08 { 1335 }
assi (((resi 52 and name HB))
   and bondedto
   ((resi 52 and name CB)))
   ((resi 53 and name HB1))  6.0 0.1 0.1
    peak 1336  ppm1  5.01 ppm2  2.21 volume   3.79e+07 { 1336 }
assi (((resi 52 and name HB))
   and bondedto
   ((resi 52 and name CB)))
   ((resi 53 and name HN))  6.0 0.1 0.1
    peak 1337  ppm1  5.01 ppm2  8.61 volume   6.12e+06 { 1337 }
assi (((resi 52 and name HB))
   and bondedto
   ((resi 52 and name CB)))
   ((resi 72 and name HD*))  6.0 0.1 0.1
    peak 1338  ppm1  5.01 ppm2  1.16 volume   1.16e+07 { 1338 }
assi (((resi 52 and name HB))
   and bondedto
   ((resi 52 and name CB)))
   ((resi 72 and name HG))  6.0 0.1 0.1
    peak 1339  ppm1  5.01 ppm2  1.02 volume   4.57e+06 { 1339 }
assi (((resi 52 and name HB))
   and bondedto
   ((resi 52 and name CB)))
   ((resi 74 and name HB1))  6.0 0.1 0.1
    peak 1340  ppm1  5.01 ppm2  3.13 volume   2.64e+07 { 1340 }
assi (((resi 52 and name HB))
   and bondedto
   ((resi 52 and name CB)))
   ((resi 74 and name HB2))  6.0 0.1 0.1
    peak 1341  ppm1  5.01 ppm2  2.74 volume   4.72e+07 { 1341 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 1342  ppm1  1.57 ppm2  0.49 volume   2.06e+07 { 1342 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 50 and name HB))  6.0 0.1 0.1
    peak 1343  ppm1  1.57 ppm2  1.90 volume   1.84e+08 { 1343 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1344  ppm1  1.57 ppm2  0.84 volume   1.28e+08 { 1344 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 51 and name HA))  6.0 0.1 0.1
    peak 1345  ppm1  1.57 ppm2  5.62 volume   6.86e+06 { 1345 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 52 and name HB))  6.0 0.1 0.1
    peak 1346  ppm1  1.57 ppm2  5.01 volume   3.72e+07 { 1346 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 52 and name HN))  6.0 0.1 0.1
    peak 1347  ppm1  1.57 ppm2  9.63 volume   3.42e+07 { 1347 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 53 and name HN))  6.0 0.1 0.1
    peak 1348  ppm1  1.57 ppm2  8.58 volume   1.61e+07 { 1348 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1349  ppm1  1.57 ppm2  6.96 volume   2.42e+07 { 1349 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 58 and name HE#))  6.0 0.1 0.1
    peak 1350  ppm1  1.57 ppm2  6.81 volume   4.28e+07 { 1350 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 72 and name HD*))  6.0 0.1 0.1
    peak 1351  ppm1  1.57 ppm2  1.17 volume   3.65e+08 { 1351 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 72 and name HG))  6.0 0.1 0.1
    peak 1352  ppm1  1.57 ppm2  1.00 volume   1.26e+08 { 1352 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 74 and name HA))  6.0 0.1 0.1
    peak 1353  ppm1  1.57 ppm2  5.47 volume   7.92e+06 { 1353 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 74 and name HB1))  6.0 0.1 0.1
    peak 1354  ppm1  1.57 ppm2  3.11 volume   1.27e+07 { 1354 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 74 and name HB2))  6.0 0.1 0.1
    peak 1355  ppm1  1.57 ppm2  2.77 volume   9.86e+06 { 1355 }
assi (((resi 52 and name HG2#))
   and bondedto
   ((resi 52 and name CG2)))
   ((resi 74 and name HN))  6.0 0.1 0.1
    peak 1356  ppm1  1.57 ppm2  9.07 volume   1.30e+07 { 1356 }
assi (((resi 53 and name HA))
   and bondedto
   ((resi 53 and name CA)))
   ((resi 53 and name HB1))  6.0 0.1 0.1
    peak 1357  ppm1  4.18 ppm2  2.20 volume   4.35e+08 { 1357 }
assi (((resi 53 and name HA))
   and bondedto
   ((resi 53 and name CA)))
   ((resi 53 and name HG#))  6.0 0.1 0.1
    peak 1358  ppm1  4.18 ppm2  2.38 volume   2.60e+08 { 1358 }
assi (((resi 53 and name HA))
   and bondedto
   ((resi 53 and name CA)))
   ((resi 53 and name HN))  6.0 0.1 0.1
    peak 1359  ppm1  4.18 ppm2  8.59 volume   1.25e+07 { 1359 }
assi (((resi 53 and name HB2))
   and bondedto
   ((resi 53 and name CB)))
   ((resi 53 and name HA))  6.0 0.1 0.1
    peak 1360  ppm1  2.23 ppm2  4.19 volume   1.23e+07 { 1360 }
assi (((resi 53 and name HB1))
   and bondedto
   ((resi 53 and name CB)))
   ((resi 53 and name HN))  6.0 0.1 0.1
    peak 1361  ppm1  2.21 ppm2  8.62 volume   8.55e+06 { 1361 }
assi (((resi 53 and name HG#))
   and bondedto
   ((resi 53 and name CG)))
   ((resi 53 and name HA))  6.0 0.1 0.1
    peak 1362  ppm1  2.39 ppm2  4.18 volume   2.94e+07 { 1362 }
assi (((resi 53 and name HG#))
   and bondedto
   ((resi 53 and name CG)))
   ((resi 53 and name HN))  6.0 0.1 0.1
    peak 1363  ppm1  2.39 ppm2  8.59 volume   8.92e+06 { 1363 }
assi (((resi 54 and name HB1))
   and bondedto
   ((resi 54 and name CB)))
   ((resi 54 and name HA))  6.0 0.1 0.1
    peak 1364  ppm1  2.70 ppm2  4.69 volume   4.72e+07 { 1364 }
assi (((resi 54 and name HB2))
   and bondedto
   ((resi 54 and name CB)))
   ((resi 54 and name HA))  6.0 0.1 0.1
    peak 1365  ppm1  2.88 ppm2  4.70 volume   4.74e+07 { 1365 }
assi (((resi 54 and name HB2))
   and bondedto
   ((resi 54 and name CB)))
   ((resi 54 and name HB1))  6.0 0.1 0.1
    peak 1366  ppm1  2.88 ppm2  2.70 volume   1.27e+09 { 1366 }
assi (((resi 54 and name HB1))
   and bondedto
   ((resi 54 and name CB)))
   ((resi 54 and name HB2))  6.0 0.1 0.1
    peak 1367  ppm1  2.71 ppm2  2.88 volume   1.31e+09 { 1367 }
assi (((resi 54 and name HB1))
   and bondedto
   ((resi 54 and name CB)))
   ((resi 54 and name HN))  6.0 0.1 0.1
    peak 1368  ppm1  2.71 ppm2  8.25 volume   3.67e+07 { 1368 }
assi (((resi 54 and name HB2))
   and bondedto
   ((resi 54 and name CB)))
   ((resi 54 and name HN))  6.0 0.1 0.1
    peak 1369  ppm1  2.87 ppm2  8.24 volume   4.14e+07 { 1369 }
assi (((resi 55 and name HA1))
   and bondedto
   ((resi 55 and name CA)))
   ((resi 51 and name HG2#))  6.0 0.1 0.1
    peak 1370  ppm1  4.22 ppm2  1.25 volume   2.12e+07 { 1370 }
assi (((resi 55 and name HA2))
   and bondedto
   ((resi 55 and name CA)))
   ((resi 51 and name HG2#))  6.0 0.1 0.1
    peak 1371  ppm1  3.61 ppm2  1.25 volume   1.96e+07 { 1371 }
assi (((resi 55 and name HA2))
   and bondedto
   ((resi 55 and name CA)))
   ((resi 55 and name HA1))  6.0 0.1 0.1
    peak 1372  ppm1  3.60 ppm2  4.22 volume   1.33e+08 { 1372 }
assi (((resi 55 and name HA1))
   and bondedto
   ((resi 55 and name CA)))
   ((resi 55 and name HA2))  6.0 0.1 0.1
    peak 1373  ppm1  4.23 ppm2  3.60 volume   1.29e+09 { 1373 }
assi (((resi 55 and name HA1))
   and bondedto
   ((resi 55 and name CA)))
   ((resi 55 and name HN))  6.0 0.1 0.1
    peak 1374  ppm1  4.22 ppm2  8.13 volume   3.18e+07 { 1374 }
assi (((resi 55 and name HA2))
   and bondedto
   ((resi 55 and name CA)))
   ((resi 55 and name HN))  6.0 0.1 0.1
    peak 1375  ppm1  3.61 ppm2  8.13 volume   3.47e+07 { 1375 }
assi (((resi 55 and name HA1))
   and bondedto
   ((resi 55 and name CA)))
   ((resi 56 and name HN))  6.0 0.1 0.1
    peak 1376  ppm1  4.21 ppm2  7.55 volume   1.16e+07 { 1376 }
assi (((resi 55 and name HA2))
   and bondedto
   ((resi 55 and name CA)))
   ((resi 56 and name HN))  6.0 0.1 0.1
    peak 1377  ppm1  3.61 ppm2  7.55 volume   1.00e+07 { 1377 }
assi (((resi 56 and name HA))
   and bondedto
   ((resi 56 and name CA)))
   ((resi 56 and name HB1))  6.0 0.1 0.1
    peak 1378  ppm1  4.22 ppm2  1.91 volume   2.52e+08 { 1378 }
assi (((resi 56 and name HA))
   and bondedto
   ((resi 56 and name CA)))
   ((resi 56 and name HB2))  6.0 0.1 0.1
    peak 1379  ppm1  4.22 ppm2  1.55 volume   4.29e+08 { 1379 }
assi (((resi 56 and name HA))
   and bondedto
   ((resi 56 and name CA)))
   ((resi 56 and name HG1))  6.0 0.1 0.1
    peak 1380  ppm1  4.22 ppm2  1.31 volume   2.35e+08 { 1380 }
assi (((resi 56 and name HA))
   and bondedto
   ((resi 56 and name CA)))
   ((resi 56 and name HG2))  6.0 0.1 0.1
    peak 1381  ppm1  4.22 ppm2  1.19 volume   2.69e+08 { 1381 }
assi (((resi 56 and name HA))
   and bondedto
   ((resi 56 and name CA)))
   ((resi 56 and name HN))  6.0 0.1 0.1
    peak 1382  ppm1  4.22 ppm2  7.57 volume   1.64e+07 { 1382 }
assi (((resi 56 and name HA))
   and bondedto
   ((resi 56 and name CA)))
   ((resi 57 and name HA))  6.0 0.1 0.1
    peak 1383  ppm1  4.22 ppm2  5.31 volume   2.08e+07 { 1383 }
assi (((resi 56 and name HA))
   and bondedto
   ((resi 56 and name CA)))
   ((resi 57 and name HN))  6.0 0.1 0.1
    peak 1384  ppm1  4.22 ppm2  7.94 volume   8.94e+07 { 1384 }
assi (((resi 56 and name HB1))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HA))  6.0 0.1 0.1
    peak 1385  ppm1  1.90 ppm2  4.22 volume   1.13e+08 { 1385 }
assi (((resi 56 and name HB2))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HA))  6.0 0.1 0.1
    peak 1386  ppm1  1.56 ppm2  4.22 volume   2.03e+07 { 1386 }
assi (((resi 56 and name HB2))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HB1))  6.0 0.1 0.1
    peak 1387  ppm1  1.56 ppm2  1.91 volume   5.02e+08 { 1387 }
assi (((resi 56 and name HB1))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HB2))  6.0 0.1 0.1
    peak 1388  ppm1  1.91 ppm2  1.55 volume   8.57e+08 { 1388 }
assi (((resi 56 and name HB1))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HG1))  6.0 0.1 0.1
    peak 1389  ppm1  1.92 ppm2  1.32 volume   1.93e+08 { 1389 }
assi (((resi 56 and name HB2))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HG1))  6.0 0.1 0.1
    peak 1390  ppm1  1.55 ppm2  1.32 volume   3.35e+08 { 1390 }
assi (((resi 56 and name HB1))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HG2))  6.0 0.1 0.1
    peak 1391  ppm1  1.92 ppm2  1.20 volume   1.45e+08 { 1391 }
assi (((resi 56 and name HB2))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HG2))  6.0 0.1 0.1
    peak 1392  ppm1  1.56 ppm2  1.19 volume   2.02e+08 { 1392 }
assi (((resi 56 and name HB1))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HN))  6.0 0.1 0.1
    peak 1393  ppm1  1.93 ppm2  7.55 volume   1.63e+07 { 1393 }
assi (((resi 56 and name HB2))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 56 and name HN))  6.0 0.1 0.1
    peak 1394  ppm1  1.56 ppm2  7.56 volume   9.55e+06 { 1394 }
assi (((resi 56 and name HB1))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 57 and name HN))  6.0 0.1 0.1
    peak 1395  ppm1  1.93 ppm2  7.92 volume   4.71e+07 { 1395 }
assi (((resi 56 and name HB2))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 57 and name HN))  6.0 0.1 0.1
    peak 1396  ppm1  1.56 ppm2  7.93 volume   9.28e+07 { 1396 }
assi (((resi 56 and name HB1))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 58 and name HE#))  6.0 0.1 0.1
    peak 1397  ppm1  1.91 ppm2  6.80 volume   8.25e+06 { 1397 }
assi (((resi 56 and name HB2))
   and bondedto
   ((resi 56 and name CB)))
   ((resi 58 and name HE#))  6.0 0.1 0.1
    peak 1398  ppm1  1.56 ppm2  6.80 volume   7.22e+06 { 1398 }
assi (((resi 56 and name HD#))
   and bondedto
   ((resi 56 and name CD)))
   ((resi 56 and name HN))  6.0 0.1 0.1
    peak 1399  ppm1  1.70 ppm2  7.55 volume   6.49e+06 { 1399 }
assi (((resi 56 and name HG1))
   and bondedto
   ((resi 56 and name CG)))
   ((resi 54 and name HB2))  6.0 0.1 0.1
    peak 1400  ppm1  1.33 ppm2  2.91 volume   1.17e+07 { 1400 }
assi (((resi 56 and name HG2))
   and bondedto
   ((resi 56 and name CG)))
   ((resi 54 and name HB2))  6.0 0.1 0.1
    peak 1401  ppm1  1.19 ppm2  2.92 volume   1.38e+07 { 1401 }
assi (((resi 56 and name HG1))
   and bondedto
   ((resi 56 and name CG)))
   ((resi 56 and name HA))  6.0 0.1 0.1
    peak 1402  ppm1  1.32 ppm2  4.22 volume   1.21e+07 { 1402 }
assi (((resi 56 and name HG2))
   and bondedto
   ((resi 56 and name CG)))
   ((resi 56 and name HA))  6.0 0.1 0.1
    peak 1403  ppm1  1.19 ppm2  4.22 volume   1.65e+07 { 1403 }
assi (((resi 56 and name HG1))
   and bondedto
   ((resi 56 and name CG)))
   ((resi 56 and name HN))  6.0 0.1 0.1
    peak 1404  ppm1  1.32 ppm2  7.55 volume   8.20e+06 { 1404 }
assi (((resi 56 and name HG2))
   and bondedto
   ((resi 56 and name CG)))
   ((resi 56 and name HN))  6.0 0.1 0.1
    peak 1405  ppm1  1.19 ppm2  7.56 volume   6.93e+06 { 1405 }
assi (((resi 56 and name HG1))
   and bondedto
   ((resi 56 and name CG)))
   ((resi 57 and name HN))  6.0 0.1 0.1
    peak 1406  ppm1  1.32 ppm2  7.93 volume   6.50e+06 { 1406 }
assi (((resi 56 and name HG2))
   and bondedto
   ((resi 56 and name CG)))
   ((resi 57 and name HN))  6.0 0.1 0.1
    peak 1407  ppm1  1.18 ppm2  7.94 volume   5.30e+06 { 1407 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 50 and name HB))  6.0 0.1 0.1
    peak 1408  ppm1  5.33 ppm2  1.88 volume   1.23e+07 { 1408 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 51 and name HA))  6.0 0.1 0.1
    peak 1409  ppm1  5.33 ppm2  5.63 volume   2.36e+08 { 1409 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 52 and name HN))  6.0 0.1 0.1
    peak 1410  ppm1  5.33 ppm2  9.62 volume   1.15e+07 { 1410 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 56 and name HA))  6.0 0.1 0.1
    peak 1411  ppm1  5.33 ppm2  4.22 volume   7.69e+05 { 1411 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 57 and name HD#))  6.0 0.1 0.1
    peak 1412  ppm1  5.33 ppm2  1.54 volume   4.46e+08 { 1412 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 57 and name HG#))  6.0 0.1 0.1
    peak 1413  ppm1  5.33 ppm2  1.26 volume   3.20e+07 { 1413 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 57 and name HN))  6.0 0.1 0.1
    peak 1414  ppm1  5.32 ppm2  7.95 volume   4.13e+06 { 1414 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 58 and name HB2))  6.0 0.1 0.1
    peak 1415  ppm1  5.33 ppm2  2.50 volume   7.18e+06 { 1415 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1416  ppm1  5.34 ppm2  6.99 volume   6.20e+06 { 1416 }
assi (((resi 57 and name HA))
   and bondedto
   ((resi 57 and name CA)))
   ((resi 58 and name HN))  6.0 0.1 0.1
    peak 1417  ppm1  5.33 ppm2  9.32 volume   5.57e+07 { 1417 }
assi (((resi 57 and name HB#))
   and bondedto
   ((resi 57 and name CB)))
   ((resi 51 and name HA))  6.0 0.1 0.1
    peak 1418  ppm1  1.55 ppm2  5.63 volume   3.97e+06 { 1418 }
assi (((resi 57 and name HB#))
   and bondedto
   ((resi 57 and name CB)))
   ((resi 56 and name HA))  6.0 0.1 0.1
    peak 1419  ppm1  1.55 ppm2  4.22 volume   6.35e+06 { 1419 }
assi (((resi 57 and name HB#))
   and bondedto
   ((resi 57 and name CB)))
   ((resi 57 and name HA))  6.0 0.1 0.1
    peak 1420  ppm1  1.54 ppm2  5.33 volume   1.99e+07 { 1420 }
assi (((resi 57 and name HB#))
   and bondedto
   ((resi 57 and name CB)))
   ((resi 57 and name HE#))  6.0 0.1 0.1
    peak 1421  ppm1  1.54 ppm2  2.84 volume   1.02e+07 { 1421 }
assi (((resi 57 and name HB#))
   and bondedto
   ((resi 57 and name CB)))
   ((resi 57 and name HG#))  6.0 0.1 0.1
    peak 1422  ppm1  1.54 ppm2  1.28 volume   8.97e+08 { 1422 }
assi (((resi 57 and name HB#))
   and bondedto
   ((resi 57 and name CB)))
   ((resi 57 and name HN))  6.0 0.1 0.1
    peak 1423  ppm1  1.54 ppm2  7.94 volume   2.09e+07 { 1423 }
assi (((resi 57 and name HB#))
   and bondedto
   ((resi 57 and name CB)))
   ((resi 58 and name HN))  6.0 0.1 0.1
    peak 1424  ppm1  1.55 ppm2  9.32 volume   7.74e+06 { 1424 }
assi (((resi 57 and name HD#))
   and bondedto
   ((resi 57 and name CD)))
   ((resi 57 and name HA))  6.0 0.1 0.1
    peak 1425  ppm1  1.54 ppm2  5.33 volume   6.29e+06 { 1425 }
assi (((resi 57 and name HD#))
   and bondedto
   ((resi 57 and name CD)))
   ((resi 57 and name HE#))  6.0 0.1 0.1
    peak 1426  ppm1  1.55 ppm2  2.85 volume   4.89e+07 { 1426 }
assi (((resi 57 and name HD#))
   and bondedto
   ((resi 57 and name CD)))
   ((resi 57 and name HG#))  6.0 0.1 0.1
    peak 1427  ppm1  1.55 ppm2  1.28 volume   1.61e+09 { 1427 }
assi (((resi 57 and name HD#))
   and bondedto
   ((resi 57 and name CD)))
   ((resi 57 and name HN))  6.0 0.1 0.1
    peak 1428  ppm1  1.54 ppm2  7.94 volume   5.34e+06 { 1428 }
assi (((resi 57 and name HD#))
   and bondedto
   ((resi 57 and name CD)))
   ((resi 58 and name HN))  6.0 0.1 0.1
    peak 1429  ppm1  1.54 ppm2  9.33 volume   3.42e+06 { 1429 }
assi (((resi 57 and name HD#))
   and bondedto
   ((resi 57 and name CD)))
   ((resi 59 and name HG2#))  6.0 0.1 0.1
    peak 1430  ppm1  1.55 ppm2  0.91 volume   1.29e+08 { 1430 }
assi (((resi 57 and name HG#))
   and bondedto
   ((resi 57 and name CG)))
   ((resi 57 and name HA))  6.0 0.1 0.1
    peak 1431  ppm1  1.27 ppm2  5.34 volume   1.23e+07 { 1431 }
assi (((resi 57 and name HG#))
   and bondedto
   ((resi 57 and name CG)))
   ((resi 57 and name HD#))  6.0 0.1 0.1
    peak 1432  ppm1  1.28 ppm2  1.56 volume   2.24e+09 { 1432 }
assi (((resi 57 and name HG#))
   and bondedto
   ((resi 57 and name CG)))
   ((resi 57 and name HE#))  6.0 0.1 0.1
    peak 1433  ppm1  1.27 ppm2  2.85 volume   1.66e+07 { 1433 }
assi (((resi 57 and name HG#))
   and bondedto
   ((resi 57 and name CG)))
   ((resi 58 and name HN))  6.0 0.1 0.1
    peak 1434  ppm1  1.28 ppm2  9.32 volume   6.03e+06 { 1434 }
assi (((resi 58 and name HB1))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 50 and name HB))  6.0 0.1 0.1
    peak 1435  ppm1  2.74 ppm2  1.89 volume   6.50e+07 { 1435 }
assi (((resi 58 and name HB2))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 50 and name HB))  6.0 0.1 0.1
    peak 1436  ppm1  2.50 ppm2  1.89 volume   7.34e+06 { 1436 }
assi (((resi 58 and name HB1))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1437  ppm1  2.75 ppm2  0.82 volume   1.29e+08 { 1437 }
assi (((resi 58 and name HB2))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1438  ppm1  2.51 ppm2  0.82 volume   1.21e+07 { 1438 }
assi (((resi 58 and name HB1))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 58 and name HA))  6.0 0.1 0.1
    peak 1439  ppm1  2.74 ppm2  4.68 volume   1.25e+07 { 1439 }
assi (((resi 58 and name HB2))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 58 and name HA))  6.0 0.1 0.1
    peak 1440  ppm1  2.50 ppm2  4.68 volume   1.01e+07 { 1440 }
assi (((resi 58 and name HB2))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 58 and name HB1))  6.0 0.1 0.1
    peak 1441  ppm1  2.51 ppm2  2.75 volume   2.80e+08 { 1441 }
assi (((resi 58 and name HB1))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 58 and name HB2))  6.0 0.1 0.1
    peak 1442  ppm1  2.74 ppm2  2.52 volume   4.35e+08 { 1442 }
assi (((resi 58 and name HB1))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1443  ppm1  2.75 ppm2  6.96 volume   1.98e+07 { 1443 }
assi (((resi 58 and name HB2))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1444  ppm1  2.51 ppm2  6.97 volume   1.63e+07 { 1444 }
assi (((resi 58 and name HB1))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 58 and name HN))  6.0 0.1 0.1
    peak 1445  ppm1  2.75 ppm2  9.31 volume   4.05e+06 { 1445 }
assi (((resi 58 and name HB2))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 58 and name HN))  6.0 0.1 0.1
    peak 1446  ppm1  2.51 ppm2  9.32 volume   5.61e+06 { 1446 }
assi (((resi 58 and name HB1))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 59 and name HN))  6.0 0.1 0.1
    peak 1447  ppm1  2.74 ppm2  8.54 volume   4.18e+06 { 1447 }
assi (((resi 58 and name HB2))
   and bondedto
   ((resi 58 and name CB)))
   ((resi 59 and name HN))  6.0 0.1 0.1
    peak 1448  ppm1  2.51 ppm2  8.53 volume   3.23e+06 { 1448 }
assi (((resi 59 and name HB))
   and bondedto
   ((resi 59 and name CB)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 1449  ppm1  1.98 ppm2  2.85 volume   3.79e+06 { 1449 }
assi (((resi 59 and name HB))
   and bondedto
   ((resi 59 and name CB)))
   ((resi 50 and name HN))  6.0 0.1 0.1
    peak 1450  ppm1  1.97 ppm2  9.59 volume   1.80e+07 { 1450 }
assi (((resi 59 and name HB))
   and bondedto
   ((resi 59 and name CB)))
   ((resi 59 and name HG1#))  6.0 0.1 0.1
    peak 1451  ppm1  1.96 ppm2  0.83 volume   7.56e+08 { 1451 }
assi (((resi 59 and name HB))
   and bondedto
   ((resi 59 and name CB)))
   ((resi 59 and name HG2#))  6.0 0.1 0.1
    peak 1452  ppm1  1.96 ppm2  0.90 volume   8.18e+08 { 1452 }
assi (((resi 59 and name HB))
   and bondedto
   ((resi 59 and name CB)))
   ((resi 59 and name HN))  6.0 0.1 0.1
    peak 1453  ppm1  1.96 ppm2  8.54 volume   2.51e+07 { 1453 }
assi (((resi 59 and name HG1#))
   and bondedto
   ((resi 59 and name CG1)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 1454  ppm1  0.82 ppm2  2.83 volume   5.37e+07 { 1454 }
assi (((resi 59 and name HG1#))
   and bondedto
   ((resi 59 and name CG1)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 1455  ppm1  0.82 ppm2  5.15 volume   1.90e+07 { 1455 }
assi (((resi 59 and name HG1#))
   and bondedto
   ((resi 59 and name CG1)))
   ((resi 49 and name HG1))  6.0 0.1 0.1
    peak 1456  ppm1  0.82 ppm2  2.15 volume   1.96e+08 { 1456 }
assi (((resi 59 and name HG1#))
   and bondedto
   ((resi 59 and name CG1)))
   ((resi 59 and name HA))  6.0 0.1 0.1
    peak 1457  ppm1  0.82 ppm2  4.81 volume   5.31e+07 { 1457 }
assi (((resi 59 and name HG1#))
   and bondedto
   ((resi 59 and name CG1)))
   ((resi 59 and name HB))  6.0 0.1 0.1
    peak 1458  ppm1  0.82 ppm2  1.95 volume   1.06e+09 { 1458 }
assi (((resi 59 and name HG1#))
   and bondedto
   ((resi 59 and name CG1)))
   ((resi 59 and name HN))  6.0 0.1 0.1
    peak 1459  ppm1  0.82 ppm2  8.54 volume   1.59e+07 { 1459 }
assi (((resi 59 and name HG1#))
   and bondedto
   ((resi 59 and name CG1)))
   ((resi 60 and name HG2#))  6.0 0.1 0.1
    peak 1460  ppm1  0.85 ppm2  0.40 volume   3.58e+08 { 1460 }
assi (((resi 59 and name HG1#))
   and bondedto
   ((resi 59 and name CG1)))
   ((resi 60 and name HN))  6.0 0.1 0.1
    peak 1461  ppm1  0.82 ppm2  8.96 volume   3.76e+07 { 1461 }
assi (((resi 59 and name HG2#))
   and bondedto
   ((resi 59 and name CG2)))
   ((resi 49 and name HG1))  6.0 0.1 0.1
    peak 1462  ppm1  0.92 ppm2  2.15 volume   1.58e+08 { 1462 }
assi (((resi 59 and name HG2#))
   and bondedto
   ((resi 59 and name CG2)))
   ((resi 59 and name HB))  6.0 0.1 0.1
    peak 1463  ppm1  0.92 ppm2  1.96 volume   9.45e+08 { 1463 }
assi (((resi 59 and name HG2#))
   and bondedto
   ((resi 59 and name CG2)))
   ((resi 59 and name HN))  6.0 0.1 0.1
    peak 1464  ppm1  0.92 ppm2  8.54 volume   4.10e+07 { 1464 }
assi (((resi 60 and name HB))
   and bondedto
   ((resi 60 and name CB)))
   ((resi 59 and name HG1#))  6.0 0.1 0.1
    peak 1465  ppm1  1.60 ppm2  0.81 volume   1.00e+09 { 1465 }
assi (((resi 60 and name HB))
   and bondedto
   ((resi 60 and name CB)))
   ((resi 60 and name HA))  6.0 0.1 0.1
    peak 1466  ppm1  1.60 ppm2  4.62 volume   1.44e+07 { 1466 }
assi (((resi 60 and name HB))
   and bondedto
   ((resi 60 and name CB)))
   ((resi 60 and name HG11))  6.0 0.1 0.1
    peak 1467  ppm1  1.60 ppm2  1.29 volume   2.60e+08 { 1467 }
assi (((resi 60 and name HB))
   and bondedto
   ((resi 60 and name CB)))
   ((resi 60 and name HG2#))  6.0 0.1 0.1
    peak 1468  ppm1  1.59 ppm2  0.41 volume   2.00e+08 { 1468 }
assi (((resi 60 and name HB))
   and bondedto
   ((resi 60 and name CB)))
   ((resi 60 and name HN))  6.0 0.1 0.1
    peak 1469  ppm1  1.58 ppm2  8.95 volume   1.12e+07 { 1469 }
assi (((resi 60 and name HB))
   and bondedto
   ((resi 60 and name CB)))
   ((resi 61 and name HA))  6.0 0.1 0.1
    peak 1470  ppm1  1.61 ppm2  5.11 volume   4.19e+06 { 1470 }
assi (((resi 60 and name HB))
   and bondedto
   ((resi 60 and name CB)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1471  ppm1  1.59 ppm2  9.43 volume   9.23e+06 { 1471 }
assi (((resi 60 and name HG12))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HA))  6.0 0.1 0.1
    peak 1472  ppm1  0.85 ppm2  4.64 volume   5.68e+06 { 1472 }
assi (((resi 60 and name HG11))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HB))  6.0 0.1 0.1
    peak 1473  ppm1  1.27 ppm2  1.60 volume   3.05e+08 { 1473 }
assi (((resi 60 and name HG12))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HB))  6.0 0.1 0.1
    peak 1474  ppm1  0.84 ppm2  1.61 volume   1.52e+08 { 1474 }
assi (((resi 60 and name HG12))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HG11))  6.0 0.1 0.1
    peak 1475  ppm1  0.84 ppm2  1.27 volume   3.51e+08 { 1475 }
assi (((resi 60 and name HG11))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HG12))  6.0 0.1 0.1
    peak 1476  ppm1  1.27 ppm2  0.83 volume   4.92e+08 { 1476 }
assi (((resi 60 and name HG11))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HG2#))  6.0 0.1 0.1
    peak 1477  ppm1  1.27 ppm2  0.41 volume   2.67e+08 { 1477 }
assi (((resi 60 and name HG12))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HG2#))  6.0 0.1 0.1
    peak 1478  ppm1  0.84 ppm2  0.41 volume   2.55e+07 { 1478 }
assi (((resi 60 and name HG11))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HN))  6.0 0.1 0.1
    peak 1479  ppm1  1.28 ppm2  8.95 volume   7.82e+06 { 1479 }
assi (((resi 60 and name HG12))
   and bondedto
   ((resi 60 and name CG1)))
   ((resi 60 and name HN))  6.0 0.1 0.1
    peak 1480  ppm1  0.84 ppm2  8.95 volume   1.07e+07 { 1480 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 1481  ppm1  0.42 ppm2 -0.18 volume   1.38e+07 { 1481 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 50 and name HB))  6.0 0.1 0.1
    peak 1482  ppm1  0.42 ppm2  1.90 volume   9.95e+06 { 1482 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 50 and name HG2#))  6.0 0.1 0.1
    peak 1483  ppm1  0.42 ppm2  0.07 volume   4.91e+07 { 1483 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 58 and name HB1))  6.0 0.1 0.1
    peak 1484  ppm1  0.42 ppm2  2.75 volume   3.28e+07 { 1484 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 58 and name HB2))  6.0 0.1 0.1
    peak 1485  ppm1  0.42 ppm2  2.51 volume   1.07e+07 { 1485 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1486  ppm1  0.41 ppm2  6.94 volume   2.47e+07 { 1486 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 60 and name HA))  6.0 0.1 0.1
    peak 1487  ppm1  0.41 ppm2  4.65 volume   8.61e+06 { 1487 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 60 and name HB))  6.0 0.1 0.1
    peak 1488  ppm1  0.42 ppm2  1.60 volume   5.18e+07 { 1488 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 60 and name HG11))  6.0 0.1 0.1
    peak 1489  ppm1  0.42 ppm2  1.27 volume   5.25e+07 { 1489 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 60 and name HG12))  6.0 0.1 0.1
    peak 1490  ppm1  0.42 ppm2  0.85 volume   8.06e+07 { 1490 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 60 and name HN))  6.0 0.1 0.1
    peak 1491  ppm1  0.42 ppm2  8.96 volume   1.04e+07 { 1491 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 61 and name HA))  6.0 0.1 0.1
    peak 1492  ppm1  0.41 ppm2  5.11 volume   4.26e+06 { 1492 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1493  ppm1  0.41 ppm2  9.41 volume   2.86e+07 { 1493 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1494  ppm1  0.42 ppm2  0.73 volume   1.08e+08 { 1494 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 66 and name HB))  6.0 0.1 0.1
    peak 1495  ppm1  0.41 ppm2  2.02 volume   5.69e+06 { 1495 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 1496  ppm1  0.42 ppm2 -0.03 volume   2.46e+08 { 1496 }
assi (((resi 60 and name HG2#))
   and bondedto
   ((resi 60 and name CG2)))
   ((resi 68 and name HZ))  6.0 0.1 0.1
    peak 1497  ppm1  0.42 ppm2  6.58 volume   2.58e+07 { 1497 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 1498  ppm1  5.11 ppm2  0.70 volume   3.22e+07 { 1498 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 47 and name HG2))  6.0 0.1 0.1
    peak 1499  ppm1  5.10 ppm2  1.41 volume   4.36e+07 { 1499 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 48 and name HN))  6.0 0.1 0.1
    peak 1500  ppm1  5.10 ppm2  9.33 volume   1.38e+07 { 1500 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 60 and name HB))  6.0 0.1 0.1
    peak 1501  ppm1  5.11 ppm2  1.61 volume   5.79e+07 { 1501 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 60 and name HD1#))  6.0 0.1 0.1
    peak 1502  ppm1  5.11 ppm2  0.57 volume   5.86e+07 { 1502 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 60 and name HG12))  6.0 0.1 0.1
    peak 1503  ppm1  5.10 ppm2  0.86 volume   3.17e+07 { 1503 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 61 and name HB2))  6.0 0.1 0.1
    peak 1504  ppm1  5.10 ppm2  2.04 volume   4.66e+08 { 1504 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1505  ppm1  5.10 ppm2  9.44 volume   1.36e+07 { 1505 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 62 and name HB#))  6.0 0.1 0.1
    peak 1506  ppm1  5.10 ppm2  1.78 volume   1.84e+08 { 1506 }
assi (((resi 61 and name HA))
   and bondedto
   ((resi 61 and name CA)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1507  ppm1  5.10 ppm2  7.37 volume   4.66e+07 { 1507 }
assi (((resi 61 and name HB1))
   and bondedto
   ((resi 61 and name CB)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1508  ppm1  2.06 ppm2  9.43 volume   3.92e+07 { 1508 }
assi (((resi 61 and name HB2))
   and bondedto
   ((resi 61 and name CB)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1509  ppm1  2.01 ppm2  9.44 volume   2.89e+07 { 1509 }
assi (((resi 61 and name HB2))
   and bondedto
   ((resi 61 and name CB)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1510  ppm1  2.03 ppm2  7.37 volume   1.32e+07 { 1510 }
assi (((resi 61 and name HG1))
   and bondedto
   ((resi 61 and name CG)))
   ((resi 61 and name HA))  6.0 0.1 0.1
    peak 1511  ppm1  2.19 ppm2  5.10 volume   9.92e+06 { 1511 }
assi (((resi 61 and name HG2))
   and bondedto
   ((resi 61 and name CG)))
   ((resi 61 and name HA))  6.0 0.1 0.1
    peak 1512  ppm1  2.12 ppm2  5.10 volume   1.13e+07 { 1512 }
assi (((resi 61 and name HG1))
   and bondedto
   ((resi 61 and name CG)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1513  ppm1  2.20 ppm2  9.43 volume   7.39e+06 { 1513 }
assi (((resi 61 and name HG2))
   and bondedto
   ((resi 61 and name CG)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1514  ppm1  2.12 ppm2  9.43 volume   6.74e+06 { 1514 }
assi (((resi 61 and name HG1))
   and bondedto
   ((resi 61 and name CG)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1515  ppm1  2.20 ppm2  7.38 volume   6.46e+06 { 1515 }
assi (((resi 61 and name HG2))
   and bondedto
   ((resi 61 and name CG)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1516  ppm1  2.13 ppm2  7.37 volume   5.93e+06 { 1516 }
assi (((resi 62 and name HA))
   and bondedto
   ((resi 62 and name CA)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1517  ppm1  3.54 ppm2  0.56 volume   2.92e+07 { 1517 }
assi (((resi 62 and name HA))
   and bondedto
   ((resi 62 and name CA)))
   ((resi 45 and name HG#))  6.0 0.1 0.1
    peak 1518  ppm1  3.54 ppm2  2.25 volume   1.05e+07 { 1518 }
assi (((resi 62 and name HA))
   and bondedto
   ((resi 62 and name CA)))
   ((resi 62 and name HB#))  6.0 0.1 0.1
    peak 1519  ppm1  3.53 ppm2  1.77 volume   3.49e+07 { 1519 }
assi (((resi 62 and name HA))
   and bondedto
   ((resi 62 and name CA)))
   ((resi 62 and name HD1))  6.0 0.1 0.1
    peak 1520  ppm1  3.54 ppm2  1.45 volume   1.47e+07 { 1520 }
assi (((resi 62 and name HA))
   and bondedto
   ((resi 62 and name CA)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1521  ppm1  3.52 ppm2  1.20 volume   1.39e+07 { 1521 }
assi (((resi 62 and name HA))
   and bondedto
   ((resi 62 and name CA)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1522  ppm1  3.53 ppm2  7.37 volume   1.42e+07 { 1522 }
assi (((resi 62 and name HA))
   and bondedto
   ((resi 62 and name CA)))
   ((resi 63 and name HN))  6.0 0.1 0.1
    peak 1523  ppm1  3.53 ppm2  9.04 volume   3.92e+07 { 1523 }
assi (((resi 62 and name HA))
   and bondedto
   ((resi 62 and name CA)))
   ((resi 64 and name HN))  6.0 0.1 0.1
    peak 1524  ppm1  3.53 ppm2  8.07 volume   6.74e+06 { 1524 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 7 and name HG1))  6.0 0.1 0.1
    peak 1525  ppm1  1.78 ppm2  1.50 volume   4.14e+08 { 1525 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 1526  ppm1  1.77 ppm2  0.56 volume   6.83e+06 { 1526 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 45 and name HA))  6.0 0.1 0.1
    peak 1527  ppm1  1.77 ppm2  4.42 volume   1.56e+07 { 1527 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1528  ppm1  1.79 ppm2  8.63 volume   7.85e+06 { 1528 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 61 and name HA))  6.0 0.1 0.1
    peak 1529  ppm1  1.76 ppm2  5.11 volume   6.24e+06 { 1529 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 62 and name HA))  6.0 0.1 0.1
    peak 1530  ppm1  1.78 ppm2  3.52 volume   1.62e+07 { 1530 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1531  ppm1  1.77 ppm2  1.21 volume   2.61e+08 { 1531 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 62 and name HE#))  6.0 0.1 0.1
    peak 1532  ppm1  1.77 ppm2  3.15 volume   1.05e+08 { 1532 }
assi (((resi 62 and name HB#))
   and bondedto
   ((resi 62 and name CB)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1533  ppm1  1.78 ppm2  7.37 volume   3.01e+07 { 1533 }
assi (((resi 62 and name HD1))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 45 and name HA))  6.0 0.1 0.1
    peak 1534  ppm1  1.46 ppm2  4.42 volume   5.94e+07 { 1534 }
assi (((resi 62 and name HD1))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HA))  6.0 0.1 0.1
    peak 1535  ppm1  1.45 ppm2  3.52 volume   8.96e+07 { 1535 }
assi (((resi 62 and name HD2))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HA))  6.0 0.1 0.1
    peak 1536  ppm1  1.21 ppm2  3.52 volume   6.77e+06 { 1536 }
assi (((resi 62 and name HD1))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HB#))  6.0 0.1 0.1
    peak 1537  ppm1  1.47 ppm2  1.78 volume   4.86e+08 { 1537 }
assi (((resi 62 and name HD2))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HD1))  6.0 0.1 0.1
    peak 1538  ppm1  1.21 ppm2  1.46 volume   4.86e+08 { 1538 }
assi (((resi 62 and name HD1))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1539  ppm1  1.47 ppm2  1.21 volume   3.98e+08 { 1539 }
assi (((resi 62 and name HD1))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HE#))  6.0 0.1 0.1
    peak 1540  ppm1  1.46 ppm2  3.12 volume   9.80e+07 { 1540 }
assi (((resi 62 and name HD2))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HE#))  6.0 0.1 0.1
    peak 1541  ppm1  1.20 ppm2  3.12 volume   1.78e+07 { 1541 }
assi (((resi 62 and name HD1))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1542  ppm1  1.47 ppm2  7.37 volume   1.50e+07 { 1542 }
assi (((resi 62 and name HD2))
   and bondedto
   ((resi 62 and name CD)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1543  ppm1  1.23 ppm2  7.38 volume   1.47e+07 { 1543 }
assi (((resi 62 and name HE#))
   and bondedto
   ((resi 62 and name CE)))
   ((resi 45 and name HA))  6.0 0.1 0.1
    peak 1544  ppm1  3.12 ppm2  4.42 volume   8.08e+07 { 1544 }
assi (((resi 62 and name HE#))
   and bondedto
   ((resi 62 and name CE)))
   ((resi 45 and name HG#))  6.0 0.1 0.1
    peak 1545  ppm1  3.12 ppm2  2.25 volume   3.12e+07 { 1545 }
assi (((resi 62 and name HE#))
   and bondedto
   ((resi 62 and name CE)))
   ((resi 62 and name HA))  6.0 0.1 0.1
    peak 1546  ppm1  3.12 ppm2  3.51 volume   5.86e+07 { 1546 }
assi (((resi 62 and name HE#))
   and bondedto
   ((resi 62 and name CE)))
   ((resi 62 and name HB#))  6.0 0.1 0.1
    peak 1547  ppm1  3.12 ppm2  1.78 volume   7.74e+08 { 1547 }
assi (((resi 62 and name HE#))
   and bondedto
   ((resi 62 and name CE)))
   ((resi 62 and name HD1))  6.0 0.1 0.1
    peak 1548  ppm1  3.12 ppm2  1.46 volume   2.94e+08 { 1548 }
assi (((resi 62 and name HE#))
   and bondedto
   ((resi 62 and name CE)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1549  ppm1  3.12 ppm2  1.21 volume   2.92e+08 { 1549 }
assi (((resi 62 and name HE#))
   and bondedto
   ((resi 62 and name CE)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1550  ppm1  3.12 ppm2  7.37 volume   1.16e+07 { 1550 }
assi (((resi 62 and name HG1))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 45 and name HA))  6.0 0.1 0.1
    peak 1551  ppm1  1.82 ppm2  4.42 volume   1.24e+07 { 1551 }
assi (((resi 62 and name HG2))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 45 and name HA))  6.0 0.1 0.1
    peak 1552  ppm1  1.77 ppm2  4.42 volume   1.28e+07 { 1552 }
assi (((resi 62 and name HG1))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1553  ppm1  1.83 ppm2  8.64 volume   3.47e+06 { 1553 }
assi (((resi 62 and name HG2))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 1554  ppm1  1.76 ppm2  8.66 volume   3.85e+06 { 1554 }
assi (((resi 62 and name HG1))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HA))  6.0 0.1 0.1
    peak 1555  ppm1  1.84 ppm2  3.51 volume   4.62e+06 { 1555 }
assi (((resi 62 and name HG2))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HA))  6.0 0.1 0.1
    peak 1556  ppm1  1.76 ppm2  3.52 volume   5.34e+06 { 1556 }
assi (((resi 62 and name HG1))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HD1))  6.0 0.1 0.1
    peak 1557  ppm1  1.83 ppm2  1.46 volume   2.51e+08 { 1557 }
assi (((resi 62 and name HG2))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HD1))  6.0 0.1 0.1
    peak 1558  ppm1  1.76 ppm2  1.46 volume   2.61e+08 { 1558 }
assi (((resi 62 and name HG1))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1559  ppm1  1.84 ppm2  1.21 volume   2.69e+08 { 1559 }
assi (((resi 62 and name HG2))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1560  ppm1  1.74 ppm2  1.20 volume   2.36e+08 { 1560 }
assi (((resi 62 and name HG1))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HE#))  6.0 0.1 0.1
    peak 1561  ppm1  1.83 ppm2  3.12 volume   2.69e+07 { 1561 }
assi (((resi 62 and name HG2))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HE#))  6.0 0.1 0.1
    peak 1562  ppm1  1.77 ppm2  3.12 volume   2.48e+07 { 1562 }
assi (((resi 62 and name HG1))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1563  ppm1  1.81 ppm2  7.36 volume   4.78e+06 { 1563 }
assi (((resi 62 and name HG2))
   and bondedto
   ((resi 62 and name CG)))
   ((resi 62 and name HN))  6.0 0.1 0.1
    peak 1564  ppm1  1.78 ppm2  7.36 volume   5.53e+06 { 1564 }
assi (((resi 63 and name HA1))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 1565  ppm1  4.44 ppm2  6.77 volume   1.39e+07 { 1565 }
assi (((resi 63 and name HA2))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 1566  ppm1  3.69 ppm2  6.75 volume   1.37e+07 { 1566 }
assi (((resi 63 and name HA1))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 62 and name HB#))  6.0 0.1 0.1
    peak 1567  ppm1  4.43 ppm2  1.78 volume   2.45e+06 { 1567 }
assi (((resi 63 and name HA2))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 62 and name HB#))  6.0 0.1 0.1
    peak 1568  ppm1  3.67 ppm2  1.78 volume   4.19e+06 { 1568 }
assi (((resi 63 and name HA1))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 62 and name HD1))  6.0 0.1 0.1
    peak 1569  ppm1  4.46 ppm2  1.45 volume   3.25e+06 { 1569 }
assi (((resi 63 and name HA2))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 62 and name HD1))  6.0 0.1 0.1
    peak 1570  ppm1  3.67 ppm2  1.44 volume   5.19e+06 { 1570 }
assi (((resi 63 and name HA1))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1571  ppm1  4.45 ppm2  1.20 volume   8.34e+06 { 1571 }
assi (((resi 63 and name HA2))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 62 and name HD2))  6.0 0.1 0.1
    peak 1572  ppm1  3.69 ppm2  1.19 volume   6.59e+06 { 1572 }
assi (((resi 63 and name HA2))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 63 and name HA1))  6.0 0.1 0.1
    peak 1573  ppm1  3.68 ppm2  4.46 volume   1.11e+09 { 1573 }
assi (((resi 63 and name HA1))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 63 and name HA2))  6.0 0.1 0.1
    peak 1574  ppm1  4.45 ppm2  3.68 volume   1.14e+09 { 1574 }
assi (((resi 63 and name HA1))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 63 and name HN))  6.0 0.1 0.1
    peak 1575  ppm1  4.44 ppm2  9.04 volume   2.80e+08 { 1575 }
assi (((resi 63 and name HA2))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 63 and name HN))  6.0 0.1 0.1
    peak 1576  ppm1  3.68 ppm2  9.04 volume   2.96e+08 { 1576 }
assi (((resi 63 and name HA1))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 64 and name HN))  6.0 0.1 0.1
    peak 1577  ppm1  4.44 ppm2  8.06 volume   1.09e+07 { 1577 }
assi (((resi 63 and name HA2))
   and bondedto
   ((resi 63 and name CA)))
   ((resi 64 and name HN))  6.0 0.1 0.1
    peak 1578  ppm1  3.69 ppm2  8.07 volume   9.79e+06 { 1578 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 7 and name HA))  6.0 0.1 0.1
    peak 1579  ppm1  5.09 ppm2  5.35 volume   3.40e+06 { 1579 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 7 and name HD2))  6.0 0.1 0.1
    peak 1580  ppm1  5.10 ppm2  1.86 volume   2.14e+07 { 1580 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 7 and name HG1))  6.0 0.1 0.1
    peak 1581  ppm1  5.08 ppm2  1.48 volume   1.85e+06 { 1581 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 7 and name HG2))  6.0 0.1 0.1
    peak 1582  ppm1  5.08 ppm2  1.59 volume   9.92e+05 { 1582 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 8 and name HD1))  6.0 0.1 0.1
    peak 1583  ppm1  5.11 ppm2  3.94 volume   3.71e+07 { 1583 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 8 and name HG1))  6.0 0.1 0.1
    peak 1584  ppm1  5.09 ppm2  2.08 volume   5.06e+06 { 1584 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 64 and name HB1))  6.0 0.1 0.1
    peak 1585  ppm1  5.09 ppm2  2.29 volume   1.86e+07 { 1585 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 64 and name HB2))  6.0 0.1 0.1
    peak 1586  ppm1  5.10 ppm2  2.76 volume   7.14e+06 { 1586 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 64 and name HN))  6.0 0.1 0.1
    peak 1587  ppm1  5.09 ppm2  8.07 volume   1.49e+07 { 1587 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 1588  ppm1  5.09 ppm2  1.16 volume   1.41e+06 { 1588 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1589  ppm1  5.09 ppm2  0.79 volume   1.12e+07 { 1589 }
assi (((resi 64 and name HA))
   and bondedto
   ((resi 64 and name CA)))
   ((resi 65 and name HN))  6.0 0.1 0.1
    peak 1590  ppm1  5.09 ppm2  9.16 volume   5.53e+07 { 1590 }
assi (((resi 64 and name HB1))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1591  ppm1  2.29 ppm2  9.45 volume   4.56e+06 { 1591 }
assi (((resi 64 and name HB2))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 61 and name HN))  6.0 0.1 0.1
    peak 1592  ppm1  2.78 ppm2  9.43 volume   2.27e+06 { 1592 }
assi (((resi 64 and name HB1))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 64 and name HA))  6.0 0.1 0.1
    peak 1593  ppm1  2.30 ppm2  5.09 volume   1.16e+07 { 1593 }
assi (((resi 64 and name HB2))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 64 and name HA))  6.0 0.1 0.1
    peak 1594  ppm1  2.78 ppm2  5.09 volume   1.04e+07 { 1594 }
assi (((resi 64 and name HB2))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 64 and name HB1))  6.0 0.1 0.1
    peak 1595  ppm1  2.78 ppm2  2.29 volume   3.37e+08 { 1595 }
assi (((resi 64 and name HB1))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 64 and name HB2))  6.0 0.1 0.1
    peak 1596  ppm1  2.30 ppm2  2.78 volume   3.00e+08 { 1596 }
assi (((resi 64 and name HB1))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 64 and name HN))  6.0 0.1 0.1
    peak 1597  ppm1  2.30 ppm2  8.07 volume   1.24e+07 { 1597 }
assi (((resi 64 and name HB2))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 64 and name HN))  6.0 0.1 0.1
    peak 1598  ppm1  2.78 ppm2  8.07 volume   1.45e+07 { 1598 }
assi (((resi 64 and name HB1))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1599  ppm1  2.30 ppm2  0.78 volume   2.43e+07 { 1599 }
assi (((resi 64 and name HB2))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1600  ppm1  2.78 ppm2  0.78 volume   2.03e+08 { 1600 }
assi (((resi 64 and name HB1))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 65 and name HN))  6.0 0.1 0.1
    peak 1601  ppm1  2.29 ppm2  9.16 volume   6.58e+06 { 1601 }
assi (((resi 64 and name HB2))
   and bondedto
   ((resi 64 and name CB)))
   ((resi 65 and name HN))  6.0 0.1 0.1
    peak 1602  ppm1  2.77 ppm2  9.15 volume   5.47e+06 { 1602 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 8 and name HG1))  6.0 0.1 0.1
    peak 1603  ppm1  5.67 ppm2  2.03 volume   8.28e+06 { 1603 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 42 and name HA))  6.0 0.1 0.1
    peak 1604  ppm1  5.67 ppm2  5.88 volume   1.24e+07 { 1604 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 42 and name HB2))  6.0 0.1 0.1
    peak 1605  ppm1  5.67 ppm2  2.71 volume   6.48e+06 { 1605 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1606  ppm1  5.66 ppm2  6.86 volume   9.16e+06 { 1606 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 1607  ppm1  5.67 ppm2  1.15 volume   9.72e+06 { 1607 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 65 and name HB2))  6.0 0.1 0.1
    peak 1608  ppm1  5.67 ppm2  2.12 volume   8.13e+06 { 1608 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1609  ppm1  5.66 ppm2  0.78 volume   1.25e+07 { 1609 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 1610  ppm1  5.67 ppm2  0.94 volume   2.56e+07 { 1610 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 65 and name HG))  6.0 0.1 0.1
    peak 1611  ppm1  5.67 ppm2  1.50 volume   8.58e+06 { 1611 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 65 and name HN))  6.0 0.1 0.1
    peak 1612  ppm1  5.64 ppm2  9.16 volume   5.01e+06 { 1612 }
assi (((resi 65 and name HA))
   and bondedto
   ((resi 65 and name CA)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 1613  ppm1  5.66 ppm2  9.75 volume   2.75e+06 { 1613 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 8 and name HD1))  6.0 0.1 0.1
    peak 1614  ppm1  1.15 ppm2  3.94 volume   4.03e+06 { 1614 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 8 and name HD1))  6.0 0.1 0.1
    peak 1615  ppm1  2.13 ppm2  3.95 volume   4.48e+06 { 1615 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 1616  ppm1  1.15 ppm2  4.49 volume   3.36e+06 { 1616 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 1617  ppm1  2.14 ppm2  4.50 volume   3.93e+06 { 1617 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1618  ppm1  1.15 ppm2  6.85 volume   4.52e+06 { 1618 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1619  ppm1  2.14 ppm2  6.84 volume   3.72e+06 { 1619 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HA))  6.0 0.1 0.1
    peak 1620  ppm1  1.15 ppm2  5.67 volume   5.52e+06 { 1620 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HA))  6.0 0.1 0.1
    peak 1621  ppm1  2.13 ppm2  5.66 volume   5.56e+06 { 1621 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 1622  ppm1  2.14 ppm2  1.14 volume   2.02e+07 { 1622 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HB2))  6.0 0.1 0.1
    peak 1623  ppm1  1.15 ppm2  2.12 volume   2.57e+07 { 1623 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1624  ppm1  1.15 ppm2  0.77 volume   1.37e+07 { 1624 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1625  ppm1  2.13 ppm2  0.78 volume   1.97e+07 { 1625 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 1626  ppm1  1.16 ppm2  0.95 volume   6.52e+06 { 1626 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 1627  ppm1  2.13 ppm2  0.94 volume   1.21e+07 { 1627 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HG))  6.0 0.1 0.1
    peak 1628  ppm1  1.15 ppm2  1.51 volume   7.05e+06 { 1628 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HG))  6.0 0.1 0.1
    peak 1629  ppm1  2.13 ppm2  1.51 volume   9.65e+06 { 1629 }
assi (((resi 65 and name HB1))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HN))  6.0 0.1 0.1
    peak 1630  ppm1  1.15 ppm2  9.16 volume   8.71e+06 { 1630 }
assi (((resi 65 and name HB2))
   and bondedto
   ((resi 65 and name CB)))
   ((resi 65 and name HN))  6.0 0.1 0.1
    peak 1631  ppm1  2.13 ppm2  9.16 volume   1.00e+07 { 1631 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 8 and name HB1))  6.0 0.1 0.1
    peak 1632  ppm1  0.78 ppm2  2.07 volume   3.93e+08 { 1632 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 8 and name HD1))  6.0 0.1 0.1
    peak 1633  ppm1  0.78 ppm2  3.94 volume   8.85e+06 { 1633 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 8 and name HD2))  6.0 0.1 0.1
    peak 1634  ppm1  0.78 ppm2  4.51 volume   6.45e+06 { 1634 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 12 and name HE2))  6.0 0.1 0.1
    peak 1635  ppm1  0.78 ppm2  2.84 volume   1.42e+07 { 1635 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 1636  ppm1  0.78 ppm2  0.06 volume   1.41e+07 { 1636 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1637  ppm1  0.78 ppm2  6.86 volume   5.80e+06 { 1637 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 65 and name HA))  6.0 0.1 0.1
    peak 1638  ppm1  0.78 ppm2  5.67 volume   8.52e+06 { 1638 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 65 and name HB1))  6.0 0.1 0.1
    peak 1639  ppm1  0.78 ppm2  1.15 volume   2.61e+08 { 1639 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 65 and name HN))  6.0 0.1 0.1
    peak 1640  ppm1  0.78 ppm2  9.16 volume   8.44e+06 { 1640 }
assi (((resi 65 and name HD1#))
   and bondedto
   ((resi 65 and name CD1)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 1641  ppm1  0.79 ppm2  9.75 volume   3.93e+05 { 1641 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 13 and name HD2#))  6.0 0.1 0.1
    peak 1642  ppm1  0.95 ppm2  0.05 volume   2.29e+07 { 1642 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 1643  ppm1  0.95 ppm2 -0.05 volume   3.13e+07 { 1643 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 40 and name HG2#))  6.0 0.1 0.1
    peak 1644  ppm1  0.95 ppm2  1.48 volume   6.47e+08 { 1644 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 42 and name HA))  6.0 0.1 0.1
    peak 1645  ppm1  0.95 ppm2  5.88 volume   1.58e+07 { 1645 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 42 and name HB1))  6.0 0.1 0.1
    peak 1646  ppm1  0.95 ppm2  2.90 volume   2.61e+07 { 1646 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 42 and name HB2))  6.0 0.1 0.1
    peak 1647  ppm1  0.95 ppm2  2.74 volume   1.42e+07 { 1647 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 1648  ppm1  0.95 ppm2  6.86 volume   3.15e+07 { 1648 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 1649  ppm1  0.95 ppm2  6.73 volume   8.15e+06 { 1649 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 65 and name HA))  6.0 0.1 0.1
    peak 1650  ppm1  0.95 ppm2  5.67 volume   3.10e+07 { 1650 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 65 and name HB2))  6.0 0.1 0.1
    peak 1651  ppm1  0.95 ppm2  2.10 volume   2.44e+07 { 1651 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1652  ppm1  0.95 ppm2  0.78 volume   6.06e+08 { 1652 }
assi (((resi 65 and name HD2#))
   and bondedto
   ((resi 65 and name CD2)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 1653  ppm1  0.95 ppm2  9.73 volume   1.55e+07 { 1653 }
assi (((resi 65 and name HG))
   and bondedto
   ((resi 65 and name CG)))
   ((resi 6 and name HB#))  6.0 0.1 0.1
    peak 1654  ppm1  1.54 ppm2  2.07 volume   9.42e+07 { 1654 }
assi (((resi 65 and name HG))
   and bondedto
   ((resi 65 and name CG)))
   ((resi 65 and name HA))  6.0 0.1 0.1
    peak 1655  ppm1  1.52 ppm2  5.68 volume   4.84e+06 { 1655 }
assi (((resi 65 and name HG))
   and bondedto
   ((resi 65 and name CG)))
   ((resi 65 and name HB2))  6.0 0.1 0.1
    peak 1656  ppm1  1.54 ppm2  2.15 volume   9.86e+07 { 1656 }
assi (((resi 65 and name HG))
   and bondedto
   ((resi 65 and name CG)))
   ((resi 65 and name HD1#))  6.0 0.1 0.1
    peak 1657  ppm1  1.53 ppm2  0.77 volume   3.86e+08 { 1657 }
assi (((resi 65 and name HG))
   and bondedto
   ((resi 65 and name CG)))
   ((resi 65 and name HD2#))  6.0 0.1 0.1
    peak 1658  ppm1  1.54 ppm2  0.95 volume   1.58e+08 { 1658 }
assi (((resi 66 and name HA))
   and bondedto
   ((resi 66 and name CA)))
   ((resi 4 and name HG2))  6.0 0.1 0.1
    peak 1659  ppm1  5.06 ppm2  1.29 volume   4.60e+07 { 1659 }
assi (((resi 66 and name HA))
   and bondedto
   ((resi 66 and name CA)))
   ((resi 5 and name HA))  6.0 0.1 0.1
    peak 1660  ppm1  5.05 ppm2  4.55 volume   1.31e+08 { 1660 }
assi (((resi 66 and name HA))
   and bondedto
   ((resi 66 and name CA)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 1661  ppm1  5.05 ppm2  9.17 volume   8.76e+06 { 1661 }
assi (((resi 66 and name HA))
   and bondedto
   ((resi 66 and name CA)))
   ((resi 66 and name HB))  6.0 0.1 0.1
    peak 1662  ppm1  5.05 ppm2  2.04 volume   5.54e+07 { 1662 }
assi (((resi 66 and name HA))
   and bondedto
   ((resi 66 and name CA)))
   ((resi 66 and name HG1#))  6.0 0.1 0.1
    peak 1663  ppm1  5.05 ppm2  0.78 volume   2.44e+08 { 1663 }
assi (((resi 66 and name HA))
   and bondedto
   ((resi 66 and name CA)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 1664  ppm1  5.05 ppm2 -0.01 volume   2.27e+08 { 1664 }
assi (((resi 66 and name HA))
   and bondedto
   ((resi 66 and name CA)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 1665  ppm1  5.05 ppm2  9.75 volume   7.69e+05 { 1665 }
assi (((resi 66 and name HA))
   and bondedto
   ((resi 66 and name CA)))
   ((resi 67 and name HN))  6.0 0.1 0.1
    peak 1666  ppm1  5.05 ppm2  8.94 volume   3.91e+07 { 1666 }
assi (((resi 66 and name HB))
   and bondedto
   ((resi 66 and name CB)))
   ((resi 66 and name HA))  6.0 0.1 0.1
    peak 1667  ppm1  2.04 ppm2  5.08 volume   2.72e+07 { 1667 }
assi (((resi 66 and name HB))
   and bondedto
   ((resi 66 and name CB)))
   ((resi 66 and name HG1#))  6.0 0.1 0.1
    peak 1668  ppm1  2.04 ppm2  0.78 volume   4.22e+08 { 1668 }
assi (((resi 66 and name HB))
   and bondedto
   ((resi 66 and name CB)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 1669  ppm1  2.03 ppm2 -0.01 volume   2.86e+07 { 1669 }
assi (((resi 66 and name HB))
   and bondedto
   ((resi 66 and name CB)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 1670  ppm1  2.04 ppm2  9.75 volume   1.06e+06 { 1670 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 3 and name HB))  6.0 0.1 0.1
    peak 1671  ppm1  0.78 ppm2  0.41 volume   2.32e+08 { 1671 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 1672  ppm1  0.78 ppm2 -0.19 volume   9.67e+07 { 1672 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 4 and name HD#))  6.0 0.1 0.1
    peak 1673  ppm1  0.78 ppm2  1.60 volume   1.40e+08 { 1673 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 4 and name HG2))  6.0 0.1 0.1
    peak 1674  ppm1  0.78 ppm2  1.29 volume   1.30e+08 { 1674 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 5 and name HA))  6.0 0.1 0.1
    peak 1675  ppm1  0.78 ppm2  4.56 volume   1.11e+07 { 1675 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 6 and name HN))  6.0 0.1 0.1
    peak 1676  ppm1  0.78 ppm2  9.17 volume   1.12e+07 { 1676 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 58 and name HD#))  6.0 0.1 0.1
    peak 1677  ppm1  0.78 ppm2  6.94 volume   2.23e+07 { 1677 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 64 and name HB1))  6.0 0.1 0.1
    peak 1678  ppm1  0.78 ppm2  2.29 volume   1.76e+08 { 1678 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 64 and name HB2))  6.0 0.1 0.1
    peak 1679  ppm1  0.78 ppm2  2.77 volume   1.86e+07 { 1679 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 65 and name HA))  6.0 0.1 0.1
    peak 1680  ppm1  0.79 ppm2  5.68 volume   7.63e+06 { 1680 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 66 and name HA))  6.0 0.1 0.1
    peak 1681  ppm1  0.78 ppm2  5.06 volume   3.19e+07 { 1681 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 66 and name HB))  6.0 0.1 0.1
    peak 1682  ppm1  0.78 ppm2  2.03 volume   3.41e+08 { 1682 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 1683  ppm1  0.78 ppm2 -0.01 volume   9.17e+07 { 1683 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 1684  ppm1  0.78 ppm2  9.75 volume   2.35e+06 { 1684 }
assi (((resi 66 and name HG1#))
   and bondedto
   ((resi 66 and name CG1)))
   ((resi 67 and name HN))  6.0 0.1 0.1
    peak 1685  ppm1  0.78 ppm2  8.94 volume   9.63e+06 { 1685 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 3 and name HB))  6.0 0.1 0.1
    peak 1686  ppm1 -0.00 ppm2  0.42 volume   1.19e+09 { 1686 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 1687  ppm1 -0.01 ppm2 -0.17 volume   6.02e+08 { 1687 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 1688  ppm1 -0.01 ppm2  6.94 volume   2.13e+07 { 1688 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 4 and name HD#))  6.0 0.1 0.1
    peak 1689  ppm1 -0.01 ppm2  1.61 volume   7.28e+07 { 1689 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 4 and name HG2))  6.0 0.1 0.1
    peak 1690  ppm1 -0.00 ppm2  1.31 volume   1.57e+08 { 1690 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 1691  ppm1 -0.01 ppm2  7.69 volume   1.78e+07 { 1691 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 5 and name HA))  6.0 0.1 0.1
    peak 1692  ppm1 -0.01 ppm2  4.55 volume   9.37e+06 { 1692 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 66 and name HA))  6.0 0.1 0.1
    peak 1693  ppm1 -0.01 ppm2  5.05 volume   3.57e+07 { 1693 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 66 and name HB))  6.0 0.1 0.1
    peak 1694  ppm1 -0.01 ppm2  2.03 volume   3.77e+08 { 1694 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 66 and name HG1#))  6.0 0.1 0.1
    peak 1695  ppm1 -0.01 ppm2  0.78 volume   7.02e+08 { 1695 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 66 and name HN))  6.0 0.1 0.1
    peak 1696  ppm1 -0.01 ppm2  9.75 volume   3.82e+06 { 1696 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 67 and name HN))  6.0 0.1 0.1
    peak 1697  ppm1 -0.01 ppm2  8.94 volume   2.85e+07 { 1697 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 68 and name HD#))  6.0 0.1 0.1
    peak 1698  ppm1 -0.00 ppm2  6.69 volume   8.85e+06 { 1698 }
assi (((resi 66 and name HG2#))
   and bondedto
   ((resi 66 and name CG2)))
   ((resi 68 and name HZ))  6.0 0.1 0.1
    peak 1699  ppm1 -0.01 ppm2  6.58 volume   9.85e+06 { 1699 }
assi (((resi 67 and name HA))
   and bondedto
   ((resi 67 and name CA)))
   ((resi 40 and name HA))  6.0 0.1 0.1
    peak 1700  ppm1  5.45 ppm2  6.02 volume   1.84e+07 { 1700 }
assi (((resi 67 and name HA))
   and bondedto
   ((resi 67 and name CA)))
   ((resi 40 and name HG2#))  6.0 0.1 0.1
    peak 1701  ppm1  5.46 ppm2  1.45 volume   6.72e+06 { 1701 }
assi (((resi 67 and name HA))
   and bondedto
   ((resi 67 and name CA)))
   ((resi 41 and name HN))  6.0 0.1 0.1
    peak 1702  ppm1  5.45 ppm2 10.34 volume   8.07e+06 { 1702 }
assi (((resi 67 and name HA))
   and bondedto
   ((resi 67 and name CA)))
   ((resi 67 and name HB))  6.0 0.1 0.1
    peak 1703  ppm1  5.44 ppm2  3.84 volume   6.19e+06 { 1703 }
assi (((resi 67 and name HA))
   and bondedto
   ((resi 67 and name CA)))
   ((resi 67 and name HG2#))  6.0 0.1 0.1
    peak 1704  ppm1  5.46 ppm2  1.15 volume   2.22e+07 { 1704 }
assi (((resi 67 and name HA))
   and bondedto
   ((resi 67 and name CA)))
   ((resi 67 and name HN))  6.0 0.1 0.1
    peak 1705  ppm1  5.45 ppm2  8.94 volume   5.35e+06 { 1705 }
assi (((resi 67 and name HA))
   and bondedto
   ((resi 67 and name CA)))
   ((resi 68 and name HN))  6.0 0.1 0.1
    peak 1706  ppm1  5.45 ppm2  9.70 volume   3.29e+07 { 1706 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 3 and name HN))  6.0 0.1 0.1
    peak 1707  ppm1  3.85 ppm2  6.96 volume   4.51e+06 { 1707 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 4 and name HB2))  6.0 0.1 0.1
    peak 1708  ppm1  3.84 ppm2  1.75 volume   1.85e+07 { 1708 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 4 and name HD#))  6.0 0.1 0.1
    peak 1709  ppm1  3.84 ppm2  1.60 volume   2.22e+07 { 1709 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 4 and name HN))  6.0 0.1 0.1
    peak 1710  ppm1  3.84 ppm2  7.68 volume   4.67e+06 { 1710 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 66 and name HG2#))  6.0 0.1 0.1
    peak 1711  ppm1  3.85 ppm2 -0.01 volume   6.36e+06 { 1711 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 67 and name HA))  6.0 0.1 0.1
    peak 1712  ppm1  3.84 ppm2  5.46 volume   4.91e+06 { 1712 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 67 and name HG2#))  6.0 0.1 0.1
    peak 1713  ppm1  3.84 ppm2  1.14 volume   3.49e+07 { 1713 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 67 and name HN))  6.0 0.1 0.1
    peak 1714  ppm1  3.85 ppm2  8.94 volume   2.14e+07 { 1714 }
assi (((resi 67 and name HB))
   and bondedto
   ((resi 67 and name CB)))
   ((resi 68 and name HD#))  6.0 0.1 0.1
    peak 1715  ppm1  3.85 ppm2  6.67 volume   4.58e+06 { 1715 }
assi (((resi 67 and name HG2#))
   and bondedto
   ((resi 67 and name CG2)))
   ((resi 40 and name HA))  6.0 0.1 0.1
    peak 1716  ppm1  1.15 ppm2  6.03 volume   6.63e+06 { 1716 }
assi (((resi 67 and name HG2#))
   and bondedto
   ((resi 67 and name CG2)))
   ((resi 67 and name HA))  6.0 0.1 0.1
    peak 1717  ppm1  1.15 ppm2  5.46 volume   3.09e+07 { 1717 }
assi (((resi 67 and name HG2#))
   and bondedto
   ((resi 67 and name CG2)))
   ((resi 67 and name HB))  6.0 0.1 0.1
    peak 1718  ppm1  1.15 ppm2  3.84 volume   5.84e+07 { 1718 }
assi (((resi 67 and name HG2#))
   and bondedto
   ((resi 67 and name CG2)))
   ((resi 67 and name HN))  6.0 0.1 0.1
    peak 1719  ppm1  1.15 ppm2  8.94 volume   7.36e+06 { 1719 }
assi (((resi 67 and name HG2#))
   and bondedto
   ((resi 67 and name CG2)))
   ((resi 68 and name HN))  6.0 0.1 0.1
    peak 1720  ppm1  1.15 ppm2  9.71 volume   2.40e+07 { 1720 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 1721  ppm1  4.52 ppm2  0.51 volume   8.69e+06 { 1721 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 1722  ppm1  4.53 ppm2 -0.17 volume   2.98e+07 { 1722 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 68 and name HB2))  6.0 0.1 0.1
    peak 1723  ppm1  4.53 ppm2  1.37 volume   1.08e+08 { 1723 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 68 and name HD#))  6.0 0.1 0.1
    peak 1724  ppm1  4.52 ppm2  6.70 volume   7.48e+06 { 1724 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 1725  ppm1  4.52 ppm2  3.49 volume   2.26e+07 { 1725 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 69 and name HD2))  6.0 0.1 0.1
    peak 1726  ppm1  4.53 ppm2  3.73 volume   2.30e+08 { 1726 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 69 and name HG1))  6.0 0.1 0.1
    peak 1727  ppm1  4.53 ppm2  1.91 volume   8.87e+07 { 1727 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 69 and name HG2))  6.0 0.1 0.1
    peak 1728  ppm1  4.52 ppm2  2.12 volume   1.61e+08 { 1728 }
assi (((resi 68 and name HA))
   and bondedto
   ((resi 68 and name CA)))
   ((resi 72 and name HG))  6.0 0.1 0.1
    peak 1729  ppm1  4.53 ppm2  1.03 volume   2.37e+07 { 1729 }
assi (((resi 68 and name HB1))
   and bondedto
   ((resi 68 and name CB)))
   ((resi 68 and name HA))  6.0 0.1 0.1
    peak 1730  ppm1  2.15 ppm2  4.51 volume   3.91e+06 { 1730 }
assi (((resi 68 and name HB2))
   and bondedto
   ((resi 68 and name CB)))
   ((resi 68 and name HA))  6.0 0.1 0.1
    peak 1731  ppm1  1.36 ppm2  4.53 volume   5.65e+06 { 1731 }
assi (((resi 68 and name HB2))
   and bondedto
   ((resi 68 and name CB)))
   ((resi 68 and name HB1))  6.0 0.1 0.1
    peak 1732  ppm1  1.37 ppm2  2.14 volume   1.97e+07 { 1732 }
assi (((resi 68 and name HB1))
   and bondedto
   ((resi 68 and name CB)))
   ((resi 68 and name HB2))  6.0 0.1 0.1
    peak 1733  ppm1  2.16 ppm2  1.37 volume   2.03e+07 { 1733 }
assi (((resi 68 and name HB1))
   and bondedto
   ((resi 68 and name CB)))
   ((resi 68 and name HD#))  6.0 0.1 0.1
    peak 1734  ppm1  2.15 ppm2  6.70 volume   1.24e+07 { 1734 }
assi (((resi 68 and name HB2))
   and bondedto
   ((resi 68 and name CB)))
   ((resi 68 and name HD#))  6.0 0.1 0.1
    peak 1735  ppm1  1.37 ppm2  6.70 volume   1.30e+07 { 1735 }
assi (((resi 68 and name HB1))
   and bondedto
   ((resi 68 and name CB)))
   ((resi 68 and name HN))  6.0 0.1 0.1
    peak 1736  ppm1  2.15 ppm2  9.70 volume   4.77e+06 { 1736 }
assi (((resi 68 and name HB2))
   and bondedto
   ((resi 68 and name CB)))
   ((resi 68 and name HN))  6.0 0.1 0.1
    peak 1737  ppm1  1.38 ppm2  9.70 volume   3.80e+06 { 1737 }
assi (((resi 69 and name HB1))
   and bondedto
   ((resi 69 and name CB)))
   ((resi 69 and name HA))  6.0 0.1 0.1
    peak 1738  ppm1  2.07 ppm2  4.65 volume   1.69e+08 { 1738 }
assi (((resi 69 and name HB2))
   and bondedto
   ((resi 69 and name CB)))
   ((resi 69 and name HA))  6.0 0.1 0.1
    peak 1739  ppm1  1.93 ppm2  4.66 volume   2.27e+08 { 1739 }
assi (((resi 69 and name HB1))
   and bondedto
   ((resi 69 and name CB)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 1740  ppm1  2.07 ppm2  3.47 volume   5.92e+06 { 1740 }
assi (((resi 69 and name HB2))
   and bondedto
   ((resi 69 and name CB)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 1741  ppm1  1.93 ppm2  3.49 volume   2.71e+07 { 1741 }
assi (((resi 69 and name HB1))
   and bondedto
   ((resi 69 and name CB)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 1742  ppm1  2.05 ppm2  7.65 volume   8.42e+06 { 1742 }
assi (((resi 69 and name HD1))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 1743  ppm1  3.49 ppm2  0.50 volume   9.02e+06 { 1743 }
assi (((resi 69 and name HD2))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 1744  ppm1  3.75 ppm2  0.50 volume   8.43e+06 { 1744 }
assi (((resi 69 and name HD1))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 68 and name HA))  6.0 0.1 0.1
    peak 1745  ppm1  3.49 ppm2  4.53 volume   1.75e+07 { 1745 }
assi (((resi 69 and name HD2))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 68 and name HA))  6.0 0.1 0.1
    peak 1746  ppm1  3.74 ppm2  4.53 volume   2.88e+07 { 1746 }
assi (((resi 69 and name HD2))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 1747  ppm1  3.74 ppm2  3.50 volume   3.73e+08 { 1747 }
assi (((resi 69 and name HD1))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 69 and name HD2))  6.0 0.1 0.1
    peak 1748  ppm1  3.50 ppm2  3.73 volume   3.21e+08 { 1748 }
assi (((resi 69 and name HD1))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 69 and name HG1))  6.0 0.1 0.1
    peak 1749  ppm1  3.49 ppm2  1.90 volume   1.63e+07 { 1749 }
assi (((resi 69 and name HD2))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 69 and name HG1))  6.0 0.1 0.1
    peak 1750  ppm1  3.73 ppm2  1.90 volume   3.47e+07 { 1750 }
assi (((resi 69 and name HD1))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 69 and name HG2))  6.0 0.1 0.1
    peak 1751  ppm1  3.49 ppm2  2.08 volume   1.85e+07 { 1751 }
assi (((resi 69 and name HD2))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 69 and name HG2))  6.0 0.1 0.1
    peak 1752  ppm1  3.73 ppm2  2.08 volume   4.90e+07 { 1752 }
assi (((resi 69 and name HD1))
   and bondedto
   ((resi 69 and name CD)))
   ((resi 72 and name HG))  6.0 0.1 0.1
    peak 1753  ppm1  3.50 ppm2  1.01 volume   9.65e+06 { 1753 }
assi (((resi 69 and name HG1))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 1 and name HA))  6.0 0.1 0.1
    peak 1754  ppm1  1.89 ppm2  4.50 volume   1.03e+07 { 1754 }
assi (((resi 69 and name HG2))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 1 and name HA))  6.0 0.1 0.1
    peak 1755  ppm1  2.11 ppm2  4.48 volume   7.24e+06 { 1755 }
assi (((resi 69 and name HG2))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 67 and name HG2#))  6.0 0.1 0.1
    peak 1756  ppm1  2.07 ppm2  1.16 volume   4.34e+07 { 1756 }
assi (((resi 69 and name HG1))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 69 and name HA))  6.0 0.1 0.1
    peak 1757  ppm1  1.90 ppm2  4.64 volume   5.87e+06 { 1757 }
assi (((resi 69 and name HG2))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 69 and name HA))  6.0 0.1 0.1
    peak 1758  ppm1  2.09 ppm2  4.67 volume   8.18e+06 { 1758 }
assi (((resi 69 and name HG1))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 69 and name HB1))  6.0 0.1 0.1
    peak 1759  ppm1  1.89 ppm2  2.07 volume   6.84e+08 { 1759 }
assi (((resi 69 and name HG1))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 1760  ppm1  1.88 ppm2  3.48 volume   9.62e+06 { 1760 }
assi (((resi 69 and name HG2))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 1761  ppm1  2.08 ppm2  3.50 volume   9.90e+06 { 1761 }
assi (((resi 69 and name HG1))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 69 and name HD2))  6.0 0.1 0.1
    peak 1762  ppm1  1.89 ppm2  3.74 volume   1.39e+07 { 1762 }
assi (((resi 69 and name HG2))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 69 and name HD2))  6.0 0.1 0.1
    peak 1763  ppm1  2.09 ppm2  3.74 volume   8.38e+06 { 1763 }
assi (((resi 69 and name HG2))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 69 and name HG1))  6.0 0.1 0.1
    peak 1764  ppm1  2.09 ppm2  1.91 volume   3.56e+08 { 1764 }
assi (((resi 69 and name HG2))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 1765  ppm1  2.09 ppm2  7.64 volume   7.25e+06 { 1765 }
assi (((resi 69 and name HG1))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 72 and name HB2))  6.0 0.1 0.1
    peak 1766  ppm1  1.87 ppm2  1.59 volume   1.54e+08 { 1766 }
assi (((resi 69 and name HG2))
   and bondedto
   ((resi 69 and name CG)))
   ((resi 72 and name HB2))  6.0 0.1 0.1
    peak 1767  ppm1  2.08 ppm2  1.61 volume   8.01e+07 { 1767 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 35 and name HB2))  6.0 0.1 0.1
    peak 1768  ppm1  3.45 ppm2  2.76 volume   1.26e+07 { 1768 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 37 and name HA))  6.0 0.1 0.1
    peak 1769  ppm1  3.45 ppm2  4.28 volume   6.24e+06 { 1769 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 69 and name HA))  6.0 0.1 0.1
    peak 1770  ppm1  3.46 ppm2  4.68 volume   5.66e+06 { 1770 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 70 and name HB1))  6.0 0.1 0.1
    peak 1771  ppm1  3.46 ppm2  1.45 volume   8.09e+06 { 1771 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 70 and name HB2))  6.0 0.1 0.1
    peak 1772  ppm1  3.46 ppm2  1.33 volume   1.26e+07 { 1772 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 70 and name HD#))  6.0 0.1 0.1
    peak 1773  ppm1  3.46 ppm2  1.56 volume   8.18e+06 { 1773 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 1774  ppm1  3.46 ppm2  1.06 volume   2.40e+07 { 1774 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 1775  ppm1  3.47 ppm2  7.64 volume   1.21e+07 { 1775 }
assi (((resi 70 and name HA))
   and bondedto
   ((resi 70 and name CA)))
   ((resi 71 and name HN))  6.0 0.1 0.1
    peak 1776  ppm1  3.46 ppm2  9.37 volume   3.41e+07 { 1776 }
assi (((resi 70 and name HB1))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 37 and name HA))  6.0 0.1 0.1
    peak 1777  ppm1  1.44 ppm2  4.28 volume   4.91e+06 { 1777 }
assi (((resi 70 and name HB2))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 37 and name HA))  6.0 0.1 0.1
    peak 1778  ppm1  1.34 ppm2  4.27 volume   4.94e+06 { 1778 }
assi (((resi 70 and name HB1))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 69 and name HA))  6.0 0.1 0.1
    peak 1779  ppm1  1.46 ppm2  4.65 volume   4.46e+07 { 1779 }
assi (((resi 70 and name HB2))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 69 and name HA))  6.0 0.1 0.1
    peak 1780  ppm1  1.38 ppm2  4.68 volume   3.16e+07 { 1780 }
assi (((resi 70 and name HB1))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HA))  6.0 0.1 0.1
    peak 1781  ppm1  1.45 ppm2  3.46 volume   6.35e+06 { 1781 }
assi (((resi 70 and name HB2))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HA))  6.0 0.1 0.1
    peak 1782  ppm1  1.35 ppm2  3.45 volume   5.95e+06 { 1782 }
assi (((resi 70 and name HB2))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HD#))  6.0 0.1 0.1
    peak 1783  ppm1  1.34 ppm2  1.56 volume   1.38e+08 { 1783 }
assi (((resi 70 and name HB1))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HE#))  6.0 0.1 0.1
    peak 1784  ppm1  1.46 ppm2  2.96 volume   6.01e+06 { 1784 }
assi (((resi 70 and name HB2))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HE#))  6.0 0.1 0.1
    peak 1785  ppm1  1.35 ppm2  2.97 volume   4.24e+06 { 1785 }
assi (((resi 70 and name HB1))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 1786  ppm1  1.45 ppm2  1.07 volume   2.99e+08 { 1786 }
assi (((resi 70 and name HB2))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 1787  ppm1  1.35 ppm2  1.07 volume   2.58e+08 { 1787 }
assi (((resi 70 and name HB1))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 1788  ppm1  1.45 ppm2  7.63 volume   1.09e+07 { 1788 }
assi (((resi 70 and name HB2))
   and bondedto
   ((resi 70 and name CB)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 1789  ppm1  1.35 ppm2  7.63 volume   1.05e+07 { 1789 }
assi (((resi 70 and name HD#))
   and bondedto
   ((resi 70 and name CD)))
   ((resi 37 and name HA))  6.0 0.1 0.1
    peak 1790  ppm1  1.60 ppm2  4.28 volume   1.55e+07 { 1790 }
assi (((resi 70 and name HD#))
   and bondedto
   ((resi 70 and name CD)))
   ((resi 38 and name HN))  6.0 0.1 0.1
    peak 1791  ppm1  1.57 ppm2  7.82 volume   4.14e+06 { 1791 }
assi (((resi 70 and name HD#))
   and bondedto
   ((resi 70 and name CD)))
   ((resi 70 and name HA))  6.0 0.1 0.1
    peak 1792  ppm1  1.59 ppm2  3.46 volume   3.73e+06 { 1792 }
assi (((resi 70 and name HD#))
   and bondedto
   ((resi 70 and name CD)))
   ((resi 70 and name HE#))  6.0 0.1 0.1
    peak 1793  ppm1  1.61 ppm2  2.96 volume   4.11e+07 { 1793 }
assi (((resi 70 and name HD#))
   and bondedto
   ((resi 70 and name CD)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 1794  ppm1  1.60 ppm2  1.08 volume   3.53e+08 { 1794 }
assi (((resi 70 and name HD#))
   and bondedto
   ((resi 70 and name CD)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 1795  ppm1  1.60 ppm2  7.64 volume   3.47e+06 { 1795 }
assi (((resi 70 and name HE#))
   and bondedto
   ((resi 70 and name CE)))
   ((resi 37 and name HA))  6.0 0.1 0.1
    peak 1796  ppm1  2.97 ppm2  4.27 volume   1.07e+08 { 1796 }
assi (((resi 70 and name HE#))
   and bondedto
   ((resi 70 and name CE)))
   ((resi 70 and name HA))  6.0 0.1 0.1
    peak 1797  ppm1  2.96 ppm2  3.44 volume   1.08e+08 { 1797 }
assi (((resi 70 and name HE#))
   and bondedto
   ((resi 70 and name CE)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 1798  ppm1  2.97 ppm2  1.07 volume   4.15e+08 { 1798 }
assi (((resi 70 and name HG#))
   and bondedto
   ((resi 70 and name CG)))
   ((resi 37 and name HA))  6.0 0.1 0.1
    peak 1799  ppm1  1.08 ppm2  4.29 volume   1.44e+07 { 1799 }
assi (((resi 70 and name HG#))
   and bondedto
   ((resi 70 and name CG)))
   ((resi 37 and name HN))  6.0 0.1 0.1
    peak 1800  ppm1  1.08 ppm2  7.78 volume   3.88e+06 { 1800 }
assi (((resi 70 and name HG#))
   and bondedto
   ((resi 70 and name CG)))
   ((resi 70 and name HA))  6.0 0.1 0.1
    peak 1801  ppm1  1.07 ppm2  3.46 volume   1.24e+07 { 1801 }
assi (((resi 70 and name HG#))
   and bondedto
   ((resi 70 and name CG)))
   ((resi 70 and name HE#))  6.0 0.1 0.1
    peak 1802  ppm1  1.07 ppm2  2.97 volume   1.85e+07 { 1802 }
assi (((resi 70 and name HG#))
   and bondedto
   ((resi 70 and name CG)))
   ((resi 70 and name HN))  6.0 0.1 0.1
    peak 1803  ppm1  1.09 ppm2  7.63 volume   5.52e+06 { 1803 }
assi (((resi 70 and name HG#))
   and bondedto
   ((resi 70 and name CG)))
   ((resi 71 and name HN))  6.0 0.1 0.1
    peak 1804  ppm1  1.08 ppm2  9.38 volume   6.16e+06 { 1804 }
assi (((resi 71 and name HA1))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 34 and name HE#))  6.0 0.1 0.1
    peak 1805  ppm1  4.37 ppm2  6.65 volume   1.15e+07 { 1805 }
assi (((resi 71 and name HA2))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 34 and name HE#))  6.0 0.1 0.1
    peak 1806  ppm1  3.60 ppm2  6.66 volume   1.39e+07 { 1806 }
assi (((resi 71 and name HA1))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 69 and name HB1))  6.0 0.1 0.1
    peak 1807  ppm1  4.38 ppm2  2.07 volume   9.33e+07 { 1807 }
assi (((resi 71 and name HA2))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 69 and name HB1))  6.0 0.1 0.1
    peak 1808  ppm1  3.61 ppm2  2.08 volume   5.67e+06 { 1808 }
assi (((resi 71 and name HA1))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 1809  ppm1  4.40 ppm2  1.07 volume   8.41e+06 { 1809 }
assi (((resi 71 and name HA2))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 70 and name HG#))  6.0 0.1 0.1
    peak 1810  ppm1  3.61 ppm2  1.08 volume   9.14e+06 { 1810 }
assi (((resi 71 and name HA2))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 71 and name HA1))  6.0 0.1 0.1
    peak 1811  ppm1  3.60 ppm2  4.38 volume   9.92e+08 { 1811 }
assi (((resi 71 and name HA1))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 71 and name HA2))  6.0 0.1 0.1
    peak 1812  ppm1  4.38 ppm2  3.60 volume   9.64e+08 { 1812 }
assi (((resi 71 and name HA1))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 71 and name HN))  6.0 0.1 0.1
    peak 1813  ppm1  4.38 ppm2  9.37 volume   2.46e+07 { 1813 }
assi (((resi 71 and name HA2))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 71 and name HN))  6.0 0.1 0.1
    peak 1814  ppm1  3.60 ppm2  9.37 volume   2.79e+07 { 1814 }
assi (((resi 71 and name HA1))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 1815  ppm1  4.38 ppm2  7.70 volume   9.54e+06 { 1815 }
assi (((resi 71 and name HA2))
   and bondedto
   ((resi 71 and name CA)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 1816  ppm1  3.62 ppm2  7.69 volume   8.12e+06 { 1816 }
assi (((resi 72 and name HA))
   and bondedto
   ((resi 72 and name CA)))
   ((resi 72 and name HD*))  6.0 0.1 0.1
    peak 1817  ppm1  4.43 ppm2  1.16 volume   3.69e+08 { 1817 }
assi (((resi 72 and name HA))
   and bondedto
   ((resi 72 and name CA)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 1818  ppm1  4.43 ppm2  7.68 volume   1.13e+07 { 1818 }
assi (((resi 72 and name HA))
   and bondedto
   ((resi 72 and name CA)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1819  ppm1  4.43 ppm2  8.56 volume   4.91e+07 { 1819 }
assi (((resi 72 and name HB1))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 35 and name HD#))  6.0 0.1 0.1
    peak 1820  ppm1  2.20 ppm2  7.14 volume   6.20e+06 { 1820 }
assi (((resi 72 and name HB2))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 35 and name HD#))  6.0 0.1 0.1
    peak 1821  ppm1  1.59 ppm2  7.14 volume   5.62e+06 { 1821 }
assi (((resi 72 and name HB1))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HA))  6.0 0.1 0.1
    peak 1822  ppm1  2.20 ppm2  4.43 volume   6.98e+06 { 1822 }
assi (((resi 72 and name HB2))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HA))  6.0 0.1 0.1
    peak 1823  ppm1  1.60 ppm2  4.43 volume   1.00e+07 { 1823 }
assi (((resi 72 and name HB2))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HB1))  6.0 0.1 0.1
    peak 1824  ppm1  1.60 ppm2  2.19 volume   1.68e+08 { 1824 }
assi (((resi 72 and name HB1))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HB2))  6.0 0.1 0.1
    peak 1825  ppm1  2.20 ppm2  1.60 volume   2.54e+07 { 1825 }
assi (((resi 72 and name HB1))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HD*))  6.0 0.1 0.1
    peak 1826  ppm1  2.21 ppm2  1.16 volume   1.04e+07 { 1826 }
assi (((resi 72 and name HB2))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HD*))  6.0 0.1 0.1
    peak 1827  ppm1  1.61 ppm2  1.16 volume   1.32e+08 { 1827 }
assi (((resi 72 and name HB1))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HG))  6.0 0.1 0.1
    peak 1828  ppm1  2.21 ppm2  1.00 volume   1.19e+07 { 1828 }
assi (((resi 72 and name HB2))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HG))  6.0 0.1 0.1
    peak 1829  ppm1  1.60 ppm2  1.00 volume   1.26e+08 { 1829 }
assi (((resi 72 and name HB1))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 1830  ppm1  2.21 ppm2  7.69 volume   9.25e+06 { 1830 }
assi (((resi 72 and name HB2))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 1831  ppm1  1.60 ppm2  7.69 volume   1.11e+07 { 1831 }
assi (((resi 72 and name HB1))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1832  ppm1  2.19 ppm2  8.57 volume   4.45e+06 { 1832 }
assi (((resi 72 and name HB2))
   and bondedto
   ((resi 72 and name CB)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1833  ppm1  1.60 ppm2  8.56 volume   4.29e+06 { 1833 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 1 and name HG2))  6.0 0.1 0.1
    peak 1834  ppm1  1.18 ppm2  2.54 volume   2.54e+07 { 1834 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 1835  ppm1  1.17 ppm2  0.49 volume   9.42e+07 { 1835 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 35 and name HB2))  6.0 0.1 0.1
    peak 1836  ppm1  1.18 ppm2  2.77 volume   8.23e+06 { 1836 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 52 and name HB))  6.0 0.1 0.1
    peak 1837  ppm1  1.18 ppm2  5.01 volume   2.23e+07 { 1837 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 1838  ppm1  1.18 ppm2  3.49 volume   7.81e+06 { 1838 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 69 and name HD2))  6.0 0.1 0.1
    peak 1839  ppm1  1.17 ppm2  3.74 volume   8.85e+06 { 1839 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 72 and name HA))  6.0 0.1 0.1
    peak 1840  ppm1  1.17 ppm2  4.43 volume   7.84e+07 { 1840 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 72 and name HB1))  6.0 0.1 0.1
    peak 1841  ppm1  1.17 ppm2  2.20 volume   2.16e+08 { 1841 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 72 and name HB2))  6.0 0.1 0.1
    peak 1842  ppm1  1.17 ppm2  1.58 volume   1.10e+09 { 1842 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 1843  ppm1  1.17 ppm2  7.69 volume   1.01e+07 { 1843 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 73 and name HB2))  6.0 0.1 0.1
    peak 1844  ppm1  1.17 ppm2  2.04 volume   3.19e+08 { 1844 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1845  ppm1  1.17 ppm2  8.57 volume   5.27e+07 { 1845 }
assi (((resi 72 and name HD*))
   and bondedto
   ((resi 72 and name CD#)))
   ((resi 74 and name HB1))  6.0 0.1 0.1
    peak 1846  ppm1  1.18 ppm2  3.11 volume   1.38e+07 { 1846 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 3 and name HG1#))  6.0 0.1 0.1
    peak 1847  ppm1  1.00 ppm2  0.49 volume   3.87e+07 { 1847 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 3 and name HG2#))  6.0 0.1 0.1
    peak 1848  ppm1  1.01 ppm2 -0.18 volume   1.67e+07 { 1848 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 33 and name HE3))  6.0 0.1 0.1
    peak 1849  ppm1  1.00 ppm2  6.46 volume   7.53e+06 { 1849 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 33 and name HH2))  6.0 0.1 0.1
    peak 1850  ppm1  1.00 ppm2  6.95 volume   8.47e+06 { 1850 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 35 and name HB2))  6.0 0.1 0.1
    peak 1851  ppm1  1.01 ppm2  2.76 volume   5.12e+06 { 1851 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 35 and name HD#))  6.0 0.1 0.1
    peak 1852  ppm1  1.00 ppm2  7.14 volume   9.88e+06 { 1852 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 35 and name HE#))  6.0 0.1 0.1
    peak 1853  ppm1  1.00 ppm2  6.70 volume   2.51e+07 { 1853 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 69 and name HD1))  6.0 0.1 0.1
    peak 1854  ppm1  1.00 ppm2  3.48 volume   1.59e+07 { 1854 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 69 and name HD2))  6.0 0.1 0.1
    peak 1855  ppm1  1.00 ppm2  3.74 volume   1.04e+07 { 1855 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 69 and name HG1))  6.0 0.1 0.1
    peak 1856  ppm1  1.00 ppm2  1.86 volume   1.02e+08 { 1856 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 72 and name HA))  6.0 0.1 0.1
    peak 1857  ppm1  1.00 ppm2  4.44 volume   1.16e+07 { 1857 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 72 and name HB1))  6.0 0.1 0.1
    peak 1858  ppm1  1.00 ppm2  2.19 volume   2.11e+08 { 1858 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 72 and name HB2))  6.0 0.1 0.1
    peak 1859  ppm1  1.00 ppm2  1.59 volume   5.83e+08 { 1859 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 72 and name HD*))  6.0 0.1 0.1
    peak 1860  ppm1  1.00 ppm2  1.14 volume   4.20e+08 { 1860 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 72 and name HN))  6.0 0.1 0.1
    peak 1861  ppm1  1.00 ppm2  7.69 volume   7.37e+06 { 1861 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1862  ppm1  1.00 ppm2  8.57 volume   4.32e+06 { 1862 }
assi (((resi 72 and name HG))
   and bondedto
   ((resi 72 and name CG)))
   ((resi 74 and name HB1))  6.0 0.1 0.1
    peak 1863  ppm1  1.00 ppm2  3.10 volume   4.97e+06 { 1863 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 34 and name HB1))  6.0 0.1 0.1
    peak 1864  ppm1  5.34 ppm2  2.82 volume   9.73e+07 { 1864 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 34 and name HB2))  6.0 0.1 0.1
    peak 1865  ppm1  5.34 ppm2  2.46 volume   2.20e+07 { 1865 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 1866  ppm1  5.34 ppm2  6.81 volume   1.50e+07 { 1866 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 35 and name HN))  6.0 0.1 0.1
    peak 1867  ppm1  5.33 ppm2  7.99 volume   1.22e+07 { 1867 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 73 and name HB1))  6.0 0.1 0.1
    peak 1868  ppm1  5.33 ppm2  1.86 volume   3.73e+07 { 1868 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 73 and name HB2))  6.0 0.1 0.1
    peak 1869  ppm1  5.32 ppm2  2.02 volume   2.12e+07 { 1869 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 73 and name HD#))  6.0 0.1 0.1
    peak 1870  ppm1  5.34 ppm2  3.21 volume   3.57e+07 { 1870 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1871  ppm1  5.34 ppm2  8.56 volume   6.97e+06 { 1871 }
assi (((resi 73 and name HA))
   and bondedto
   ((resi 73 and name CA)))
   ((resi 74 and name HN))  6.0 0.1 0.1
    peak 1872  ppm1  5.33 ppm2  9.10 volume   4.12e+08 { 1872 }
assi (((resi 73 and name HB1))
   and bondedto
   ((resi 73 and name CB)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 1873  ppm1  1.88 ppm2  6.81 volume   8.85e+06 { 1873 }
assi (((resi 73 and name HB2))
   and bondedto
   ((resi 73 and name CB)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 1874  ppm1  2.01 ppm2  6.81 volume   5.64e+06 { 1874 }
assi (((resi 73 and name HB1))
   and bondedto
   ((resi 73 and name CB)))
   ((resi 73 and name HA))  6.0 0.1 0.1
    peak 1875  ppm1  1.88 ppm2  5.34 volume   1.07e+07 { 1875 }
assi (((resi 73 and name HB2))
   and bondedto
   ((resi 73 and name CB)))
   ((resi 73 and name HA))  6.0 0.1 0.1
    peak 1876  ppm1  2.00 ppm2  5.34 volume   9.91e+06 { 1876 }
assi (((resi 73 and name HB1))
   and bondedto
   ((resi 73 and name CB)))
   ((resi 73 and name HD#))  6.0 0.1 0.1
    peak 1877  ppm1  1.88 ppm2  3.21 volume   1.14e+07 { 1877 }
assi (((resi 73 and name HB2))
   and bondedto
   ((resi 73 and name CB)))
   ((resi 73 and name HD#))  6.0 0.1 0.1
    peak 1878  ppm1  2.01 ppm2  3.22 volume   1.01e+07 { 1878 }
assi (((resi 73 and name HB1))
   and bondedto
   ((resi 73 and name CB)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1879  ppm1  1.89 ppm2  8.56 volume   8.97e+06 { 1879 }
assi (((resi 73 and name HD#))
   and bondedto
   ((resi 73 and name CD)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 1880  ppm1  3.22 ppm2  6.82 volume   7.41e+06 { 1880 }
assi (((resi 73 and name HD#))
   and bondedto
   ((resi 73 and name CD)))
   ((resi 53 and name HB2))  6.0 0.1 0.1
    peak 1881  ppm1  3.20 ppm2  2.23 volume   8.63e+07 { 1881 }
assi (((resi 73 and name HD#))
   and bondedto
   ((resi 73 and name CD)))
   ((resi 73 and name HA))  6.0 0.1 0.1
    peak 1882  ppm1  3.23 ppm2  5.33 volume   5.84e+06 { 1882 }
assi (((resi 73 and name HD#))
   and bondedto
   ((resi 73 and name CD)))
   ((resi 73 and name HB1))  6.0 0.1 0.1
    peak 1883  ppm1  3.23 ppm2  1.87 volume   7.07e+08 { 1883 }
assi (((resi 73 and name HD#))
   and bondedto
   ((resi 73 and name CD)))
   ((resi 73 and name HB2))  6.0 0.1 0.1
    peak 1884  ppm1  3.22 ppm2  1.99 volume   2.75e+08 { 1884 }
assi (((resi 73 and name HD#))
   and bondedto
   ((resi 73 and name CD)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1885  ppm1  3.21 ppm2  8.56 volume   5.68e+06 { 1885 }
assi (((resi 73 and name HG1))
   and bondedto
   ((resi 73 and name CG)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 1886  ppm1  1.87 ppm2  6.82 volume   7.00e+07 { 1886 }
assi (((resi 73 and name HG2))
   and bondedto
   ((resi 73 and name CG)))
   ((resi 34 and name HD#))  6.0 0.1 0.1
    peak 1887  ppm1  1.71 ppm2  6.80 volume   9.60e+07 { 1887 }
assi (((resi 73 and name HG1))
   and bondedto
   ((resi 73 and name CG)))
   ((resi 73 and name HD#))  6.0 0.1 0.1
    peak 1888  ppm1  1.87 ppm2  3.22 volume   2.51e+08 { 1888 }
assi (((resi 73 and name HG2))
   and bondedto
   ((resi 73 and name CG)))
   ((resi 73 and name HD#))  6.0 0.1 0.1
    peak 1889  ppm1  1.73 ppm2  3.22 volume   2.45e+08 { 1889 }
assi (((resi 73 and name HG1))
   and bondedto
   ((resi 73 and name CG)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1890  ppm1  1.86 ppm2  8.58 volume   4.86e+07 { 1890 }
assi (((resi 73 and name HG2))
   and bondedto
   ((resi 73 and name CG)))
   ((resi 73 and name HN))  6.0 0.1 0.1
    peak 1891  ppm1  1.71 ppm2  8.56 volume   1.67e+07 { 1891 }
assi (((resi 73 and name HG1))
   and bondedto
   ((resi 73 and name CG)))
   ((resi 74 and name HN))  6.0 0.1 0.1
    peak 1892  ppm1  1.87 ppm2  9.09 volume   3.92e+07 { 1892 }
assi (((resi 73 and name HG2))
   and bondedto
   ((resi 73 and name CG)))
   ((resi 74 and name HN))  6.0 0.1 0.1
    peak 1893  ppm1  1.72 ppm2  9.09 volume   1.21e+07 { 1893 }
assi (((resi 74 and name HA))
   and bondedto
   ((resi 74 and name CA)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1894  ppm1  5.47 ppm2  0.85 volume   7.93e+06 { 1894 }
assi (((resi 74 and name HA))
   and bondedto
   ((resi 74 and name CA)))
   ((resi 52 and name HA))  6.0 0.1 0.1
    peak 1895  ppm1  5.47 ppm2  4.76 volume   2.50e+08 { 1895 }
assi (((resi 74 and name HA))
   and bondedto
   ((resi 74 and name CA)))
   ((resi 52 and name HG2#))  6.0 0.1 0.1
    peak 1896  ppm1  5.46 ppm2  1.57 volume   9.95e+06 { 1896 }
assi (((resi 74 and name HA))
   and bondedto
   ((resi 74 and name CA)))
   ((resi 53 and name HN))  6.0 0.1 0.1
    peak 1897  ppm1  5.47 ppm2  8.59 volume   5.29e+06 { 1897 }
assi (((resi 74 and name HA))
   and bondedto
   ((resi 74 and name CA)))
   ((resi 74 and name HB1))  6.0 0.1 0.1
    peak 1898  ppm1  5.47 ppm2  3.10 volume   2.37e+07 { 1898 }
assi (((resi 74 and name HA))
   and bondedto
   ((resi 74 and name CA)))
   ((resi 74 and name HB2))  6.0 0.1 0.1
    peak 1899  ppm1  5.46 ppm2  2.77 volume   2.40e+07 { 1899 }
assi (((resi 74 and name HA))
   and bondedto
   ((resi 74 and name CA)))
   ((resi 74 and name HN))  6.0 0.1 0.1
    peak 1900  ppm1  5.46 ppm2  9.07 volume   3.45e+08 { 1900 }
assi (((resi 74 and name HA))
   and bondedto
   ((resi 74 and name CA)))
   ((resi 75 and name HB1))  6.0 0.1 0.1
    peak 1901  ppm1  5.46 ppm2  1.80 volume   8.48e+06 { 1901 }
assi (((resi 74 and name HB1))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1902  ppm1  3.10 ppm2  0.85 volume   1.35e+07 { 1902 }
assi (((resi 74 and name HB2))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1903  ppm1  2.77 ppm2  0.85 volume   1.45e+07 { 1903 }
assi (((resi 74 and name HB1))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 52 and name HG2#))  6.0 0.1 0.1
    peak 1904  ppm1  3.11 ppm2  1.57 volume   1.63e+07 { 1904 }
assi (((resi 74 and name HB2))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 52 and name HG2#))  6.0 0.1 0.1
    peak 1905  ppm1  2.78 ppm2  1.57 volume   1.32e+07 { 1905 }
assi (((resi 74 and name HB1))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 74 and name HA))  6.0 0.1 0.1
    peak 1906  ppm1  3.11 ppm2  5.47 volume   2.05e+07 { 1906 }
assi (((resi 74 and name HB2))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 74 and name HA))  6.0 0.1 0.1
    peak 1907  ppm1  2.77 ppm2  5.47 volume   1.99e+07 { 1907 }
assi (((resi 74 and name HB2))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 74 and name HB1))  6.0 0.1 0.1
    peak 1908  ppm1  2.77 ppm2  3.10 volume   3.36e+07 { 1908 }
assi (((resi 74 and name HB1))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 74 and name HB2))  6.0 0.1 0.1
    peak 1909  ppm1  3.11 ppm2  2.77 volume   3.64e+07 { 1909 }
assi (((resi 74 and name HB1))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 74 and name HN))  6.0 0.1 0.1
    peak 1910  ppm1  3.11 ppm2  9.06 volume   1.67e+07 { 1910 }
assi (((resi 74 and name HB2))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 74 and name HN))  6.0 0.1 0.1
    peak 1911  ppm1  2.77 ppm2  9.07 volume   1.91e+07 { 1911 }
assi (((resi 74 and name HB2))
   and bondedto
   ((resi 74 and name CB)))
   ((resi 75 and name HB1))  6.0 0.1 0.1
    peak 1912  ppm1  2.77 ppm2  1.83 volume   7.10e+06 { 1912 }
assi (((resi 75 and name HA))
   and bondedto
   ((resi 75 and name CA)))
   ((resi 32 and name HA))  6.0 0.1 0.1
    peak 1913  ppm1  5.22 ppm2  5.42 volume   2.75e+08 { 1913 }
assi (((resi 75 and name HA))
   and bondedto
   ((resi 75 and name CA)))
   ((resi 75 and name HB2))  6.0 0.1 0.1
    peak 1914  ppm1  5.23 ppm2  1.87 volume   1.77e+07 { 1914 }
assi (((resi 75 and name HA))
   and bondedto
   ((resi 75 and name CA)))
   ((resi 75 and name HD#))  6.0 0.1 0.1
    peak 1915  ppm1  5.22 ppm2  3.21 volume   7.44e+06 { 1915 }
assi (((resi 75 and name HA))
   and bondedto
   ((resi 75 and name CA)))
   ((resi 75 and name HG#))  6.0 0.1 0.1
    peak 1916  ppm1  5.22 ppm2  1.55 volume   6.60e+06 { 1916 }
assi (((resi 75 and name HA))
   and bondedto
   ((resi 75 and name CA)))
   ((resi 76 and name HN))  6.0 0.1 0.1
    peak 1917  ppm1  5.22 ppm2  9.37 volume   4.05e+08 { 1917 }
assi (((resi 75 and name HB1))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 32 and name HA))  6.0 0.1 0.1
    peak 1918  ppm1  1.78 ppm2  5.45 volume   3.67e+06 { 1918 }
assi (((resi 75 and name HB2))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 32 and name HA))  6.0 0.1 0.1
    peak 1919  ppm1  1.87 ppm2  5.45 volume   4.95e+06 { 1919 }
assi (((resi 75 and name HB1))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 51 and name HB))  6.0 0.1 0.1
    peak 1920  ppm1  1.79 ppm2  4.03 volume   3.24e+06 { 1920 }
assi (((resi 75 and name HB2))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 51 and name HB))  6.0 0.1 0.1
    peak 1921  ppm1  1.89 ppm2  4.03 volume   5.39e+07 { 1921 }
assi (((resi 75 and name HB1))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 75 and name HA))  6.0 0.1 0.1
    peak 1922  ppm1  1.77 ppm2  5.23 volume   1.08e+07 { 1922 }
assi (((resi 75 and name HB2))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 75 and name HA))  6.0 0.1 0.1
    peak 1923  ppm1  1.87 ppm2  5.24 volume   8.83e+06 { 1923 }
assi (((resi 75 and name HB2))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 75 and name HD#))  6.0 0.1 0.1
    peak 1924  ppm1  1.88 ppm2  3.20 volume   1.35e+07 { 1924 }
assi (((resi 75 and name HB1))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 75 and name HN))  6.0 0.1 0.1
    peak 1925  ppm1  1.77 ppm2  9.05 volume   1.40e+07 { 1925 }
assi (((resi 75 and name HB2))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 75 and name HN))  6.0 0.1 0.1
    peak 1926  ppm1  1.87 ppm2  9.04 volume   1.04e+07 { 1926 }
assi (((resi 75 and name HB1))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 76 and name HN))  6.0 0.1 0.1
    peak 1927  ppm1  1.77 ppm2  9.38 volume   3.32e+06 { 1927 }
assi (((resi 75 and name HB2))
   and bondedto
   ((resi 75 and name CB)))
   ((resi 76 and name HN))  6.0 0.1 0.1
    peak 1928  ppm1  1.87 ppm2  9.36 volume   4.88e+06 { 1928 }
assi (((resi 75 and name HD#))
   and bondedto
   ((resi 75 and name CD)))
   ((resi 31 and name HN))  6.0 0.1 0.1
    peak 1929  ppm1  3.19 ppm2  8.70 volume   1.55e+07 { 1929 }
assi (((resi 75 and name HD#))
   and bondedto
   ((resi 75 and name CD)))
   ((resi 32 and name HA))  6.0 0.1 0.1
    peak 1930  ppm1  3.19 ppm2  5.44 volume   4.16e+07 { 1930 }
assi (((resi 75 and name HD#))
   and bondedto
   ((resi 75 and name CD)))
   ((resi 33 and name HN))  6.0 0.1 0.1
    peak 1931  ppm1  3.19 ppm2  9.37 volume   5.73e+06 { 1931 }
assi (((resi 75 and name HD#))
   and bondedto
   ((resi 75 and name CD)))
   ((resi 75 and name HA))  6.0 0.1 0.1
    peak 1932  ppm1  3.20 ppm2  5.24 volume   1.34e+07 { 1932 }
assi (((resi 75 and name HD#))
   and bondedto
   ((resi 75 and name CD)))
   ((resi 75 and name HB2))  6.0 0.1 0.1
    peak 1933  ppm1  3.21 ppm2  1.86 volume   4.85e+08 { 1933 }
assi (((resi 75 and name HD#))
   and bondedto
   ((resi 75 and name CD)))
   ((resi 75 and name HG#))  6.0 0.1 0.1
    peak 1934  ppm1  3.20 ppm2  1.54 volume   8.14e+08 { 1934 }
assi (((resi 75 and name HD#))
   and bondedto
   ((resi 75 and name CD)))
   ((resi 75 and name HN))  6.0 0.1 0.1
    peak 1935  ppm1  3.20 ppm2  9.05 volume   1.44e+07 { 1935 }
assi (((resi 75 and name HD#))
   and bondedto
   ((resi 75 and name CD)))
   ((resi 77 and name HD#))  6.0 0.1 0.1
    peak 1936  ppm1  3.20 ppm2  1.75 volume   4.52e+08 { 1936 }
assi (((resi 75 and name HG#))
   and bondedto
   ((resi 75 and name CG)))
   ((resi 32 and name HA))  6.0 0.1 0.1
    peak 1937  ppm1  1.54 ppm2  5.44 volume   5.54e+06 { 1937 }
assi (((resi 75 and name HG#))
   and bondedto
   ((resi 75 and name CG)))
   ((resi 33 and name HN))  6.0 0.1 0.1
    peak 1938  ppm1  1.55 ppm2  9.36 volume   6.44e+06 { 1938 }
assi (((resi 75 and name HG#))
   and bondedto
   ((resi 75 and name CG)))
   ((resi 75 and name HA))  6.0 0.1 0.1
    peak 1939  ppm1  1.53 ppm2  5.22 volume   1.45e+07 { 1939 }
assi (((resi 75 and name HG#))
   and bondedto
   ((resi 75 and name CG)))
   ((resi 75 and name HD#))  6.0 0.1 0.1
    peak 1940  ppm1  1.55 ppm2  3.19 volume   3.04e+07 { 1940 }
assi (((resi 75 and name HG#))
   and bondedto
   ((resi 75 and name CG)))
   ((resi 75 and name HN))  6.0 0.1 0.1
    peak 1941  ppm1  1.55 ppm2  9.06 volume   4.59e+06 { 1941 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 1942  ppm1  4.42 ppm2  0.38 volume   1.22e+07 { 1942 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 1943  ppm1  4.42 ppm2  9.02 volume   9.27e+06 { 1943 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 50 and name HA))  6.0 0.1 0.1
    peak 1944  ppm1  4.42 ppm2  4.98 volume   1.17e+08 { 1944 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 50 and name HG1#))  6.0 0.1 0.1
    peak 1945  ppm1  4.42 ppm2  0.86 volume   7.84e+06 { 1945 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 50 and name HG2#))  6.0 0.1 0.1
    peak 1946  ppm1  4.43 ppm2  0.08 volume   1.09e+07 { 1946 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 76 and name HB1))  6.0 0.1 0.1
    peak 1947  ppm1  4.43 ppm2  2.24 volume   1.39e+08 { 1947 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 76 and name HB2))  6.0 0.1 0.1
    peak 1948  ppm1  4.42 ppm2  1.81 volume   1.23e+08 { 1948 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 76 and name HD1))  6.0 0.1 0.1
    peak 1949  ppm1  4.41 ppm2  7.07 volume   7.46e+06 { 1949 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 76 and name HN))  6.0 0.1 0.1
    peak 1950  ppm1  4.43 ppm2  9.37 volume   7.20e+06 { 1950 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 77 and name HB2))  6.0 0.1 0.1
    peak 1951  ppm1  4.42 ppm2  1.58 volume   4.46e+07 { 1951 }
assi (((resi 76 and name HA))
   and bondedto
   ((resi 76 and name CA)))
   ((resi 77 and name HN))  6.0 0.1 0.1
    peak 1952  ppm1  4.42 ppm2  8.69 volume   5.08e+07 { 1952 }
assi (((resi 76 and name HB1))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 31 and name HN))  6.0 0.1 0.1
    peak 1953  ppm1  2.26 ppm2  8.69 volume   4.88e+06 { 1953 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 31 and name HN))  6.0 0.1 0.1
    peak 1954  ppm1  1.80 ppm2  8.69 volume   5.38e+06 { 1954 }
assi (((resi 76 and name HB1))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 1955  ppm1  2.24 ppm2  0.39 volume   5.13e+07 { 1955 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 1956  ppm1  1.79 ppm2  0.39 volume   2.47e+07 { 1956 }
assi (((resi 76 and name HB1))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1957  ppm1  2.27 ppm2  4.43 volume   5.91e+06 { 1957 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1958  ppm1  1.81 ppm2  4.44 volume   7.33e+06 { 1958 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HB1))  6.0 0.1 0.1
    peak 1959  ppm1  1.80 ppm2  2.25 volume   2.01e+08 { 1959 }
assi (((resi 76 and name HB1))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HB2))  6.0 0.1 0.1
    peak 1960  ppm1  2.26 ppm2  1.80 volume   2.63e+08 { 1960 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HD1))  6.0 0.1 0.1
    peak 1961  ppm1  1.79 ppm2  7.07 volume   4.09e+06 { 1961 }
assi (((resi 76 and name HB1))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HE3))  6.0 0.1 0.1
    peak 1962  ppm1  2.25 ppm2  7.33 volume   6.53e+06 { 1962 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HE3))  6.0 0.1 0.1
    peak 1963  ppm1  1.79 ppm2  7.33 volume   6.56e+06 { 1963 }
assi (((resi 76 and name HB1))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HN))  6.0 0.1 0.1
    peak 1964  ppm1  2.28 ppm2  9.36 volume   5.09e+06 { 1964 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HN))  6.0 0.1 0.1
    peak 1965  ppm1  1.80 ppm2  9.37 volume   8.56e+06 { 1965 }
assi (((resi 76 and name HB1))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HZ2))  6.0 0.1 0.1
    peak 1966  ppm1  2.25 ppm2  6.82 volume   2.83e+06 { 1966 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 76 and name HZ2))  6.0 0.1 0.1
    peak 1967  ppm1  1.81 ppm2  6.84 volume   3.37e+06 { 1967 }
assi (((resi 76 and name HB1))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 1968  ppm1  2.25 ppm2  1.39 volume   4.56e+07 { 1968 }
assi (((resi 76 and name HB2))
   and bondedto
   ((resi 76 and name CB)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 1969  ppm1  1.79 ppm2  1.38 volume   8.96e+07 { 1969 }
assi (((resi 77 and name HB1))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1970  ppm1  2.15 ppm2  4.45 volume   5.09e+06 { 1970 }
assi (((resi 77 and name HB2))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1971  ppm1  1.60 ppm2  4.47 volume   1.11e+07 { 1971 }
assi (((resi 77 and name HB1))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 1972  ppm1  2.16 ppm2  4.85 volume   8.83e+07 { 1972 }
assi (((resi 77 and name HB2))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 1973  ppm1  1.59 ppm2  4.85 volume   1.10e+07 { 1973 }
assi (((resi 77 and name HB2))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HB1))  6.0 0.1 0.1
    peak 1974  ppm1  1.59 ppm2  2.15 volume   4.25e+08 { 1974 }
assi (((resi 77 and name HB1))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HB2))  6.0 0.1 0.1
    peak 1975  ppm1  2.15 ppm2  1.60 volume   3.77e+08 { 1975 }
assi (((resi 77 and name HB1))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HE#))  6.0 0.1 0.1
    peak 1976  ppm1  2.15 ppm2  2.88 volume   2.01e+07 { 1976 }
assi (((resi 77 and name HB2))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HE#))  6.0 0.1 0.1
    peak 1977  ppm1  1.59 ppm2  2.91 volume   3.55e+07 { 1977 }
assi (((resi 77 and name HB1))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 1978  ppm1  2.16 ppm2  1.36 volume   1.67e+08 { 1978 }
assi (((resi 77 and name HB2))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 1979  ppm1  1.60 ppm2  1.36 volume   2.43e+08 { 1979 }
assi (((resi 77 and name HB1))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HG2))  6.0 0.1 0.1
    peak 1980  ppm1  2.16 ppm2  1.18 volume   1.61e+08 { 1980 }
assi (((resi 77 and name HB2))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HG2))  6.0 0.1 0.1
    peak 1981  ppm1  1.61 ppm2  1.18 volume   1.93e+08 { 1981 }
assi (((resi 77 and name HB1))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HN))  6.0 0.1 0.1
    peak 1982  ppm1  2.15 ppm2  8.69 volume   9.06e+06 { 1982 }
assi (((resi 77 and name HB2))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 77 and name HN))  6.0 0.1 0.1
    peak 1983  ppm1  1.59 ppm2  8.69 volume   8.14e+06 { 1983 }
assi (((resi 77 and name HB1))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 78 and name HN))  6.0 0.1 0.1
    peak 1984  ppm1  2.16 ppm2  9.30 volume   7.66e+06 { 1984 }
assi (((resi 77 and name HB2))
   and bondedto
   ((resi 77 and name CB)))
   ((resi 78 and name HN))  6.0 0.1 0.1
    peak 1985  ppm1  1.58 ppm2  9.29 volume   3.82e+06 { 1985 }
assi (((resi 77 and name HD#))
   and bondedto
   ((resi 77 and name CD)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 1986  ppm1  1.66 ppm2  4.86 volume   3.56e+07 { 1986 }
assi (((resi 77 and name HD#))
   and bondedto
   ((resi 77 and name CD)))
   ((resi 77 and name HB1))  6.0 0.1 0.1
    peak 1987  ppm1  1.70 ppm2  2.15 volume   1.48e+08 { 1987 }
assi (((resi 77 and name HD#))
   and bondedto
   ((resi 77 and name CD)))
   ((resi 77 and name HE#))  6.0 0.1 0.1
    peak 1988  ppm1  1.69 ppm2  2.91 volume   2.33e+08 { 1988 }
assi (((resi 77 and name HE#))
   and bondedto
   ((resi 77 and name CE)))
   ((resi 76 and name HA))  6.0 0.1 0.1
    peak 1989  ppm1  2.90 ppm2  4.44 volume   8.18e+07 { 1989 }
assi (((resi 77 and name HE#))
   and bondedto
   ((resi 77 and name CE)))
   ((resi 77 and name HB1))  6.0 0.1 0.1
    peak 1990  ppm1  2.91 ppm2  2.16 volume   1.22e+08 { 1990 }
assi (((resi 77 and name HE#))
   and bondedto
   ((resi 77 and name CE)))
   ((resi 77 and name HG1))  6.0 0.1 0.1
    peak 1991  ppm1  2.91 ppm2  1.36 volume   6.72e+08 { 1991 }
assi (((resi 77 and name HE#))
   and bondedto
   ((resi 77 and name CE)))
   ((resi 77 and name HG2))  6.0 0.1 0.1
    peak 1992  ppm1  2.91 ppm2  1.19 volume   3.52e+08 { 1992 }
assi (((resi 77 and name HE#))
   and bondedto
   ((resi 77 and name CE)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 1993  ppm1  2.91 ppm2  0.85 volume   6.06e+08 { 1993 }
assi (((resi 77 and name HG1))
   and bondedto
   ((resi 77 and name CG)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 1994  ppm1  1.36 ppm2  4.85 volume   7.59e+06 { 1994 }
assi (((resi 77 and name HG2))
   and bondedto
   ((resi 77 and name CG)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 1995  ppm1  1.18 ppm2  4.85 volume   6.45e+06 { 1995 }
assi (((resi 77 and name HG1))
   and bondedto
   ((resi 77 and name CG)))
   ((resi 77 and name HE#))  6.0 0.1 0.1
    peak 1996  ppm1  1.33 ppm2  2.90 volume   1.27e+07 { 1996 }
assi (((resi 77 and name HG2))
   and bondedto
   ((resi 77 and name CG)))
   ((resi 77 and name HE#))  6.0 0.1 0.1
    peak 1997  ppm1  1.18 ppm2  2.92 volume   1.63e+07 { 1997 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 28 and name HG2#))  6.0 0.1 0.1
    peak 1998  ppm1  4.12 ppm2  0.94 volume   2.95e+07 { 1998 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 48 and name HA))  6.0 0.1 0.1
    peak 1999  ppm1  4.12 ppm2  4.97 volume   1.93e+07 { 1999 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 2000  ppm1  4.12 ppm2  0.38 volume   1.04e+07 { 2000 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 2001  ppm1  4.12 ppm2  9.04 volume   7.12e+06 { 2001 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 78 and name HB))  6.0 0.1 0.1
    peak 2002  ppm1  4.13 ppm2  2.58 volume   5.90e+06 { 2002 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 78 and name HG2#))  6.0 0.1 0.1
    peak 2003  ppm1  4.12 ppm2  1.39 volume   2.50e+07 { 2003 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 78 and name HN))  6.0 0.1 0.1
    peak 2004  ppm1  4.13 ppm2  9.29 volume   7.91e+06 { 2004 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 79 and name HB2))  6.0 0.1 0.1
    peak 2005  ppm1  4.12 ppm2  1.70 volume   9.09e+06 { 2005 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2006  ppm1  4.12 ppm2  8.72 volume   3.02e+07 { 2006 }
assi (((resi 78 and name HA))
   and bondedto
   ((resi 78 and name CA)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2007  ppm1  4.12 ppm2  8.04 volume   1.04e+07 { 2007 }
assi (((resi 78 and name HB))
   and bondedto
   ((resi 78 and name CB)))
   ((resi 28 and name HA))  6.0 0.1 0.1
    peak 2008  ppm1  2.57 ppm2  3.67 volume   1.32e+07 { 2008 }
assi (((resi 78 and name HB))
   and bondedto
   ((resi 78 and name CB)))
   ((resi 28 and name HG1#))  6.0 0.1 0.1
    peak 2009  ppm1  2.56 ppm2  1.15 volume   7.40e+06 { 2009 }
assi (((resi 78 and name HB))
   and bondedto
   ((resi 78 and name CB)))
   ((resi 29 and name HN))  6.0 0.1 0.1
    peak 2010  ppm1  2.56 ppm2  7.85 volume   1.59e+07 { 2010 }
assi (((resi 78 and name HB))
   and bondedto
   ((resi 78 and name CB)))
   ((resi 78 and name HG1#))  6.0 0.1 0.1
    peak 2011  ppm1  2.57 ppm2  0.96 volume   1.89e+07 { 2011 }
assi (((resi 78 and name HB))
   and bondedto
   ((resi 78 and name CB)))
   ((resi 78 and name HG2#))  6.0 0.1 0.1
    peak 2012  ppm1  2.57 ppm2  1.40 volume   1.63e+07 { 2012 }
assi (((resi 78 and name HB))
   and bondedto
   ((resi 78 and name CB)))
   ((resi 78 and name HN))  6.0 0.1 0.1
    peak 2013  ppm1  2.57 ppm2  9.29 volume   1.09e+07 { 2013 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 28 and name HA))  6.0 0.1 0.1
    peak 2014  ppm1  0.98 ppm2  3.67 volume   3.32e+07 { 2014 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 2015  ppm1  0.98 ppm2  8.05 volume   2.44e+07 { 2015 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 29 and name HN))  6.0 0.1 0.1
    peak 2016  ppm1  0.98 ppm2  7.85 volume   1.62e+07 { 2016 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 2017  ppm1  0.98 ppm2  7.32 volume   1.17e+07 { 2017 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 48 and name HA))  6.0 0.1 0.1
    peak 2018  ppm1  0.98 ppm2  4.97 volume   1.32e+07 { 2018 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 2019  ppm1  0.98 ppm2  0.40 volume   1.69e+07 { 2019 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 78 and name HA))  6.0 0.1 0.1
    peak 2020  ppm1  0.98 ppm2  4.11 volume   5.65e+07 { 2020 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 78 and name HB))  6.0 0.1 0.1
    peak 2021  ppm1  0.98 ppm2  2.56 volume   2.08e+08 { 2021 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 78 and name HG2#))  6.0 0.1 0.1
    peak 2022  ppm1  0.98 ppm2  1.38 volume   6.82e+08 { 2022 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 78 and name HN))  6.0 0.1 0.1
    peak 2023  ppm1  0.98 ppm2  9.29 volume   7.99e+06 { 2023 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2024  ppm1  0.98 ppm2  8.72 volume   1.51e+07 { 2024 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 80 and name HB2))  6.0 0.1 0.1
    peak 2025  ppm1  0.98 ppm2  2.11 volume   1.59e+08 { 2025 }
assi (((resi 78 and name HG1#))
   and bondedto
   ((resi 78 and name CG1)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2026  ppm1  0.98 ppm2  8.41 volume   2.47e+07 { 2026 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 26 and name HG1))  6.0 0.1 0.1
    peak 2027  ppm1  1.40 ppm2  1.77 volume   1.08e+08 { 2027 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 28 and name HA))  6.0 0.1 0.1
    peak 2028  ppm1  1.40 ppm2  3.67 volume   8.65e+06 { 2028 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 29 and name HN))  6.0 0.1 0.1
    peak 2029  ppm1  1.40 ppm2  7.85 volume   1.15e+07 { 2029 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 30 and name HG2))  6.0 0.1 0.1
    peak 2030  ppm1  1.40 ppm2  2.25 volume   6.79e+07 { 2030 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 31 and name HE#))  6.0 0.1 0.1
    peak 2031  ppm1  1.40 ppm2  6.83 volume   2.96e+07 { 2031 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 31 and name HZ))  6.0 0.1 0.1
    peak 2032  ppm1  1.40 ppm2  6.71 volume   1.67e+07 { 2032 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 2033  ppm1  1.40 ppm2  7.33 volume   2.78e+07 { 2033 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 2034  ppm1  1.40 ppm2  0.39 volume   2.50e+07 { 2034 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 76 and name HZ3))  6.0 0.1 0.1
    peak 2035  ppm1  1.40 ppm2  7.11 volume   5.76e+06 { 2035 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 77 and name HA))  6.0 0.1 0.1
    peak 2036  ppm1  1.41 ppm2  4.85 volume   9.73e+06 { 2036 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 78 and name HA))  6.0 0.1 0.1
    peak 2037  ppm1  1.40 ppm2  4.12 volume   3.22e+07 { 2037 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 78 and name HB))  6.0 0.1 0.1
    peak 2038  ppm1  1.40 ppm2  2.56 volume   3.86e+07 { 2038 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 78 and name HG1#))  6.0 0.1 0.1
    peak 2039  ppm1  1.40 ppm2  0.96 volume   6.31e+08 { 2039 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 78 and name HN))  6.0 0.1 0.1
    peak 2040  ppm1  1.40 ppm2  9.29 volume   3.14e+07 { 2040 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2041  ppm1  1.40 ppm2  8.71 volume   1.23e+07 { 2041 }
assi (((resi 78 and name HG2#))
   and bondedto
   ((resi 78 and name CG2)))
   ((resi 82 and name HB))  6.0 0.1 0.1
    peak 2042  ppm1  1.40 ppm2  2.13 volume   5.79e+07 { 2042 }
assi (((resi 79 and name HA))
   and bondedto
   ((resi 79 and name CA)))
   ((resi 79 and name HB1))  6.0 0.1 0.1
    peak 2043  ppm1  4.41 ppm2  1.51 volume   3.30e+08 { 2043 }
assi (((resi 79 and name HA))
   and bondedto
   ((resi 79 and name CA)))
   ((resi 79 and name HB2))  6.0 0.1 0.1
    peak 2044  ppm1  4.41 ppm2  1.71 volume   5.93e+08 { 2044 }
assi (((resi 79 and name HA))
   and bondedto
   ((resi 79 and name CA)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 2045  ppm1  4.41 ppm2  0.86 volume   7.26e+08 { 2045 }
assi (((resi 79 and name HA))
   and bondedto
   ((resi 79 and name CA)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2046  ppm1  4.41 ppm2  8.70 volume   1.55e+07 { 2046 }
assi (((resi 79 and name HA))
   and bondedto
   ((resi 79 and name CA)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2047  ppm1  4.41 ppm2  8.04 volume   9.67e+06 { 2047 }
assi (((resi 79 and name HB1))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 79 and name HA))  6.0 0.1 0.1
    peak 2048  ppm1  1.50 ppm2  4.41 volume   9.95e+06 { 2048 }
assi (((resi 79 and name HB2))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 79 and name HA))  6.0 0.1 0.1
    peak 2049  ppm1  1.70 ppm2  4.41 volume   1.49e+07 { 2049 }
assi (((resi 79 and name HB2))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 79 and name HB1))  6.0 0.1 0.1
    peak 2050  ppm1  1.70 ppm2  1.50 volume   3.69e+08 { 2050 }
assi (((resi 79 and name HB1))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 79 and name HB2))  6.0 0.1 0.1
    peak 2051  ppm1  1.49 ppm2  1.72 volume   3.70e+08 { 2051 }
assi (((resi 79 and name HB1))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 2052  ppm1  1.49 ppm2  0.87 volume   4.02e+08 { 2052 }
assi (((resi 79 and name HB2))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 2053  ppm1  1.70 ppm2  0.87 volume   3.98e+08 { 2053 }
assi (((resi 79 and name HB1))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2054  ppm1  1.48 ppm2  8.71 volume   8.20e+06 { 2054 }
assi (((resi 79 and name HB2))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2055  ppm1  1.71 ppm2  8.72 volume   8.00e+06 { 2055 }
assi (((resi 79 and name HB1))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 80 and name HB2))  6.0 0.1 0.1
    peak 2056  ppm1  1.50 ppm2  2.14 volume   5.66e+07 { 2056 }
assi (((resi 79 and name HB2))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 80 and name HB2))  6.0 0.1 0.1
    peak 2057  ppm1  1.71 ppm2  2.15 volume   4.72e+07 { 2057 }
assi (((resi 79 and name HB1))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2058  ppm1  1.49 ppm2  8.04 volume   6.62e+06 { 2058 }
assi (((resi 79 and name HB2))
   and bondedto
   ((resi 79 and name CB)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2059  ppm1  1.72 ppm2  8.05 volume   6.13e+06 { 2059 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 47 and name HE#))  6.0 0.1 0.1
    peak 2060  ppm1  0.89 ppm2  2.84 volume   2.56e+07 { 2060 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 47 and name HG1))  6.0 0.1 0.1
    peak 2061  ppm1  0.89 ppm2  1.22 volume   2.48e+08 { 2061 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 48 and name HA))  6.0 0.1 0.1
    peak 2062  ppm1  0.88 ppm2  4.97 volume   7.93e+06 { 2062 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 49 and name HA))  6.0 0.1 0.1
    peak 2063  ppm1  0.89 ppm2  5.15 volume   5.82e+06 { 2063 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 49 and name HG2))  6.0 0.1 0.1
    peak 2064  ppm1  0.89 ppm2  1.99 volume   2.46e+08 { 2064 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 2065  ppm1  0.88 ppm2  9.04 volume   1.18e+07 { 2065 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 77 and name HB1))  6.0 0.1 0.1
    peak 2066  ppm1  0.89 ppm2  2.16 volume   1.66e+08 { 2066 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 79 and name HA))  6.0 0.1 0.1
    peak 2067  ppm1  0.89 ppm2  4.41 volume   1.66e+07 { 2067 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 79 and name HB1))  6.0 0.1 0.1
    peak 2068  ppm1  0.88 ppm2  1.50 volume   4.12e+08 { 2068 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 79 and name HB2))  6.0 0.1 0.1
    peak 2069  ppm1  0.89 ppm2  1.72 volume   5.74e+08 { 2069 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2070  ppm1  0.89 ppm2  8.72 volume   1.26e+07 { 2070 }
assi (((resi 79 and name HD1#))
   and bondedto
   ((resi 79 and name CD1)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2071  ppm1  0.88 ppm2  8.04 volume   5.84e+06 { 2071 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 48 and name HA))  6.0 0.1 0.1
    peak 2072  ppm1  0.85 ppm2  4.97 volume   7.51e+06 { 2072 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 49 and name HG2))  6.0 0.1 0.1
    peak 2073  ppm1  0.85 ppm2  1.98 volume   1.45e+08 { 2073 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 2074  ppm1  0.85 ppm2  9.04 volume   6.27e+06 { 2074 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 77 and name HE#))  6.0 0.1 0.1
    peak 2075  ppm1  0.85 ppm2  2.91 volume   5.51e+07 { 2075 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 77 and name HG2))  6.0 0.1 0.1
    peak 2076  ppm1  0.85 ppm2  1.17 volume   2.73e+08 { 2076 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 78 and name HA))  6.0 0.1 0.1
    peak 2077  ppm1  0.85 ppm2  4.13 volume   2.63e+07 { 2077 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 79 and name HA))  6.0 0.1 0.1
    peak 2078  ppm1  0.86 ppm2  4.41 volume   1.22e+08 { 2078 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 79 and name HB1))  6.0 0.1 0.1
    peak 2079  ppm1  0.85 ppm2  1.49 volume   4.53e+08 { 2079 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 79 and name HB2))  6.0 0.1 0.1
    peak 2080  ppm1  0.85 ppm2  1.72 volume   8.72e+08 { 2080 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2081  ppm1  0.85 ppm2  8.71 volume   1.86e+07 { 2081 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 80 and name HB2))  6.0 0.1 0.1
    peak 2082  ppm1  0.86 ppm2  2.15 volume   1.53e+08 { 2082 }
assi (((resi 79 and name HD2#))
   and bondedto
   ((resi 79 and name CD2)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2083  ppm1  0.86 ppm2  8.04 volume   9.35e+06 { 2083 }
assi (((resi 79 and name HG))
   and bondedto
   ((resi 79 and name CG)))
   ((resi 49 and name HN))  6.0 0.1 0.1
    peak 2084  ppm1  1.76 ppm2  9.03 volume   4.46e+07 { 2084 }
assi (((resi 79 and name HG))
   and bondedto
   ((resi 79 and name CG)))
   ((resi 79 and name HA))  6.0 0.1 0.1
    peak 2085  ppm1  1.77 ppm2  4.41 volume   1.17e+07 { 2085 }
assi (((resi 79 and name HG))
   and bondedto
   ((resi 79 and name CG)))
   ((resi 79 and name HD2#))  6.0 0.1 0.1
    peak 2086  ppm1  1.78 ppm2  0.89 volume   4.44e+08 { 2086 }
assi (((resi 79 and name HG))
   and bondedto
   ((resi 79 and name CG)))
   ((resi 79 and name HN))  6.0 0.1 0.1
    peak 2087  ppm1  1.77 ppm2  8.69 volume   1.09e+07 { 2087 }
assi (((resi 79 and name HG))
   and bondedto
   ((resi 79 and name CG)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2088  ppm1  1.77 ppm2  8.05 volume   5.35e+06 { 2088 }
assi (((resi 80 and name HB1))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 46 and name HA1))  6.0 0.1 0.1
    peak 2089  ppm1  1.67 ppm2  4.55 volume   4.54e+07 { 2089 }
assi (((resi 80 and name HB1))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 46 and name HA2))  6.0 0.1 0.1
    peak 2090  ppm1  1.68 ppm2  3.46 volume   7.63e+06 { 2090 }
assi (((resi 80 and name HB2))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 46 and name HA2))  6.0 0.1 0.1
    peak 2091  ppm1  2.11 ppm2  3.46 volume   5.89e+06 { 2091 }
assi (((resi 80 and name HB1))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 2092  ppm1  1.68 ppm2  7.33 volume   1.00e+07 { 2092 }
assi (((resi 80 and name HB2))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 2093  ppm1  2.13 ppm2  7.33 volume   7.38e+06 { 2093 }
assi (((resi 80 and name HB1))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 80 and name HA))  6.0 0.1 0.1
    peak 2094  ppm1  1.67 ppm2  4.65 volume   1.05e+08 { 2094 }
assi (((resi 80 and name HB2))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 80 and name HB1))  6.0 0.1 0.1
    peak 2095  ppm1  2.12 ppm2  1.67 volume   3.03e+08 { 2095 }
assi (((resi 80 and name HB1))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 80 and name HB2))  6.0 0.1 0.1
    peak 2096  ppm1  1.68 ppm2  2.13 volume   5.34e+08 { 2096 }
assi (((resi 80 and name HB1))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 80 and name HG2))  6.0 0.1 0.1
    peak 2097  ppm1  1.67 ppm2  2.36 volume   1.90e+08 { 2097 }
assi (((resi 80 and name HB2))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 80 and name HG2))  6.0 0.1 0.1
    peak 2098  ppm1  2.12 ppm2  2.37 volume   2.55e+08 { 2098 }
assi (((resi 80 and name HB1))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2099  ppm1  1.67 ppm2  8.04 volume   8.14e+06 { 2099 }
assi (((resi 80 and name HB2))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2100  ppm1  2.12 ppm2  8.05 volume   5.02e+06 { 2100 }
assi (((resi 80 and name HB1))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2101  ppm1  1.67 ppm2  3.71 volume   5.57e+06 { 2101 }
assi (((resi 80 and name HB2))
   and bondedto
   ((resi 80 and name CB)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2102  ppm1  2.12 ppm2  3.71 volume   7.91e+07 { 2102 }
assi (((resi 80 and name HG2))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 79 and name HD1#))  6.0 0.1 0.1
    peak 2103  ppm1  2.37 ppm2  0.91 volume   6.65e+07 { 2103 }
assi (((resi 80 and name HG1))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HA))  6.0 0.1 0.1
    peak 2104  ppm1  2.17 ppm2  4.64 volume   1.01e+08 { 2104 }
assi (((resi 80 and name HG1))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HA))  6.0 0.1 0.1
    peak 2105  ppm1  2.17 ppm2  4.66 volume   8.51e+07 { 2105 }
assi (((resi 80 and name HG2))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HA))  6.0 0.1 0.1
    peak 2106  ppm1  2.38 ppm2  4.69 volume   1.26e+08 { 2106 }
assi (((resi 80 and name HG2))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HA))  6.0 0.1 0.1
    peak 2107  ppm1  2.37 ppm2  4.64 volume   1.19e+08 { 2107 }
assi (((resi 80 and name HG2))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HB1))  6.0 0.1 0.1
    peak 2108  ppm1  2.37 ppm2  1.67 volume   3.16e+08 { 2108 }
assi (((resi 80 and name HG2))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HG1))  6.0 0.1 0.1
    peak 2109  ppm1  2.37 ppm2  2.19 volume   3.26e+09 { 2109 }
assi (((resi 80 and name HG1))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HG2))  6.0 0.1 0.1
    peak 2110  ppm1  2.20 ppm2  2.37 volume   1.29e+09 { 2110 }
assi (((resi 80 and name HG1))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2111  ppm1  2.20 ppm2  8.02 volume   2.10e+07 { 2111 }
assi (((resi 80 and name HG2))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2112  ppm1  2.37 ppm2  8.03 volume   1.98e+07 { 2112 }
assi (((resi 80 and name HG1))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2113  ppm1  2.16 ppm2  3.71 volume   7.94e+06 { 2113 }
assi (((resi 80 and name HG2))
   and bondedto
   ((resi 80 and name CG)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2114  ppm1  2.37 ppm2  3.72 volume   1.03e+07 { 2114 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 28 and name HG2#))  6.0 0.1 0.1
    peak 2115  ppm1  4.11 ppm2  0.96 volume   3.46e+07 { 2115 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 2116  ppm1  4.11 ppm2  8.07 volume   6.37e+06 { 2116 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 81 and name HB1))  6.0 0.1 0.1
    peak 2117  ppm1  4.11 ppm2  2.28 volume   3.57e+07 { 2117 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 81 and name HB2))  6.0 0.1 0.1
    peak 2118  ppm1  4.11 ppm2  1.92 volume   2.28e+07 { 2118 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2119  ppm1  4.11 ppm2  3.71 volume   8.01e+07 { 2119 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 81 and name HG2))  6.0 0.1 0.1
    peak 2120  ppm1  4.11 ppm2  2.09 volume   2.04e+07 { 2120 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 82 and name HA))  6.0 0.1 0.1
    peak 2121  ppm1  4.11 ppm2  5.26 volume   4.23e+06 { 2121 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 82 and name HG2#))  6.0 0.1 0.1
    peak 2122  ppm1  4.10 ppm2  1.33 volume   1.06e+07 { 2122 }
assi (((resi 81 and name HA))
   and bondedto
   ((resi 81 and name CA)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2123  ppm1  4.11 ppm2  8.41 volume   6.37e+07 { 2123 }
assi (((resi 81 and name HB1))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 27 and name HA))  6.0 0.1 0.1
    peak 2124  ppm1  2.29 ppm2  4.20 volume   1.98e+08 { 2124 }
assi (((resi 81 and name HB1))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 28 and name HG2#))  6.0 0.1 0.1
    peak 2125  ppm1  2.29 ppm2  0.95 volume   9.99e+07 { 2125 }
assi (((resi 81 and name HB1))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 81 and name HA))  6.0 0.1 0.1
    peak 2126  ppm1  2.30 ppm2  4.11 volume   2.73e+08 { 2126 }
assi (((resi 81 and name HB2))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 81 and name HA))  6.0 0.1 0.1
    peak 2127  ppm1  1.89 ppm2  4.10 volume   1.85e+08 { 2127 }
assi (((resi 81 and name HB1))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 81 and name HB2))  6.0 0.1 0.1
    peak 2128  ppm1  2.30 ppm2  1.92 volume   8.19e+08 { 2128 }
assi (((resi 81 and name HB1))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2129  ppm1  2.29 ppm2  3.70 volume   1.18e+08 { 2129 }
assi (((resi 81 and name HB2))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2130  ppm1  1.90 ppm2  3.71 volume   2.20e+08 { 2130 }
assi (((resi 81 and name HB1))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2131  ppm1  2.29 ppm2  8.41 volume   9.08e+07 { 2131 }
assi (((resi 81 and name HB2))
   and bondedto
   ((resi 81 and name CB)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2132  ppm1  1.91 ppm2  8.41 volume   3.10e+07 { 2132 }
assi (((resi 81 and name HD#))
   and bondedto
   ((resi 81 and name CD)))
   ((resi 28 and name HG2#))  6.0 0.1 0.1
    peak 2133  ppm1  3.71 ppm2  0.92 volume   3.31e+07 { 2133 }
assi (((resi 81 and name HD#))
   and bondedto
   ((resi 81 and name CD)))
   ((resi 80 and name HN))  6.0 0.1 0.1
    peak 2134  ppm1  3.71 ppm2  8.06 volume   4.84e+06 { 2134 }
assi (((resi 81 and name HG1))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 2135  ppm1  2.23 ppm2  8.04 volume   4.48e+06 { 2135 }
assi (((resi 81 and name HG2))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 28 and name HN))  6.0 0.1 0.1
    peak 2136  ppm1  2.05 ppm2  8.05 volume   2.98e+06 { 2136 }
assi (((resi 81 and name HG1))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 80 and name HA))  6.0 0.1 0.1
    peak 2137  ppm1  2.23 ppm2  4.67 volume   1.25e+07 { 2137 }
assi (((resi 81 and name HG1))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 81 and name HA))  6.0 0.1 0.1
    peak 2138  ppm1  2.23 ppm2  4.12 volume   2.01e+07 { 2138 }
assi (((resi 81 and name HG2))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 81 and name HA))  6.0 0.1 0.1
    peak 2139  ppm1  2.05 ppm2  4.13 volume   2.17e+07 { 2139 }
assi (((resi 81 and name HG1))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 81 and name HB2))  6.0 0.1 0.1
    peak 2140  ppm1  2.23 ppm2  1.91 volume   7.34e+08 { 2140 }
assi (((resi 81 and name HG2))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 81 and name HB2))  6.0 0.1 0.1
    peak 2141  ppm1  2.05 ppm2  1.93 volume   8.21e+08 { 2141 }
assi (((resi 81 and name HG1))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2142  ppm1  2.21 ppm2  3.70 volume   3.53e+07 { 2142 }
assi (((resi 81 and name HG2))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 81 and name HD#))  6.0 0.1 0.1
    peak 2143  ppm1  2.06 ppm2  3.71 volume   2.57e+07 { 2143 }
assi (((resi 81 and name HG2))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 81 and name HG1))  6.0 0.1 0.1
    peak 2144  ppm1  2.06 ppm2  2.23 volume   1.25e+09 { 2144 }
assi (((resi 81 and name HG1))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 81 and name HG2))  6.0 0.1 0.1
    peak 2145  ppm1  2.23 ppm2  2.05 volume   1.37e+09 { 2145 }
assi (((resi 81 and name HG1))
   and bondedto
   ((resi 81 and name CG)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2146  ppm1  2.23 ppm2  8.42 volume   4.24e+06 { 2146 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 45 and name HB2))  6.0 0.1 0.1
    peak 2147  ppm1  5.24 ppm2  1.94 volume   3.63e+07 { 2147 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 45 and name HG#))  6.0 0.1 0.1
    peak 2148  ppm1  5.24 ppm2  2.25 volume   4.18e+07 { 2148 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 46 and name HA2))  6.0 0.1 0.1
    peak 2149  ppm1  5.24 ppm2  3.46 volume   1.60e+07 { 2149 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 2150  ppm1  5.23 ppm2  8.65 volume   4.03e+06 { 2150 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 2151  ppm1  5.25 ppm2  7.32 volume   6.59e+06 { 2151 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 82 and name HB))  6.0 0.1 0.1
    peak 2152  ppm1  5.24 ppm2  2.12 volume   2.55e+07 { 2152 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 82 and name HG2#))  6.0 0.1 0.1
    peak 2153  ppm1  5.24 ppm2  1.35 volume   3.23e+07 { 2153 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2154  ppm1  5.24 ppm2  8.39 volume   9.55e+06 { 2154 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 83 and name HB2))  6.0 0.1 0.1
    peak 2155  ppm1  5.24 ppm2  1.66 volume   7.44e+06 { 2155 }
assi (((resi 82 and name HA))
   and bondedto
   ((resi 82 and name CA)))
   ((resi 83 and name HN))  6.0 0.1 0.1
    peak 2156  ppm1  5.24 ppm2  8.26 volume   5.14e+07 { 2156 }
assi (((resi 82 and name HB))
   and bondedto
   ((resi 82 and name CB)))
   ((resi 28 and name HG2#))  6.0 0.1 0.1
    peak 2157  ppm1  2.13 ppm2  0.92 volume   1.66e+08 { 2157 }
assi (((resi 82 and name HB))
   and bondedto
   ((resi 82 and name CB)))
   ((resi 46 and name HA1))  6.0 0.1 0.1
    peak 2158  ppm1  2.12 ppm2  4.55 volume   6.75e+07 { 2158 }
assi (((resi 82 and name HB))
   and bondedto
   ((resi 82 and name CB)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 2159  ppm1  2.13 ppm2  7.33 volume   6.20e+06 { 2159 }
assi (((resi 82 and name HB))
   and bondedto
   ((resi 82 and name CB)))
   ((resi 81 and name HA))  6.0 0.1 0.1
    peak 2160  ppm1  2.12 ppm2  4.11 volume   4.84e+07 { 2160 }
assi (((resi 82 and name HB))
   and bondedto
   ((resi 82 and name CB)))
   ((resi 82 and name HA))  6.0 0.1 0.1
    peak 2161  ppm1  2.13 ppm2  5.25 volume   1.75e+07 { 2161 }
assi (((resi 82 and name HB))
   and bondedto
   ((resi 82 and name CB)))
   ((resi 82 and name HG2#))  6.0 0.1 0.1
    peak 2162  ppm1  2.13 ppm2  1.35 volume   3.73e+08 { 2162 }
assi (((resi 82 and name HB))
   and bondedto
   ((resi 82 and name CB)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2163  ppm1  2.12 ppm2  8.40 volume   1.69e+07 { 2163 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 24 and name HE3))  6.0 0.1 0.1
    peak 2164  ppm1  1.36 ppm2  6.65 volume   4.95e+06 { 2164 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 24 and name HZ3))  6.0 0.1 0.1
    peak 2165  ppm1  1.36 ppm2  6.93 volume   7.95e+06 { 2165 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 28 and name HG2#))  6.0 0.1 0.1
    peak 2166  ppm1  1.36 ppm2  0.91 volume   4.52e+08 { 2166 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 2167  ppm1  1.36 ppm2  0.69 volume   1.73e+08 { 2167 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 2168  ppm1  1.36 ppm2  0.56 volume   2.11e+08 { 2168 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 46 and name HA1))  6.0 0.1 0.1
    peak 2169  ppm1  1.36 ppm2  4.55 volume   2.20e+07 { 2169 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 46 and name HA2))  6.0 0.1 0.1
    peak 2170  ppm1  1.36 ppm2  3.45 volume   1.15e+07 { 2170 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 46 and name HN))  6.0 0.1 0.1
    peak 2171  ppm1  1.36 ppm2  8.63 volume   5.49e+06 { 2171 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 2172  ppm1  1.36 ppm2  7.33 volume   2.08e+07 { 2172 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 48 and name HG1#))  6.0 0.1 0.1
    peak 2173  ppm1  1.36 ppm2  0.40 volume   7.11e+07 { 2173 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 81 and name HA))  6.0 0.1 0.1
    peak 2174  ppm1  1.36 ppm2  4.10 volume   8.76e+06 { 2174 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 82 and name HA))  6.0 0.1 0.1
    peak 2175  ppm1  1.36 ppm2  5.25 volume   4.80e+07 { 2175 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 82 and name HB))  6.0 0.1 0.1
    peak 2176  ppm1  1.36 ppm2  2.12 volume   2.40e+08 { 2176 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2177  ppm1  1.36 ppm2  8.39 volume   1.46e+07 { 2177 }
assi (((resi 82 and name HG1#))
   and bondedto
   ((resi 82 and name CG1)))
   ((resi 83 and name HN))  6.0 0.1 0.1
    peak 2178  ppm1  1.36 ppm2  8.25 volume   3.94e+07 { 2178 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 24 and name HE3))  6.0 0.1 0.1
    peak 2179  ppm1  1.32 ppm2  6.65 volume   2.49e+07 { 2179 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 24 and name HH2))  6.0 0.1 0.1
    peak 2180  ppm1  1.32 ppm2  7.06 volume   1.22e+07 { 2180 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 24 and name HZ3))  6.0 0.1 0.1
    peak 2181  ppm1  1.32 ppm2  6.93 volume   9.24e+06 { 2181 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 26 and name HB2))  6.0 0.1 0.1
    peak 2182  ppm1  1.32 ppm2  0.20 volume   1.06e+07 { 2182 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 26 and name HN))  6.0 0.1 0.1
    peak 2183  ppm1  1.32 ppm2  8.17 volume   1.99e+07 { 2183 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 2184  ppm1  1.32 ppm2  0.69 volume   5.31e+07 { 2184 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 43 and name HG2#))  6.0 0.1 0.1
    peak 2185  ppm1  1.32 ppm2  0.56 volume   3.32e+07 { 2185 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 47 and name HN))  6.0 0.1 0.1
    peak 2186  ppm1  1.32 ppm2  7.33 volume   7.28e+06 { 2186 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 78 and name HG1#))  6.0 0.1 0.1
    peak 2187  ppm1  1.32 ppm2  0.94 volume   3.32e+08 { 2187 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 81 and name HA))  6.0 0.1 0.1
    peak 2188  ppm1  1.32 ppm2  4.11 volume   1.25e+07 { 2188 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 82 and name HA))  6.0 0.1 0.1
    peak 2189  ppm1  1.32 ppm2  5.26 volume   2.99e+07 { 2189 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 82 and name HB))  6.0 0.1 0.1
    peak 2190  ppm1  1.32 ppm2  2.12 volume   2.31e+08 { 2190 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 82 and name HN))  6.0 0.1 0.1
    peak 2191  ppm1  1.32 ppm2  8.40 volume   3.69e+07 { 2191 }
assi (((resi 82 and name HG2#))
   and bondedto
   ((resi 82 and name CG2)))
   ((resi 83 and name HB1))  6.0 0.1 0.1
    peak 2192  ppm1  1.32 ppm2  1.75 volume   1.42e+08 { 2192 }
assi (((resi 83 and name HA))
   and bondedto
   ((resi 83 and name CA)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 2193  ppm1  5.28 ppm2  0.76 volume   4.71e+06 { 2193 }
assi (((resi 83 and name HA))
   and bondedto
   ((resi 83 and name CA)))
   ((resi 82 and name HG1#))  6.0 0.1 0.1
    peak 2194  ppm1  5.28 ppm2  1.35 volume   7.60e+06 { 2194 }
assi (((resi 83 and name HA))
   and bondedto
   ((resi 83 and name CA)))
   ((resi 84 and name HN))  6.0 0.1 0.1
    peak 2195  ppm1  5.28 ppm2  9.80 volume   2.81e+06 { 2195 }
assi (((resi 83 and name HB1))
   and bondedto
   ((resi 83 and name CB)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 2196  ppm1  1.73 ppm2  0.77 volume   1.15e+08 { 2196 }
assi (((resi 83 and name HB2))
   and bondedto
   ((resi 83 and name CB)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 2197  ppm1  1.65 ppm2  0.77 volume   1.07e+08 { 2197 }
assi (((resi 83 and name HB1))
   and bondedto
   ((resi 83 and name CB)))
   ((resi 83 and name HA))  6.0 0.1 0.1
    peak 2198  ppm1  1.72 ppm2  5.27 volume   1.32e+07 { 2198 }
assi (((resi 83 and name HB2))
   and bondedto
   ((resi 83 and name CB)))
   ((resi 83 and name HA))  6.0 0.1 0.1
    peak 2199  ppm1  1.65 ppm2  5.27 volume   1.12e+07 { 2199 }
assi (((resi 83 and name HB1))
   and bondedto
   ((resi 83 and name CB)))
   ((resi 83 and name HD1))  6.0 0.1 0.1
    peak 2200  ppm1  1.72 ppm2  3.16 volume   8.17e+06 { 2200 }
assi (((resi 83 and name HB2))
   and bondedto
   ((resi 83 and name CB)))
   ((resi 83 and name HD1))  6.0 0.1 0.1
    peak 2201  ppm1  1.65 ppm2  3.15 volume   8.57e+06 { 2201 }
assi (((resi 83 and name HB1))
   and bondedto
   ((resi 83 and name CB)))
   ((resi 83 and name HN))  6.0 0.1 0.1
    peak 2202  ppm1  1.73 ppm2  8.26 volume   4.11e+06 { 2202 }
assi (((resi 83 and name HB2))
   and bondedto
   ((resi 83 and name CB)))
   ((resi 83 and name HN))  6.0 0.1 0.1
    peak 2203  ppm1  1.66 ppm2  8.26 volume   5.82e+06 { 2203 }
assi (((resi 83 and name HD1))
   and bondedto
   ((resi 83 and name CD)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 2204  ppm1  3.12 ppm2  0.78 volume   1.08e+07 { 2204 }
assi (((resi 83 and name HD2))
   and bondedto
   ((resi 83 and name CD)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 2205  ppm1  3.20 ppm2  0.77 volume   1.11e+07 { 2205 }
assi (((resi 83 and name HD2))
   and bondedto
   ((resi 83 and name CD)))
   ((resi 83 and name HA))  6.0 0.1 0.1
    peak 2206  ppm1  3.20 ppm2  5.28 volume   1.08e+07 { 2206 }
assi (((resi 83 and name HG1))
   and bondedto
   ((resi 83 and name CG)))
   ((resi 44 and name HD1#))  6.0 0.1 0.1
    peak 2207  ppm1  1.49 ppm2  0.77 volume   1.07e+08 { 2207 }
assi (((resi 83 and name HG1))
   and bondedto
   ((resi 83 and name CG)))
   ((resi 83 and name HA))  6.0 0.1 0.1
    peak 2208  ppm1  1.49 ppm2  5.27 volume   1.01e+07 { 2208 }
assi (((resi 83 and name HG2))
   and bondedto
   ((resi 83 and name CG)))
   ((resi 83 and name HA))  6.0 0.1 0.1
    peak 2209  ppm1  1.62 ppm2  5.28 volume   9.90e+06 { 2209 }
assi (((resi 83 and name HG1))
   and bondedto
   ((resi 83 and name CG)))
   ((resi 83 and name HD1))  6.0 0.1 0.1
    peak 2210  ppm1  1.49 ppm2  3.16 volume   1.33e+07 { 2210 }
assi (((resi 83 and name HG2))
   and bondedto
   ((resi 83 and name CG)))
   ((resi 83 and name HD1))  6.0 0.1 0.1
    peak 2211  ppm1  1.62 ppm2  3.17 volume   1.44e+07 { 2211 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 43 and name HA))  6.0 0.1 0.1
    peak 2212  ppm1  5.89 ppm2  4.05 volume   1.42e+07 { 2212 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 2213  ppm1  5.89 ppm2  0.72 volume   5.87e+06 { 2213 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 44 and name HD2#))  6.0 0.1 0.1
    peak 2214  ppm1  5.90 ppm2  1.19 volume   2.14e+07 { 2214 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 44 and name HN))  6.0 0.1 0.1
    peak 2215  ppm1  5.88 ppm2  8.62 volume   1.49e+07 { 2215 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 84 and name HB2))  6.0 0.1 0.1
    peak 2216  ppm1  5.88 ppm2  1.74 volume   2.42e+07 { 2216 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 84 and name HG1))  6.0 0.1 0.1
    peak 2217  ppm1  5.88 ppm2  2.11 volume   1.62e+07 { 2217 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 2218  ppm1  5.88 ppm2  1.36 volume   6.81e+06 { 2218 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 84 and name HN))  6.0 0.1 0.1
    peak 2219  ppm1  5.88 ppm2  9.80 volume   4.92e+05 { 2219 }
assi (((resi 84 and name HA))
   and bondedto
   ((resi 84 and name CA)))
   ((resi 85 and name HN))  6.0 0.1 0.1
    peak 2220  ppm1  5.88 ppm2  8.99 volume   2.33e+07 { 2220 }
assi (((resi 84 and name HB1))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 24 and name HB2))  6.0 0.1 0.1
    peak 2221  ppm1  2.12 ppm2  3.16 volume   3.41e+06 { 2221 }
assi (((resi 84 and name HB2))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 24 and name HB2))  6.0 0.1 0.1
    peak 2222  ppm1  1.76 ppm2  3.17 volume   6.06e+06 { 2222 }
assi (((resi 84 and name HB1))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 2223  ppm1  2.12 ppm2  0.70 volume   5.57e+06 { 2223 }
assi (((resi 84 and name HB2))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 43 and name HD1#))  6.0 0.1 0.1
    peak 2224  ppm1  1.75 ppm2  0.69 volume   7.00e+06 { 2224 }
assi (((resi 84 and name HB1))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 84 and name HA))  6.0 0.1 0.1
    peak 2225  ppm1  2.12 ppm2  5.90 volume   5.49e+06 { 2225 }
assi (((resi 84 and name HB2))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 84 and name HA))  6.0 0.1 0.1
    peak 2226  ppm1  1.75 ppm2  5.89 volume   8.01e+06 { 2226 }
assi (((resi 84 and name HB2))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 84 and name HB1))  6.0 0.1 0.1
    peak 2227  ppm1  1.76 ppm2  2.11 volume   1.51e+08 { 2227 }
assi (((resi 84 and name HB1))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 2228  ppm1  2.13 ppm2  1.37 volume   1.29e+08 { 2228 }
assi (((resi 84 and name HB2))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 2229  ppm1  1.76 ppm2  1.37 volume   1.30e+08 { 2229 }
assi (((resi 84 and name HB2))
   and bondedto
   ((resi 84 and name CB)))
   ((resi 85 and name HN))  6.0 0.1 0.1
    peak 2230  ppm1  1.77 ppm2  9.00 volume   4.10e+06 { 2230 }
assi (((resi 84 and name HG1))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 24 and name HB1))  6.0 0.1 0.1
    peak 2231  ppm1  2.10 ppm2  2.71 volume   2.54e+07 { 2231 }
assi (((resi 84 and name HG1))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 24 and name HB2))  6.0 0.1 0.1
    peak 2232  ppm1  2.09 ppm2  3.13 volume   3.99e+07 { 2232 }
assi (((resi 84 and name HG2))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 24 and name HB2))  6.0 0.1 0.1
    peak 2233  ppm1  1.38 ppm2  3.14 volume   2.18e+07 { 2233 }
assi (((resi 84 and name HG2))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 42 and name HB2))  6.0 0.1 0.1
    peak 2234  ppm1  1.36 ppm2  2.69 volume   3.34e+07 { 2234 }
assi (((resi 84 and name HG1))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 84 and name HB2))  6.0 0.1 0.1
    peak 2235  ppm1  2.10 ppm2  1.76 volume   6.49e+07 { 2235 }
assi (((resi 84 and name HG1))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 2236  ppm1  2.10 ppm2  1.35 volume   9.29e+07 { 2236 }
assi (((resi 84 and name HG1))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 84 and name HN))  6.0 0.1 0.1
    peak 2237  ppm1  2.11 ppm2  9.80 volume   7.28e+05 { 2237 }
assi (((resi 84 and name HG1))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 85 and name HD2))  6.0 0.1 0.1
    peak 2238  ppm1  2.09 ppm2  7.07 volume   3.06e+07 { 2238 }
assi (((resi 84 and name HG2))
   and bondedto
   ((resi 84 and name CG)))
   ((resi 85 and name HD2))  6.0 0.1 0.1
    peak 2239  ppm1  1.38 ppm2  7.06 volume   1.30e+07 { 2239 }
assi (((resi 85 and name HA))
   and bondedto
   ((resi 85 and name CA)))
   ((resi 23 and name HA))  6.0 0.1 0.1
    peak 2240  ppm1  6.06 ppm2  5.52 volume   1.68e+07 { 2240 }
assi (((resi 85 and name HA))
   and bondedto
   ((resi 85 and name CA)))
   ((resi 23 and name HD1#))  6.0 0.1 0.1
    peak 2241  ppm1  6.08 ppm2  0.62 volume   5.79e+06 { 2241 }
assi (((resi 85 and name HA))
   and bondedto
   ((resi 85 and name CA)))
   ((resi 23 and name HG2#))  6.0 0.1 0.1
    peak 2242  ppm1  6.07 ppm2  0.78 volume   9.46e+06 { 2242 }
assi (((resi 85 and name HA))
   and bondedto
   ((resi 85 and name CA)))
   ((resi 85 and name HB1))  6.0 0.1 0.1
    peak 2243  ppm1  6.07 ppm2  3.73 volume   1.23e+07 { 2243 }
assi (((resi 85 and name HA))
   and bondedto
   ((resi 85 and name CA)))
   ((resi 85 and name HB2))  6.0 0.1 0.1
    peak 2244  ppm1  6.07 ppm2  3.13 volume   8.52e+06 { 2244 }
assi (((resi 85 and name HA))
   and bondedto
   ((resi 85 and name CA)))
   ((resi 85 and name HN))  6.0 0.1 0.1
    peak 2245  ppm1  6.05 ppm2  8.99 volume   7.89e+06 { 2245 }
assi (((resi 85 and name HA))
   and bondedto
   ((resi 85 and name CA)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 2246  ppm1  6.06 ppm2  6.83 volume   9.15e+06 { 2246 }
assi (((resi 85 and name HA))
   and bondedto
   ((resi 85 and name CA)))
   ((resi 86 and name HN))  6.0 0.1 0.1
    peak 2247  ppm1  6.06 ppm2  9.16 volume   2.88e+07 { 2247 }
assi (((resi 85 and name HB1))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 2248  ppm1  3.73 ppm2 -0.06 volume   4.49e+06 { 2248 }
assi (((resi 85 and name HB2))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 18 and name HG*))  6.0 0.1 0.1
    peak 2249  ppm1  3.12 ppm2 -0.05 volume   7.11e+06 { 2249 }
assi (((resi 85 and name HB1))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 2250  ppm1  3.72 ppm2  6.86 volume   6.58e+06 { 2250 }
assi (((resi 85 and name HB2))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 42 and name HD#))  6.0 0.1 0.1
    peak 2251  ppm1  3.14 ppm2  6.83 volume   5.13e+06 { 2251 }
assi (((resi 85 and name HB1))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 2252  ppm1  3.71 ppm2  6.72 volume   3.40e+06 { 2252 }
assi (((resi 85 and name HB2))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 42 and name HE#))  6.0 0.1 0.1
    peak 2253  ppm1  3.14 ppm2  6.72 volume   4.14e+06 { 2253 }
assi (((resi 85 and name HB1))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 85 and name HA))  6.0 0.1 0.1
    peak 2254  ppm1  3.71 ppm2  6.07 volume   5.25e+06 { 2254 }
assi (((resi 85 and name HB2))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 85 and name HA))  6.0 0.1 0.1
    peak 2255  ppm1  3.14 ppm2  6.06 volume   3.69e+06 { 2255 }
assi (((resi 85 and name HB2))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 85 and name HB1))  6.0 0.1 0.1
    peak 2256  ppm1  3.15 ppm2  3.76 volume   2.30e+07 { 2256 }
assi (((resi 85 and name HB1))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 85 and name HB2))  6.0 0.1 0.1
    peak 2257  ppm1  3.73 ppm2  3.13 volume   1.37e+07 { 2257 }
assi (((resi 85 and name HB1))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 85 and name HD2))  6.0 0.1 0.1
    peak 2258  ppm1  3.72 ppm2  7.09 volume   3.93e+06 { 2258 }
assi (((resi 85 and name HB2))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 85 and name HD2))  6.0 0.1 0.1
    peak 2259  ppm1  3.12 ppm2  7.09 volume   2.96e+06 { 2259 }
assi (((resi 85 and name HB2))
   and bondedto
   ((resi 85 and name CB)))
   ((resi 85 and name HN))  6.0 0.1 0.1
    peak 2260  ppm1  3.14 ppm2  8.99 volume   5.21e+07 { 2260 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 21 and name HE3))  6.0 0.1 0.1
    peak 2261  ppm1  5.97 ppm2  7.11 volume   4.49e+06 { 2261 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 41 and name HA))  6.0 0.1 0.1
    peak 2262  ppm1  5.96 ppm2  6.31 volume   1.49e+07 { 2262 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 41 and name HB1))  6.0 0.1 0.1
    peak 2263  ppm1  5.96 ppm2  3.80 volume   3.85e+07 { 2263 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 42 and name HN))  6.0 0.1 0.1
    peak 2264  ppm1  5.98 ppm2  9.62 volume   6.49e+06 { 2264 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 84 and name HG2))  6.0 0.1 0.1
    peak 2265  ppm1  5.95 ppm2  1.38 volume   4.75e+06 { 2265 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 86 and name HB1))  6.0 0.1 0.1
    peak 2266  ppm1  5.96 ppm2  3.08 volume   1.40e+07 { 2266 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 86 and name HB2))  6.0 0.1 0.1
    peak 2267  ppm1  5.97 ppm2  2.68 volume   1.14e+07 { 2267 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 2268  ppm1  5.95 ppm2  6.83 volume   6.23e+06 { 2268 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 87 and name HN))  6.0 0.1 0.1
    peak 2269  ppm1  5.96 ppm2  8.82 volume   2.08e+07 { 2269 }
assi (((resi 86 and name HA))
   and bondedto
   ((resi 86 and name CA)))
   ((resi 88 and name HG))  6.0 0.1 0.1
    peak 2270  ppm1  5.96 ppm2  1.85 volume   4.31e+06 { 2270 }
assi (((resi 86 and name HB1))
   and bondedto
   ((resi 86 and name CB)))
   ((resi 86 and name HA))  6.0 0.1 0.1
    peak 2271  ppm1  3.07 ppm2  5.97 volume   5.30e+06 { 2271 }
assi (((resi 86 and name HB2))
   and bondedto
   ((resi 86 and name CB)))
   ((resi 86 and name HA))  6.0 0.1 0.1
    peak 2272  ppm1  2.67 ppm2  5.96 volume   5.15e+06 { 2272 }
assi (((resi 86 and name HB2))
   and bondedto
   ((resi 86 and name CB)))
   ((resi 86 and name HB1))  6.0 0.1 0.1
    peak 2273  ppm1  2.67 ppm2  3.07 volume   1.14e+08 { 2273 }
assi (((resi 86 and name HB1))
   and bondedto
   ((resi 86 and name CB)))
   ((resi 86 and name HB2))  6.0 0.1 0.1
    peak 2274  ppm1  3.06 ppm2  2.66 volume   1.10e+08 { 2274 }
assi (((resi 86 and name HB1))
   and bondedto
   ((resi 86 and name CB)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 2275  ppm1  3.06 ppm2  6.82 volume   8.01e+06 { 2275 }
assi (((resi 86 and name HB2))
   and bondedto
   ((resi 86 and name CB)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 2276  ppm1  2.67 ppm2  6.83 volume   7.56e+06 { 2276 }
assi (((resi 87 and name HA))
   and bondedto
   ((resi 87 and name CA)))
   ((resi 87 and name HB1))  6.0 0.1 0.1
    peak 2277  ppm1  4.38 ppm2 -0.00 volume   1.74e+07 { 2277 }
assi (((resi 87 and name HA))
   and bondedto
   ((resi 87 and name CA)))
   ((resi 87 and name HB2))  6.0 0.1 0.1
    peak 2278  ppm1  4.38 ppm2  1.42 volume   1.72e+07 { 2278 }
assi (((resi 87 and name HA))
   and bondedto
   ((resi 87 and name CA)))
   ((resi 87 and name HN))  6.0 0.1 0.1
    peak 2279  ppm1  4.38 ppm2  8.82 volume   9.66e+06 { 2279 }
assi (((resi 87 and name HA))
   and bondedto
   ((resi 87 and name CA)))
   ((resi 88 and name HB1))  6.0 0.1 0.1
    peak 2280  ppm1  4.39 ppm2  1.77 volume   9.46e+06 { 2280 }
assi (((resi 87 and name HA))
   and bondedto
   ((resi 87 and name CA)))
   ((resi 88 and name HD1#))  6.0 0.1 0.1
    peak 2281  ppm1  4.38 ppm2  0.95 volume   4.25e+06 { 2281 }
assi (((resi 87 and name HA))
   and bondedto
   ((resi 87 and name CA)))
   ((resi 88 and name HN))  6.0 0.1 0.1
    peak 2282  ppm1  4.38 ppm2  7.95 volume   4.61e+07 { 2282 }
assi (((resi 87 and name HB1))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 40 and name HB))  6.0 0.1 0.1
    peak 2283  ppm1  0.01 ppm2  3.85 volume   6.81e+06 { 2283 }
assi (((resi 87 and name HB2))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 40 and name HB))  6.0 0.1 0.1
    peak 2284  ppm1  1.42 ppm2  3.86 volume   6.89e+06 { 2284 }
assi (((resi 87 and name HB1))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 41 and name HA))  6.0 0.1 0.1
    peak 2285  ppm1  0.01 ppm2  6.29 volume   9.37e+06 { 2285 }
assi (((resi 87 and name HB2))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 41 and name HA))  6.0 0.1 0.1
    peak 2286  ppm1  1.42 ppm2  6.30 volume   5.32e+06 { 2286 }
assi (((resi 87 and name HB1))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 87 and name HA))  6.0 0.1 0.1
    peak 2287  ppm1  0.01 ppm2  4.38 volume   1.60e+07 { 2287 }
assi (((resi 87 and name HB2))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 87 and name HA))  6.0 0.1 0.1
    peak 2288  ppm1  1.42 ppm2  4.39 volume   1.33e+07 { 2288 }
assi (((resi 87 and name HB2))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 87 and name HB1))  6.0 0.1 0.1
    peak 2289  ppm1  1.42 ppm2  0.00 volume   5.22e+07 { 2289 }
assi (((resi 87 and name HB1))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 87 and name HB2))  6.0 0.1 0.1
    peak 2290  ppm1  0.01 ppm2  1.41 volume   5.46e+07 { 2290 }
assi (((resi 87 and name HB1))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 87 and name HN))  6.0 0.1 0.1
    peak 2291  ppm1  0.01 ppm2  8.82 volume   8.84e+06 { 2291 }
assi (((resi 87 and name HB2))
   and bondedto
   ((resi 87 and name CB)))
   ((resi 87 and name HN))  6.0 0.1 0.1
    peak 2292  ppm1  1.42 ppm2  8.82 volume   9.95e+06 { 2292 }
assi (((resi 88 and name HA))
   and bondedto
   ((resi 88 and name CA)))
   ((resi 88 and name HB2))  6.0 0.1 0.1
    peak 2293  ppm1  5.22 ppm2  1.58 volume   1.37e+08 { 2293 }
assi (((resi 88 and name HA))
   and bondedto
   ((resi 88 and name CA)))
   ((resi 88 and name HD1#))  6.0 0.1 0.1
    peak 2294  ppm1  5.22 ppm2  0.94 volume   3.28e+07 { 2294 }
assi (((resi 88 and name HA))
   and bondedto
   ((resi 88 and name CA)))
   ((resi 88 and name HD2#))  6.0 0.1 0.1
    peak 2295  ppm1  5.21 ppm2  1.06 volume   1.28e+07 { 2295 }
assi (((resi 88 and name HA))
   and bondedto
   ((resi 88 and name CA)))
   ((resi 89 and name HD#))  6.0 0.1 0.1
    peak 2296  ppm1  5.23 ppm2  7.13 volume   5.65e+06 { 2296 }
assi (((resi 88 and name HA))
   and bondedto
   ((resi 88 and name CA)))
   ((resi 89 and name HN))  6.0 0.1 0.1
    peak 2297  ppm1  5.22 ppm2  8.08 volume   3.27e+07 { 2297 }
assi (((resi 88 and name HB1))
   and bondedto
   ((resi 88 and name CB)))
   ((resi 88 and name HA))  6.0 0.1 0.1
    peak 2298  ppm1  1.75 ppm2  5.22 volume   6.09e+06 { 2298 }
assi (((resi 88 and name HB2))
   and bondedto
   ((resi 88 and name CB)))
   ((resi 88 and name HA))  6.0 0.1 0.1
    peak 2299  ppm1  1.57 ppm2  5.22 volume   6.81e+06 { 2299 }
assi (((resi 88 and name HB2))
   and bondedto
   ((resi 88 and name CB)))
   ((resi 88 and name HB1))  6.0 0.1 0.1
    peak 2300  ppm1  1.58 ppm2  1.75 volume   3.27e+08 { 2300 }
assi (((resi 88 and name HB1))
   and bondedto
   ((resi 88 and name CB)))
   ((resi 88 and name HB2))  6.0 0.1 0.1
    peak 2301  ppm1  1.74 ppm2  1.58 volume   2.08e+08 { 2301 }
assi (((resi 88 and name HB1))
   and bondedto
   ((resi 88 and name CB)))
   ((resi 88 and name HD2#))  6.0 0.1 0.1
    peak 2302  ppm1  1.73 ppm2  1.05 volume   3.82e+08 { 2302 }
assi (((resi 88 and name HB2))
   and bondedto
   ((resi 88 and name CB)))
   ((resi 88 and name HD2#))  6.0 0.1 0.1
    peak 2303  ppm1  1.58 ppm2  1.05 volume   1.54e+08 { 2303 }
assi (((resi 88 and name HB1))
   and bondedto
   ((resi 88 and name CB)))
   ((resi 88 and name HN))  6.0 0.1 0.1
    peak 2304  ppm1  1.74 ppm2  7.95 volume   7.08e+06 { 2304 }
assi (((resi 88 and name HB2))
   and bondedto
   ((resi 88 and name CB)))
   ((resi 88 and name HN))  6.0 0.1 0.1
    peak 2305  ppm1  1.58 ppm2  7.95 volume   6.15e+06 { 2305 }
assi (((resi 88 and name HD1#))
   and bondedto
   ((resi 88 and name CD1)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 2306  ppm1  0.94 ppm2  6.83 volume   2.85e+07 { 2306 }
assi (((resi 88 and name HD1#))
   and bondedto
   ((resi 88 and name CD1)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 2307  ppm1  0.94 ppm2  6.66 volume   1.58e+07 { 2307 }
assi (((resi 88 and name HD1#))
   and bondedto
   ((resi 88 and name CD1)))
   ((resi 88 and name HA))  6.0 0.1 0.1
    peak 2308  ppm1  0.94 ppm2  5.24 volume   4.91e+07 { 2308 }
assi (((resi 88 and name HD2#))
   and bondedto
   ((resi 88 and name CD2)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 2309  ppm1  1.05 ppm2  6.83 volume   6.40e+07 { 2309 }
assi (((resi 88 and name HD2#))
   and bondedto
   ((resi 88 and name CD2)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 2310  ppm1  1.05 ppm2  6.65 volume   1.17e+08 { 2310 }
assi (((resi 88 and name HD2#))
   and bondedto
   ((resi 88 and name CD2)))
   ((resi 88 and name HA))  6.0 0.1 0.1
    peak 2311  ppm1  1.05 ppm2  5.23 volume   4.30e+07 { 2311 }
assi (((resi 88 and name HD2#))
   and bondedto
   ((resi 88 and name CD2)))
   ((resi 88 and name HB1))  6.0 0.1 0.1
    peak 2312  ppm1  1.05 ppm2  1.78 volume   3.62e+08 { 2312 }
assi (((resi 88 and name HD2#))
   and bondedto
   ((resi 88 and name CD2)))
   ((resi 88 and name HB2))  6.0 0.1 0.1
    peak 2313  ppm1  1.05 ppm2  1.58 volume   2.96e+08 { 2313 }
assi (((resi 88 and name HD2#))
   and bondedto
   ((resi 88 and name CD2)))
   ((resi 88 and name HN))  6.0 0.1 0.1
    peak 2314  ppm1  1.05 ppm2  7.96 volume   4.30e+07 { 2314 }
assi (((resi 88 and name HG))
   and bondedto
   ((resi 88 and name CG)))
   ((resi 86 and name HD#))  6.0 0.1 0.1
    peak 2315  ppm1  1.80 ppm2  6.83 volume   5.90e+07 { 2315 }
assi (((resi 88 and name HG))
   and bondedto
   ((resi 88 and name CG)))
   ((resi 86 and name HE#))  6.0 0.1 0.1
    peak 2316  ppm1  1.81 ppm2  6.65 volume   4.63e+07 { 2316 }
assi (((resi 88 and name HG))
   and bondedto
   ((resi 88 and name CG)))
   ((resi 88 and name HN))  6.0 0.1 0.1
    peak 2317  ppm1  1.82 ppm2  7.96 volume   8.61e+06 { 2317 }
assi (((resi 89 and name HA))
   and bondedto
   ((resi 89 and name CA)))
   ((resi 89 and name HB#))  6.0 0.1 0.1
    peak 2318  ppm1  4.95 ppm2  3.04 volume   5.74e+08 { 2318 }
assi (((resi 89 and name HA))
   and bondedto
   ((resi 89 and name CA)))
   ((resi 89 and name HD#))  6.0 0.1 0.1
    peak 2319  ppm1  4.95 ppm2  7.11 volume   1.06e+07 { 2319 }
assi (((resi 89 and name HA))
   and bondedto
   ((resi 89 and name CA)))
   ((resi 89 and name HN))  6.0 0.1 0.1
    peak 2320  ppm1  4.95 ppm2  8.07 volume   1.22e+08 { 2320 }
assi (((resi 89 and name HB#))
   and bondedto
   ((resi 89 and name CB)))
   ((resi 89 and name HA))  6.0 0.1 0.1
    peak 2321  ppm1  3.04 ppm2  4.96 volume   1.92e+07 { 2321 }
assi (((resi 89 and name HB#))
   and bondedto
   ((resi 89 and name CB)))
   ((resi 89 and name HD#))  6.0 0.1 0.1
    peak 2322  ppm1  3.04 ppm2  7.13 volume   2.27e+07 { 2322 }
assi (((resi 89 and name HB#))
   and bondedto
   ((resi 89 and name CB)))
   ((resi 89 and name HN))  6.0 0.1 0.1
    peak 2323  ppm1  3.06 ppm2  8.07 volume   5.16e+06 { 2323 }


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1   9.288 -13.511  -5.023
    2   2H    MET   1          HT2       MET   1   8.330 -13.541  -6.445
    3   3H    MET   1          HT3       MET   1   7.826 -14.408  -5.054
    4    HA   MET   1           HA       MET   1   7.684 -12.306  -3.856
    5   1HB   MET   1          HB1       MET   1   9.061 -11.424  -6.145
    6   2HB   MET   1          HB2       MET   1   7.470 -10.682  -6.238
    7   1HG   MET   1          HG2       MET   1   8.434  -9.095  -4.983
    8   2HG   MET   1          HG1       MET   1   8.048 -10.198  -3.663
    9   1HE   MET   1          HE1       MET   1  11.222 -10.160  -1.924
   10   2HE   MET   1          HE2       MET   1  10.095 -11.493  -2.179
   11   3HE   MET   1          HE3       MET   1   9.486  -9.851  -1.969
   12    H    GLU   2           HN       GLU   2   5.614 -11.407  -3.654
   13    HA   GLU   2           HA       GLU   2   3.638 -12.262  -5.660
   14   1HB   GLU   2          HB2       GLU   2   3.749 -12.865  -2.760
   15   2HB   GLU   2          HB1       GLU   2   2.173 -12.411  -3.396
   16   1HG   GLU   2          HG1       GLU   2   2.061 -14.254  -4.794
   17   2HG   GLU   2          HG2       GLU   2   3.803 -14.516  -4.751
   18    H    VAL   3           HN       VAL   3   4.511  -9.799  -5.917
   19    HA   VAL   3           HA       VAL   3   2.692  -8.039  -4.425
   20    HB   VAL   3           HB       VAL   3   4.805  -7.005  -6.276
   21   1HG1  VAL   3          HG21      VAL   3   3.251  -5.402  -5.399
   22   2HG1  VAL   3          HG22      VAL   3   4.820  -5.154  -4.634
   23   3HG1  VAL   3          HG23      VAL   3   3.531  -5.971  -3.754
   24   1HG2  VAL   3          HG11      VAL   3   6.126  -6.877  -3.963
   25   2HG2  VAL   3          HG12      VAL   3   6.302  -8.227  -5.084
   26   3HG2  VAL   3          HG13      VAL   3   5.235  -8.374  -3.686
   27    H    LYS   4           HN       LYS   4   0.797  -7.729  -5.392
   28    HA   LYS   4           HA       LYS   4   0.757  -7.508  -8.328
   29   1HB   LYS   4          HB1       LYS   4  -1.419  -8.408  -8.362
   30   2HB   LYS   4          HB2       LYS   4  -0.535  -9.406  -7.222
   31   1HG   LYS   4          HG2       LYS   4  -1.913  -7.155  -5.966
   32   2HG   LYS   4          HG1       LYS   4  -2.986  -8.284  -6.791
   33   1HD   LYS   4          HD1       LYS   4  -1.588 -10.093  -5.548
   34   2HD   LYS   4          HD2       LYS   4  -1.143  -8.753  -4.492
   35   1HE   LYS   4          HE1       LYS   4  -3.320  -8.436  -3.756
   36   2HE   LYS   4          HE2       LYS   4  -4.014  -9.269  -5.148
   37   1HZ   LYS   4          HZ1       LYS   4  -2.366 -10.683  -3.138
   38   2HZ   LYS   4          HZ2       LYS   4  -3.423 -11.345  -4.281
   39   3HZ   LYS   4          HZ3       LYS   4  -4.037 -10.496  -2.953
   40    H    ILE   5           HN       ILE   5  -0.383  -5.847  -9.306
   41    HA   ILE   5           HA       ILE   5  -1.157  -3.639  -7.508
   42    HB   ILE   5           HB       ILE   5  -0.264  -3.366 -10.377
   43   1HG1  ILE   5          HG11      ILE   5   1.637  -4.185  -9.176
   44   2HG1  ILE   5          HG12      ILE   5   1.851  -2.447  -9.353
   45   1HG2  ILE   5          HG21      ILE   5  -0.661  -1.174 -10.183
   46   2HG2  ILE   5          HG22      ILE   5   0.003  -1.104  -8.550
   47   3HG2  ILE   5          HG23      ILE   5  -1.663  -1.625  -8.802
   48   1HD1  ILE   5          HD11      ILE   5   1.052  -3.969  -6.898
   49   2HD1  ILE   5          HD12      ILE   5   0.905  -2.217  -7.034
   50   3HD1  ILE   5          HD13      ILE   5   2.490  -2.981  -7.156
   51    H    GLU   6           HN       GLU   6  -3.274  -3.274  -7.448
   52    HA   GLU   6           HA       GLU   6  -4.835  -3.358  -9.895
   53   1HB   GLU   6          HB2       GLU   6  -4.765  -5.646  -8.442
   54   2HB   GLU   6          HB1       GLU   6  -6.119  -4.827  -7.675
   55   1HG   GLU   6          HG2       GLU   6  -7.193  -4.586  -9.870
   56   2HG   GLU   6          HG1       GLU   6  -5.852  -5.464 -10.604
   57    H    LYS   7           HN       LYS   7  -6.720  -2.152  -9.822
   58    HA   LYS   7           HA       LYS   7  -7.039  -0.493  -7.411
   59   1HB   LYS   7          HB1       LYS   7  -7.689   0.105 -10.302
   60   2HB   LYS   7          HB2       LYS   7  -8.113   1.157  -8.958
   61   1HG   LYS   7          HG1       LYS   7  -6.176   2.149  -9.568
   62   2HG   LYS   7          HG2       LYS   7  -5.510   0.935  -8.474
   63   1HD   LYS   7          HD1       LYS   7  -4.534  -0.223 -10.145
   64   2HD   LYS   7          HD2       LYS   7  -5.878   0.051 -11.256
   65   1HE   LYS   7          HE1       LYS   7  -3.883   1.148 -12.079
   66   2HE   LYS   7          HE2       LYS   7  -5.089   2.349 -11.617
   67   1HZ   LYS   7          HZ1       LYS   7  -3.796   3.140  -9.984
   68   2HZ   LYS   7          HZ2       LYS   7  -2.532   2.418 -10.846
   69   3HZ   LYS   7          HZ3       LYS   7  -3.224   1.615  -9.527
   70    HA   PRO   8           HA       PRO   8 -10.729  -3.146  -7.111
   71   1HB   PRO   8          HB2       PRO   8 -11.060  -1.368  -4.746
   72   2HB   PRO   8          HB1       PRO   8 -11.211  -3.123  -4.864
   73   1HG   PRO   8          HG1       PRO   8  -9.049  -1.989  -3.773
   74   2HG   PRO   8          HG2       PRO   8  -8.934  -3.464  -4.746
   75   1HD   PRO   8          HD2       PRO   8  -8.154  -0.685  -5.426
   76   2HD   PRO   8          HD1       PRO   8  -7.471  -2.221  -5.984
   77    H    THR   9           HN       THR   9 -12.597  -2.778  -8.052
   78    HA   THR   9           HA       THR   9 -13.472  -0.039  -8.543
   79    HB   THR   9           HB       THR   9 -13.671  -1.202 -10.534
   80    HG1  THR   9           HG1      THR   9 -15.778  -1.212 -10.919
   81   1HG2  THR   9          HG21      THR   9 -13.142  -3.402 -10.113
   82   2HG2  THR   9          HG22      THR   9 -14.834  -3.496 -10.604
   83   3HG2  THR   9          HG23      THR   9 -14.405  -3.581  -8.895
   84    HA   PRO  10           HA       PRO  10 -16.709   0.519  -5.623
   85   1HB   PRO  10          HB1       PRO  10 -18.859   0.321  -7.546
   86   2HB   PRO  10          HB2       PRO  10 -18.245   1.755  -6.724
   87   1HG   PRO  10          HG2       PRO  10 -17.652   0.749  -9.420
   88   2HG   PRO  10          HG1       PRO  10 -17.432   2.376  -8.753
   89   1HD   PRO  10          HD2       PRO  10 -15.346   0.760  -9.320
   90   2HD   PRO  10          HD1       PRO  10 -15.314   1.900  -7.959
   91    H    GLU  11           HN       GLU  11 -17.068  -2.036  -8.023
   92    HA   GLU  11           HA       GLU  11 -19.024  -3.504  -6.541
   93   1HB   GLU  11          HB2       GLU  11 -18.335  -3.557  -9.110
   94   2HB   GLU  11          HB1       GLU  11 -17.278  -4.846  -8.552
   95   1HG   GLU  11          HG1       GLU  11 -19.214  -6.031  -7.637
   96   2HG   GLU  11          HG2       GLU  11 -20.268  -4.743  -8.220
   97    H    LYS  12           HN       LYS  12 -15.511  -3.774  -6.986
   98    HA   LYS  12           HA       LYS  12 -15.300  -6.110  -5.329
   99   1HB   LYS  12          HB1       LYS  12 -13.272  -4.230  -6.530
  100   2HB   LYS  12          HB2       LYS  12 -12.811  -5.558  -5.474
  101   1HG   LYS  12          HG2       LYS  12 -14.562  -6.230  -7.757
  102   2HG   LYS  12          HG1       LYS  12 -12.902  -5.767  -8.132
  103   1HD   LYS  12          HD1       LYS  12 -13.631  -7.876  -6.108
  104   2HD   LYS  12          HD2       LYS  12 -13.271  -8.227  -7.800
  105   1HE   LYS  12          HE2       LYS  12 -11.351  -6.678  -6.095
  106   2HE   LYS  12          HE1       LYS  12 -11.377  -8.440  -6.065
  107   1HZ   LYS  12          HZ1       LYS  12 -11.344  -7.864  -8.711
  108   2HZ   LYS  12          HZ2       LYS  12  -9.995  -8.292  -7.786
  109   3HZ   LYS  12          HZ3       LYS  12 -10.345  -6.661  -8.067
  110    H    LEU  13           HN       LEU  13 -15.007  -2.656  -4.895
  111    HA   LEU  13           HA       LEU  13 -13.709  -2.670  -2.399
  112   1HB   LEU  13          HB1       LEU  13 -15.517  -0.657  -3.720
  113   2HB   LEU  13          HB2       LEU  13 -14.740  -0.364  -2.175
  114    HG   LEU  13           HG       LEU  13 -13.121  -1.109  -4.591
  115   1HD1  LEU  13          HD11      LEU  13 -14.590   0.857  -5.107
  116   2HD1  LEU  13          HD12      LEU  13 -12.855   1.167  -5.194
  117   3HD1  LEU  13          HD13      LEU  13 -13.780   1.714  -3.794
  118   1HD2  LEU  13          HD21      LEU  13 -11.580   0.526  -3.198
  119   2HD2  LEU  13          HD22      LEU  13 -11.707  -1.190  -2.813
  120   3HD2  LEU  13          HD23      LEU  13 -12.627  -0.007  -1.883
  121    H    LYS  14           HN       LYS  14 -17.047  -3.123  -3.306
  122    HA   LYS  14           HA       LYS  14 -18.350  -2.576  -0.922
  123   1HB   LYS  14          HB2       LYS  14 -19.372  -3.258  -3.147
  124   2HB   LYS  14          HB1       LYS  14 -19.012  -4.920  -2.704
  125   1HG   LYS  14          HG2       LYS  14 -21.080  -4.903  -1.855
  126   2HG   LYS  14          HG1       LYS  14 -20.327  -4.072  -0.491
  127   1HD   LYS  14          HD2       LYS  14 -22.252  -2.813  -1.121
  128   2HD   LYS  14          HD1       LYS  14 -20.831  -1.906  -1.646
  129   1HE   LYS  14          HE1       LYS  14 -22.807  -2.128  -3.275
  130   2HE   LYS  14          HE2       LYS  14 -21.179  -2.416  -3.888
  131   1HZ   LYS  14          HZ1       LYS  14 -23.002  -4.070  -4.500
  132   2HZ   LYS  14          HZ2       LYS  14 -22.853  -4.645  -2.916
  133   3HZ   LYS  14          HZ3       LYS  14 -21.525  -4.696  -3.963
  134    H    GLU  15           HN       GLU  15 -16.815  -5.608  -1.962
  135    HA   GLU  15           HA       GLU  15 -17.271  -6.873   0.593
  136   1HB   GLU  15          HB1       GLU  15 -15.349  -7.879  -1.486
  137   2HB   GLU  15          HB2       GLU  15 -16.320  -8.799  -0.345
  138   1HG   GLU  15          HG2       GLU  15 -18.255  -7.578  -1.785
  139   2HG   GLU  15          HG1       GLU  15 -16.997  -7.768  -3.006
  140    H    LEU  16           HN       LEU  16 -14.765  -5.064  -0.975
  141    HA   LEU  16           HA       LEU  16 -12.790  -5.708   1.065
  142   1HB   LEU  16          HB2       LEU  16 -12.606  -3.830  -1.292
  143   2HB   LEU  16          HB1       LEU  16 -11.280  -4.288  -0.241
  144    HG   LEU  16           HG       LEU  16 -12.791  -6.113  -2.106
  145   1HD1  LEU  16          HD21      LEU  16 -11.372  -4.900  -3.468
  146   2HD1  LEU  16          HD22      LEU  16 -10.384  -6.297  -3.044
  147   3HD1  LEU  16          HD23      LEU  16 -10.132  -4.757  -2.224
  148   1HD2  LEU  16          HD11      LEU  16 -10.861  -6.630   0.088
  149   2HD2  LEU  16          HD12      LEU  16 -10.708  -7.583  -1.389
  150   3HD2  LEU  16          HD13      LEU  16 -12.219  -7.601  -0.480
  151    H    SER  17           HN       SER  17 -15.379  -4.016   1.377
  152    HA   SER  17           HA       SER  17 -15.280  -1.426   1.726
  153   1HB   SER  17          HB2       SER  17 -16.110  -3.384   3.872
  154   2HB   SER  17          HB1       SER  17 -16.512  -1.668   3.893
  155    HG   SER  17           HG       SER  17 -18.081  -3.241   2.931
  156    H    VAL  18           HN       VAL  18 -13.197  -0.603   1.861
  157    HA   VAL  18           HA       VAL  18 -11.460  -1.130   4.048
  158    HB   VAL  18           HB       VAL  18 -10.080   0.653   3.203
  159   1HG1  VAL  18          HG21      VAL  18 -11.029  -0.390   0.617
  160   2HG1  VAL  18          HG22      VAL  18 -10.676  -1.608   1.843
  161   3HG1  VAL  18          HG23      VAL  18  -9.428  -0.462   1.354
  162   1HG2  VAL  18          HG11      VAL  18 -10.767   2.166   1.462
  163   2HG2  VAL  18          HG12      VAL  18 -11.923   2.266   2.791
  164   3HG2  VAL  18          HG13      VAL  18 -12.334   1.367   1.330
  165    H    GLU  19           HN       GLU  19 -14.171   0.909   3.600
  166    HA   GLU  19           HA       GLU  19 -13.750   3.068   5.244
  167   1HB   GLU  19          HB1       GLU  19 -16.244   2.820   5.777
  168   2HB   GLU  19          HB2       GLU  19 -15.801   2.956   4.080
  169   1HG   GLU  19          HG1       GLU  19 -16.818   1.043   3.642
  170   2HG   GLU  19          HG2       GLU  19 -15.775   0.202   4.793
  171    H    LYS  20           HN       LYS  20 -14.378  -0.261   6.106
  172    HA   LYS  20           HA       LYS  20 -14.757   0.264   8.905
  173   1HB   LYS  20          HB1       LYS  20 -13.978  -2.459   8.012
  174   2HB   LYS  20          HB2       LYS  20 -15.250  -1.960   9.115
  175   1HG   LYS  20          HG2       LYS  20 -16.533  -1.156   7.100
  176   2HG   LYS  20          HG1       LYS  20 -15.315  -1.962   6.112
  177   1HD   LYS  20          HD1       LYS  20 -16.161  -3.992   6.520
  178   2HD   LYS  20          HD2       LYS  20 -16.384  -3.651   8.237
  179   1HE   LYS  20          HE2       LYS  20 -18.343  -2.144   7.355
  180   2HE   LYS  20          HE1       LYS  20 -18.245  -3.207   5.952
  181   1HZ   LYS  20          HZ1       LYS  20 -18.243  -4.603   8.469
  182   2HZ   LYS  20          HZ2       LYS  20 -19.159  -4.887   7.075
  183   3HZ   LYS  20          HZ3       LYS  20 -19.659  -3.719   8.192
  184    H    TRP  21           HN       TRP  21 -12.061  -0.255   6.822
  185    HA   TRP  21           HA       TRP  21 -10.271  -1.097   8.924
  186   1HB   TRP  21          HB2       TRP  21  -9.391  -0.104   6.223
  187   2HB   TRP  21          HB1       TRP  21  -8.619  -1.299   7.259
  188    HD1  TRP  21           HD1      TRP  21 -11.998  -2.507   7.266
  189    HE1  TRP  21           HE1      TRP  21 -12.432  -4.218   5.403
  190    HE3  TRP  21           HE3      TRP  21  -7.895  -1.596   4.347
  191    HZ2  TRP  21           HZ2      TRP  21 -11.197  -5.088   3.021
  192    HZ3  TRP  21           HZ3      TRP  21  -7.595  -2.917   2.293
  193    HH2  TRP  21           HH2      TRP  21  -9.215  -4.627   1.645
  194    HA   PRO  22           HA       PRO  22  -8.937   2.812  10.479
  195   1HB   PRO  22          HB2       PRO  22  -6.178   2.415  10.393
  196   2HB   PRO  22          HB1       PRO  22  -7.238   1.966  11.729
  197   1HG   PRO  22          HG2       PRO  22  -6.148   0.290   9.524
  198   2HG   PRO  22          HG1       PRO  22  -6.434  -0.134  11.218
  199   1HD   PRO  22          HD1       PRO  22  -8.080  -0.965   9.268
  200   2HD   PRO  22          HD2       PRO  22  -8.701  -0.505  10.868
  201    H    ILE  23           HN       ILE  23  -7.158   4.545   9.943
  202    HA   ILE  23           HA       ILE  23  -6.665   4.650   7.059
  203    HB   ILE  23           HB       ILE  23  -7.883   6.957   8.576
  204   1HG1  ILE  23          HG11      ILE  23  -9.769   6.400   6.799
  205   2HG1  ILE  23          HG12      ILE  23  -9.079   4.783   6.908
  206   1HG2  ILE  23          HG21      ILE  23  -8.210   7.778   6.171
  207   2HG2  ILE  23          HG22      ILE  23  -7.011   6.561   5.736
  208   3HG2  ILE  23          HG23      ILE  23  -6.586   7.856   6.856
  209   1HD1  ILE  23          HD11      ILE  23 -10.707   6.276   8.831
  210   2HD1  ILE  23          HD12      ILE  23  -9.347   5.393   9.524
  211   3HD1  ILE  23          HD13      ILE  23 -10.557   4.539   8.568
  212    H    TRP  24           HN       TRP  24  -4.926   5.933   6.429
  213    HA   TRP  24           HA       TRP  24  -3.259   6.977   8.624
  214   1HB   TRP  24          HB1       TRP  24  -2.565   4.755   7.387
  215   2HB   TRP  24          HB2       TRP  24  -2.018   5.862   6.133
  216    HD1  TRP  24           HD1      TRP  24  -1.667   6.579   9.897
  217    HE1  TRP  24           HE1      TRP  24   0.839   6.740  10.460
  218    HE3  TRP  24           HE3      TRP  24   0.271   5.200   5.373
  219    HZ2  TRP  24           HZ2      TRP  24   3.311   6.335   9.158
  220    HZ3  TRP  24           HZ3      TRP  24   2.716   5.111   5.114
  221    HH2  TRP  24           HH2      TRP  24   4.203   5.667   6.968
  222    H    GLU  25           HN       GLU  25  -2.551   9.011   8.384
  223    HA   GLU  25           HA       GLU  25  -2.867  10.271   5.736
  224   1HB   GLU  25          HB2       GLU  25  -2.940  11.564   8.474
  225   2HB   GLU  25          HB1       GLU  25  -3.079  12.418   6.944
  226   1HG   GLU  25          HG1       GLU  25  -5.077  10.699   6.613
  227   2HG   GLU  25          HG2       GLU  25  -5.058  10.750   8.375
  228    H    LYS  26           HN       LYS  26  -1.052  10.977   4.762
  229    HA   LYS  26           HA       LYS  26   1.268  11.661   6.393
  230   1HB   LYS  26          HB2       LYS  26   1.499   9.264   5.955
  231   2HB   LYS  26          HB1       LYS  26   1.352   9.557   4.228
  232   1HG   LYS  26          HG2       LYS  26   3.661   9.220   4.800
  233   2HG   LYS  26          HG1       LYS  26   3.416  10.896   4.303
  234   1HD   LYS  26          HD2       LYS  26   2.993  11.000   7.016
  235   2HD   LYS  26          HD1       LYS  26   4.290   9.811   6.867
  236   1HE   LYS  26          HE2       LYS  26   5.749  11.327   5.905
  237   2HE   LYS  26          HE1       LYS  26   4.450  12.383   5.360
  238   1HZ   LYS  26          HZ1       LYS  26   5.634  13.370   7.203
  239   2HZ   LYS  26          HZ2       LYS  26   5.337  12.015   8.171
  240   3HZ   LYS  26          HZ3       LYS  26   4.054  13.000   7.677
  241    H    GLU  27           HN       GLU  27   2.643  13.094   5.517
  242    HA   GLU  27           HA       GLU  27   1.806  14.413   3.057
  243   1HB   GLU  27          HB1       GLU  27   3.743  16.010   3.778
  244   2HB   GLU  27          HB2       GLU  27   2.205  16.059   4.627
  245   1HG   GLU  27          HG2       GLU  27   4.340  14.282   5.675
  246   2HG   GLU  27          HG1       GLU  27   4.491  16.020   5.916
  247    H    VAL  28           HN       VAL  28   3.482  15.075   1.496
  248    HA   VAL  28           HA       VAL  28   4.748  12.896   0.331
  249    HB   VAL  28           HB       VAL  28   5.448  15.814  -0.016
  250   1HG1  VAL  28          HG11      VAL  28   6.666  15.299  -1.850
  251   2HG1  VAL  28          HG12      VAL  28   5.660  13.912  -2.263
  252   3HG1  VAL  28          HG13      VAL  28   6.881  13.768  -1.004
  253   1HG2  VAL  28          HG21      VAL  28   3.360  14.085  -1.318
  254   2HG2  VAL  28          HG22      VAL  28   3.864  15.652  -1.950
  255   3HG2  VAL  28          HG23      VAL  28   3.108  15.543  -0.359
  256    H    SER  29           HN       SER  29   5.812  12.212   2.524
  257    HA   SER  29           HA       SER  29   8.477  13.382   2.856
  258   1HB   SER  29          HB1       SER  29   6.712  12.639   4.757
  259   2HB   SER  29          HB2       SER  29   7.601  11.127   4.576
  260    HG   SER  29           HG       SER  29   8.750  13.671   5.094
  261    H    GLU  30           HN       GLU  30   9.607  10.927   3.918
  262    HA   GLU  30           HA       GLU  30   9.472   8.982   1.774
  263   1HB   GLU  30          HB1       GLU  30  12.096  10.287   2.539
  264   2HB   GLU  30          HB2       GLU  30  11.904   8.936   1.429
  265   1HG   GLU  30          HG1       GLU  30  12.071  10.642  -0.060
  266   2HG   GLU  30          HG2       GLU  30  10.324  10.626   0.175
  267    H    PHE  31           HN       PHE  31   9.428   7.022   2.707
  268    HA   PHE  31           HA       PHE  31  10.676   6.736   5.358
  269   1HB   PHE  31          HB1       PHE  31   8.010   5.651   4.441
  270   2HB   PHE  31          HB2       PHE  31   8.776   5.256   5.977
  271    HD1  PHE  31           HD1      PHE  31   9.242   7.161   7.595
  272    HD2  PHE  31           HD2      PHE  31   6.673   7.532   4.223
  273    HE1  PHE  31           HE1      PHE  31   8.185   9.133   8.622
  274    HE2  PHE  31           HE2      PHE  31   5.613   9.502   5.240
  275    HZ   PHE  31           HZ       PHE  31   6.368  10.306   7.443
  276    H    ASP  32           HN       ASP  32  11.478   4.725   5.940
  277    HA   ASP  32           HA       ASP  32  12.131   2.946   3.712
  278   1HB   ASP  32          HB1       ASP  32  13.902   3.709   5.362
  279   2HB   ASP  32          HB2       ASP  32  13.070   2.748   6.582
  280    H    TRP  33           HN       TRP  33  11.192   0.946   3.502
  281    HA   TRP  33           HA       TRP  33   9.223   0.255   5.577
  282   1HB   TRP  33          HB2       TRP  33   8.619   0.853   3.057
  283   2HB   TRP  33          HB1       TRP  33   8.988  -0.854   2.822
  284    HD1  TRP  33           HD1      TRP  33   7.158   0.633   5.884
  285    HE1  TRP  33           HE1      TRP  33   4.819  -0.432   6.011
  286    HE3  TRP  33           HE3      TRP  33   7.260  -2.076   1.548
  287    HZ2  TRP  33           HZ2      TRP  33   3.226  -2.188   4.478
  288    HZ3  TRP  33           HZ3      TRP  33   5.288  -3.422   0.952
  289    HH2  TRP  33           HH2      TRP  33   3.315  -3.475   2.386
  290    H    TYR  34           HN       TYR  34   9.285  -1.616   6.564
  291    HA   TYR  34           HA       TYR  34  10.828  -3.826   5.410
  292   1HB   TYR  34          HB1       TYR  34  12.321  -2.903   7.051
  293   2HB   TYR  34          HB2       TYR  34  11.027  -2.782   8.241
  294    HD1  TYR  34           HD1      TYR  34  13.161  -5.169   6.386
  295    HD2  TYR  34           HD2      TYR  34  10.474  -4.612   9.637
  296    HE1  TYR  34           HE1      TYR  34  13.751  -7.395   7.247
  297    HE2  TYR  34           HE2      TYR  34  11.056  -6.837  10.507
  298    HH   TYR  34           HH       TYR  34  12.632  -8.515  10.364
  299    H    TYR  35           HN       TYR  35   9.388  -5.390   5.076
  300    HA   TYR  35           HA       TYR  35   6.888  -5.461   6.440
  301   1HB   TYR  35          HB2       TYR  35   7.883  -6.456   4.050
  302   2HB   TYR  35          HB1       TYR  35   7.561  -7.900   5.004
  303    HD1  TYR  35           HD1      TYR  35   5.752  -4.645   4.872
  304    HD2  TYR  35           HD2      TYR  35   5.624  -8.835   4.148
  305    HE1  TYR  35           HE1      TYR  35   3.361  -4.473   4.329
  306    HE2  TYR  35           HE2      TYR  35   3.236  -8.671   3.603
  307    HH   TYR  35           HH       TYR  35   1.651  -5.630   3.185
  308    H    ASP  36           HN       ASP  36   6.010  -7.277   7.597
  309    HA   ASP  36           HA       ASP  36   7.775  -9.238   8.740
  310   1HB   ASP  36          HB2       ASP  36   7.437  -8.544  11.082
  311   2HB   ASP  36          HB1       ASP  36   8.309  -7.319  10.164
  312    H    THR  37           HN       THR  37   5.220  -9.010   7.234
  313    HA   THR  37           HA       THR  37   3.834 -11.161   8.222
  314    HB   THR  37           HB       THR  37   3.085 -10.175  10.181
  315    HG1  THR  37           HG1      THR  37   1.298 -10.761   8.725
  316   1HG2  THR  37          HG21      THR  37   3.400  -8.029  10.571
  317   2HG2  THR  37          HG22      THR  37   1.985  -7.674   9.582
  318   3HG2  THR  37          HG23      THR  37   3.588  -7.703   8.848
  319    H    ASN  38           HN       ASN  38   2.204 -11.778   6.845
  320    HA   ASN  38           HA       ASN  38   2.000 -10.551   4.329
  321   1HB   ASN  38          HB1       ASN  38   1.076 -12.923   5.524
  322   2HB   ASN  38          HB2       ASN  38  -0.372 -12.083   4.973
  323   1HD2  ASN  38          HD22      ASN  38   2.859 -13.038   3.887
  324   2HD2  ASN  38          HD21      ASN  38   2.403 -13.359   2.252
  325    H    GLU  39           HN       GLU  39   1.479  -8.392   4.483
  326    HA   GLU  39           HA       GLU  39  -1.139  -7.765   5.670
  327   1HB   GLU  39          HB1       GLU  39   0.147  -6.383   6.914
  328   2HB   GLU  39          HB2       GLU  39   1.480  -6.434   5.777
  329   1HG   GLU  39          HG2       GLU  39   0.397  -4.740   4.403
  330   2HG   GLU  39          HG1       GLU  39  -0.974  -4.708   5.512
  331    H    THR  40           HN       THR  40  -2.314  -5.964   4.681
  332    HA   THR  40           HA       THR  40  -1.809  -5.560   1.830
  333    HB   THR  40           HB       THR  40  -4.327  -6.709   3.032
  334    HG1  THR  40           HG1      THR  40  -2.682  -7.462   0.851
  335   1HG2  THR  40          HG21      THR  40  -5.237  -6.537   0.659
  336   2HG2  THR  40          HG22      THR  40  -4.047  -5.254   0.436
  337   3HG2  THR  40          HG23      THR  40  -5.293  -5.096   1.675
  338    H    CYS  41           HN       CYS  41  -2.221  -3.490   1.197
  339    HA   CYS  41           HA       CYS  41  -3.843  -1.824   2.994
  340   1HB   CYS  41          HB2       CYS  41  -2.096   0.034   2.188
  341   2HB   CYS  41          HB1       CYS  41  -1.870  -0.915   3.655
  342    HG   CYS  41           HG       CYS  41  -0.347  -1.471   0.994
  343    H    TYR  42           HN       TYR  42  -4.847  -0.010   2.029
  344    HA   TYR  42           HA       TYR  42  -5.049  -0.164  -0.906
  345   1HB   TYR  42          HB1       TYR  42  -7.053  -1.126  -0.177
  346   2HB   TYR  42          HB2       TYR  42  -7.169  -0.059   1.216
  347    HD1  TYR  42           HD1      TYR  42  -8.407   1.930   1.121
  348    HD2  TYR  42           HD2      TYR  42  -7.563  -0.183  -2.472
  349    HE1  TYR  42           HE1      TYR  42  -9.979   3.378  -0.088
  350    HE2  TYR  42           HE2      TYR  42  -9.134   1.260  -3.696
  351    HH   TYR  42           HH       TYR  42 -10.912   2.729  -3.383
  352    H    ILE  43           HN       ILE  43  -4.763   1.700  -1.968
  353    HA   ILE  43           HA       ILE  43  -4.231   4.123  -0.498
  354    HB   ILE  43           HB       ILE  43  -4.321   3.642  -3.476
  355   1HG1  ILE  43          HG11      ILE  43  -2.580   2.413  -2.006
  356   2HG1  ILE  43          HG12      ILE  43  -2.009   3.278  -3.429
  357   1HG2  ILE  43          HG21      ILE  43  -4.616   5.944  -3.227
  358   2HG2  ILE  43          HG22      ILE  43  -2.881   5.756  -3.483
  359   3HG2  ILE  43          HG23      ILE  43  -3.507   6.031  -1.857
  360   1HD1  ILE  43          HD11      ILE  43  -1.022   4.948  -2.180
  361   2HD1  ILE  43          HD12      ILE  43  -0.724   3.506  -1.207
  362   3HD1  ILE  43          HD13      ILE  43  -2.018   4.618  -0.761
  363    H    LEU  44           HN       LEU  44  -5.467   5.917  -0.353
  364    HA   LEU  44           HA       LEU  44  -8.097   5.869  -1.678
  365   1HB   LEU  44          HB2       LEU  44  -8.366   5.514   0.691
  366   2HB   LEU  44          HB1       LEU  44  -7.356   6.899   1.056
  367    HG   LEU  44           HG       LEU  44  -9.039   8.409   0.156
  368   1HD1  LEU  44          HD21      LEU  44 -11.259   7.505  -0.498
  369   2HD1  LEU  44          HD22      LEU  44 -10.564   5.885  -0.458
  370   3HD1  LEU  44          HD23      LEU  44  -9.959   7.077  -1.610
  371   1HD2  LEU  44          HD11      LEU  44 -10.695   6.658   1.871
  372   2HD2  LEU  44          HD12      LEU  44 -10.357   8.384   1.999
  373   3HD2  LEU  44          HD13      LEU  44  -9.154   7.208   2.530
  374    H    GLU  45           HN       GLU  45  -5.194   7.619  -1.159
  375    HA   GLU  45           HA       GLU  45  -5.703   9.539  -3.094
  376   1HB   GLU  45          HB1       GLU  45  -7.356  10.527  -1.686
  377   2HB   GLU  45          HB2       GLU  45  -6.311  10.432  -0.277
  378   1HG   GLU  45          HG2       GLU  45  -5.079  12.260  -0.887
  379   2HG   GLU  45          HG1       GLU  45  -5.432  12.061  -2.603
  380    H    GLY  46           HN       GLY  46  -3.611   9.329  -3.720
  381   1HA   GLY  46          HA2       GLY  46  -1.594  10.879  -2.811
  382   2HA   GLY  46          HA1       GLY  46  -1.454   9.452  -1.797
  383    H    LYS  47           HN       LYS  47   0.686   9.965  -3.217
  384    HA   LYS  47           HA       LYS  47   0.642   7.913  -5.316
  385   1HB   LYS  47          HB1       LYS  47   0.977  10.680  -5.778
  386   2HB   LYS  47          HB2       LYS  47   2.568   9.952  -5.960
  387   1HG   LYS  47          HG1       LYS  47   1.001   8.217  -7.360
  388   2HG   LYS  47          HG2       LYS  47   0.208   9.764  -7.664
  389   1HD   LYS  47          HD2       LYS  47   1.786   9.586  -9.380
  390   2HD   LYS  47          HD1       LYS  47   2.555  10.646  -8.197
  391   1HE   LYS  47          HE1       LYS  47   4.194   9.075  -8.906
  392   2HE   LYS  47          HE2       LYS  47   3.710   8.624  -7.272
  393   1HZ   LYS  47          HZ1       LYS  47   3.897   6.800  -9.038
  394   2HZ   LYS  47          HZ2       LYS  47   2.421   7.386  -9.618
  395   3HZ   LYS  47          HZ3       LYS  47   2.535   6.799  -8.036
  396    H    VAL  48           HN       VAL  48   2.082   6.381  -4.869
  397    HA   VAL  48           HA       VAL  48   4.573   7.139  -3.504
  398    HB   VAL  48           HB       VAL  48   2.733   4.860  -2.782
  399   1HG1  VAL  48          HG21      VAL  48   4.721   3.711  -2.623
  400   2HG1  VAL  48          HG22      VAL  48   4.646   4.454  -1.024
  401   3HG1  VAL  48          HG23      VAL  48   5.659   5.166  -2.280
  402   1HG2  VAL  48          HG11      VAL  48   2.611   5.863  -0.658
  403   2HG2  VAL  48          HG12      VAL  48   2.446   7.185  -1.813
  404   3HG2  VAL  48          HG13      VAL  48   3.983   6.920  -0.990
  405    H    GLU  49           HN       GLU  49   6.365   6.345  -4.374
  406    HA   GLU  49           HA       GLU  49   6.114   4.261  -6.436
  407   1HB   GLU  49          HB1       GLU  49   8.415   6.192  -6.138
  408   2HB   GLU  49          HB2       GLU  49   8.036   5.171  -7.519
  409   1HG   GLU  49          HG1       GLU  49   6.181   6.504  -8.117
  410   2HG   GLU  49          HG2       GLU  49   6.224   7.376  -6.586
  411    H    VAL  50           HN       VAL  50   6.669   2.337  -5.657
  412    HA   VAL  50           HA       VAL  50   8.647   2.189  -3.502
  413    HB   VAL  50           HB       VAL  50   6.693   0.117  -4.510
  414   1HG1  VAL  50          HG11      VAL  50   8.897  -0.017  -2.523
  415   2HG1  VAL  50          HG12      VAL  50   8.287  -1.252  -3.628
  416   3HG1  VAL  50          HG13      VAL  50   7.395  -0.865  -2.154
  417   1HG2  VAL  50          HG21      VAL  50   6.507   2.270  -2.567
  418   2HG2  VAL  50          HG22      VAL  50   6.105   0.696  -1.880
  419   3HG2  VAL  50          HG23      VAL  50   5.236   1.288  -3.296
  420    H    THR  51           HN       THR  51  10.579   1.270  -3.716
  421    HA   THR  51           HA       THR  51  11.120  -0.354  -6.105
  422    HB   THR  51           HB       THR  51  13.049   1.644  -4.905
  423    HG1  THR  51           HG1      THR  51  12.565   2.947  -6.571
  424   1HG2  THR  51          HG21      THR  51  13.242  -0.104  -7.339
  425   2HG2  THR  51          HG22      THR  51  14.278  -0.124  -5.911
  426   3HG2  THR  51          HG23      THR  51  14.314   1.258  -7.006
  427    H    THR  52           HN       THR  52  11.549  -2.351  -5.423
  428    HA   THR  52           HA       THR  52  12.492  -2.807  -2.727
  429    HB   THR  52           HB       THR  52  11.997  -5.099  -3.089
  430    HG1  THR  52           HG1      THR  52  12.678  -5.830  -4.937
  431   1HG2  THR  52          HG21      THR  52  10.062  -3.197  -3.575
  432   2HG2  THR  52          HG22      THR  52   9.800  -4.908  -3.234
  433   3HG2  THR  52          HG23      THR  52   9.882  -4.345  -4.903
  434    H    GLU  53           HN       GLU  53  14.350  -4.006  -2.168
  435    HA   GLU  53           HA       GLU  53  16.686  -3.292  -3.552
  436   1HB   GLU  53          HB2       GLU  53  17.873  -4.593  -1.946
  437   2HB   GLU  53          HB1       GLU  53  16.501  -3.884  -1.106
  438   1HG   GLU  53          HG2       GLU  53  16.477  -6.676  -2.215
  439   2HG   GLU  53          HG1       GLU  53  17.003  -6.288  -0.577
  440    H    ASP  54           HN       ASP  54  14.683  -6.170  -3.657
  441    HA   ASP  54           HA       ASP  54  16.402  -7.913  -4.986
  442   1HB   ASP  54          HB1       ASP  54  13.937  -8.195  -4.037
  443   2HB   ASP  54          HB2       ASP  54  13.508  -7.899  -5.721
  444    H    GLY  55           HN       GLY  55  14.528  -5.218  -6.172
  445   1HA   GLY  55          HA2       GLY  55  15.498  -4.128  -8.168
  446   2HA   GLY  55          HA1       GLY  55  15.616  -5.733  -8.870
  447    H    LYS  56           HN       LYS  56  12.820  -4.889  -7.004
  448    HA   LYS  56           HA       LYS  56  11.230  -4.894  -9.476
  449   1HB   LYS  56          HB1       LYS  56  10.007  -5.218  -6.764
  450   2HB   LYS  56          HB2       LYS  56   9.478  -5.864  -8.312
  451   1HG   LYS  56          HG1       LYS  56  11.988  -6.811  -6.971
  452   2HG   LYS  56          HG2       LYS  56  10.407  -7.512  -6.621
  453   1HD   LYS  56          HD1       LYS  56  10.185  -8.407  -8.740
  454   2HD   LYS  56          HD2       LYS  56  11.315  -7.255  -9.455
  455   1HE   LYS  56          HE2       LYS  56  12.982  -8.698  -9.214
  456   2HE   LYS  56          HE1       LYS  56  12.687  -8.780  -7.477
  457   1HZ   LYS  56          HZ1       LYS  56  11.644 -10.528  -9.609
  458   2HZ   LYS  56          HZ2       LYS  56  10.827 -10.398  -8.134
  459   3HZ   LYS  56          HZ3       LYS  56  12.423 -10.954  -8.170
  460    H    LYS  57           HN       LYS  57   8.998  -3.690  -8.977
  461    HA   LYS  57           HA       LYS  57   9.324  -1.262  -7.469
  462   1HB   LYS  57          HB2       LYS  57  10.146  -1.256 -10.149
  463   2HB   LYS  57          HB1       LYS  57   8.571  -0.473 -10.145
  464   1HG   LYS  57          HG2       LYS  57   9.307   1.181  -8.604
  465   2HG   LYS  57          HG1       LYS  57  10.816   0.316  -8.309
  466   1HD   LYS  57          HD2       LYS  57  10.191   1.116 -11.101
  467   2HD   LYS  57          HD1       LYS  57  10.687   2.377  -9.970
  468   1HE   LYS  57          HE1       LYS  57  12.768   1.363  -9.582
  469   2HE   LYS  57          HE2       LYS  57  12.246  -0.169 -10.283
  470   1HZ   LYS  57          HZ1       LYS  57  11.977   1.788 -12.247
  471   2HZ   LYS  57          HZ2       LYS  57  13.071   0.498 -12.208
  472   3HZ   LYS  57          HZ3       LYS  57  13.506   1.996 -11.553
  473    H    TYR  58           HN       TYR  58   7.405  -0.650  -6.682
  474    HA   TYR  58           HA       TYR  58   4.987  -1.595  -8.075
  475   1HB   TYR  58          HB2       TYR  58   4.938  -1.124  -5.128
  476   2HB   TYR  58          HB1       TYR  58   3.984  -2.238  -6.098
  477    HD1  TYR  58           HD1      TYR  58   5.594  -4.073  -7.342
  478    HD2  TYR  58           HD2      TYR  58   6.374  -2.112  -3.649
  479    HE1  TYR  58           HE1      TYR  58   7.072  -5.923  -6.680
  480    HE2  TYR  58           HE2      TYR  58   7.854  -3.955  -2.975
  481    HH   TYR  58           HH       TYR  58   8.154  -6.874  -4.909
  482    H    VAL  59           HN       VAL  59   3.990   0.089  -8.955
  483    HA   VAL  59           HA       VAL  59   4.051   2.670  -7.555
  484    HB   VAL  59           HB       VAL  59   3.116   3.581  -9.707
  485   1HG1  VAL  59          HG11      VAL  59   5.822   2.306  -9.544
  486   2HG1  VAL  59          HG12      VAL  59   5.379   4.003  -9.361
  487   3HG1  VAL  59          HG13      VAL  59   5.338   3.248 -10.955
  488   1HG2  VAL  59          HG21      VAL  59   4.099   1.303 -11.256
  489   2HG2  VAL  59          HG22      VAL  59   2.657   2.293 -11.483
  490   3HG2  VAL  59          HG23      VAL  59   2.640   0.962 -10.325
  491    H    ILE  60           HN       ILE  60   2.365   3.070  -6.294
  492    HA   ILE  60           HA       ILE  60  -0.292   2.124  -7.153
  493    HB   ILE  60           HB       ILE  60  -0.823   1.912  -4.687
  494   1HG1  ILE  60          HG11      ILE  60   2.074   1.495  -4.167
  495   2HG1  ILE  60          HG12      ILE  60   1.520   3.163  -4.257
  496   1HG2  ILE  60          HG21      ILE  60  -0.655  -0.105  -5.814
  497   2HG2  ILE  60          HG22      ILE  60   0.528  -0.286  -4.519
  498   3HG2  ILE  60          HG23      ILE  60   1.063   0.112  -6.151
  499   1HD1  ILE  60          HD11      ILE  60   0.972   1.087  -2.235
  500   2HD1  ILE  60          HD12      ILE  60  -0.335   2.210  -2.611
  501   3HD1  ILE  60          HD13      ILE  60   1.219   2.824  -2.048
  502    H    GLU  61           HN       GLU  61  -1.603   3.787  -7.529
  503    HA   GLU  61           HA       GLU  61  -1.512   6.084  -5.714
  504   1HB   GLU  61          HB2       GLU  61  -0.185   6.682  -7.694
  505   2HB   GLU  61          HB1       GLU  61  -1.554   6.299  -8.729
  506   1HG   GLU  61          HG1       GLU  61  -2.806   8.059  -7.304
  507   2HG   GLU  61          HG2       GLU  61  -1.186   8.593  -6.856
  508    H    LYS  62           HN       LYS  62  -3.419   6.759  -5.070
  509    HA   LYS  62           HA       LYS  62  -5.659   6.765  -4.709
  510   1HB   LYS  62          HB2       LYS  62  -5.039   7.832  -7.279
  511   2HB   LYS  62          HB1       LYS  62  -6.598   7.024  -7.380
  512   1HG   LYS  62          HG1       LYS  62  -5.790   9.299  -5.600
  513   2HG   LYS  62          HG2       LYS  62  -7.068   9.251  -6.817
  514   1HD   LYS  62          HD1       LYS  62  -7.670   7.186  -5.032
  515   2HD   LYS  62          HD2       LYS  62  -7.171   8.544  -4.022
  516   1HE   LYS  62          HE1       LYS  62  -8.851   9.932  -4.844
  517   2HE   LYS  62          HE2       LYS  62  -9.114   8.923  -6.266
  518   1HZ   LYS  62          HZ1       LYS  62  -9.939   7.178  -4.702
  519   2HZ   LYS  62          HZ2       LYS  62 -10.916   8.555  -4.802
  520   3HZ   LYS  62          HZ3       LYS  62  -9.898   8.334  -3.469
  521    H    GLY  63           HN       GLY  63  -6.684   5.032  -4.047
  522   1HA   GLY  63          HA2       GLY  63  -7.837   3.053  -4.053
  523   2HA   GLY  63          HA1       GLY  63  -8.381   3.553  -5.645
  524    H    ASP  64           HN       ASP  64  -5.455   2.205  -4.126
  525    HA   ASP  64           HA       ASP  64  -5.492   0.033  -6.062
  526   1HB   ASP  64          HB2       ASP  64  -4.098   1.872  -7.061
  527   2HB   ASP  64          HB1       ASP  64  -3.006   1.714  -5.689
  528    H    LEU  65           HN       LEU  65  -5.139  -1.806  -5.034
  529    HA   LEU  65           HA       LEU  65  -3.690  -1.700  -2.477
  530   1HB   LEU  65          HB1       LEU  65  -4.935  -4.100  -2.411
  531   2HB   LEU  65          HB2       LEU  65  -5.570  -2.634  -1.702
  532    HG   LEU  65           HG       LEU  65  -6.852  -2.263  -3.829
  533   1HD1  LEU  65          HD11      LEU  65  -6.103  -5.119  -4.420
  534   2HD1  LEU  65          HD12      LEU  65  -5.365  -3.726  -5.214
  535   3HD1  LEU  65          HD13      LEU  65  -7.091  -4.038  -5.404
  536   1HD2  LEU  65          HD21      LEU  65  -7.267  -4.368  -1.828
  537   2HD2  LEU  65          HD22      LEU  65  -8.234  -4.538  -3.291
  538   3HD2  LEU  65          HD23      LEU  65  -8.332  -3.059  -2.335
  539    H    VAL  66           HN       VAL  66  -2.046  -3.103  -2.070
  540    HA   VAL  66           HA       VAL  66  -1.263  -4.961  -4.206
  541    HB   VAL  66           HB       VAL  66   0.587  -3.038  -2.788
  542   1HG1  VAL  66          HG21      VAL  66   1.127  -5.265  -4.737
  543   2HG1  VAL  66          HG22      VAL  66   1.785  -5.053  -3.114
  544   3HG1  VAL  66          HG23      VAL  66   2.275  -3.965  -4.413
  545   1HG2  VAL  66          HG11      VAL  66  -0.319  -3.190  -5.659
  546   2HG2  VAL  66          HG12      VAL  66   0.952  -2.129  -5.055
  547   3HG2  VAL  66          HG13      VAL  66  -0.706  -1.924  -4.491
  548    H    THR  67           HN       THR  67   0.001  -6.738  -3.552
  549    HA   THR  67           HA       THR  67  -0.218  -7.356  -0.683
  550    HB   THR  67           HB       THR  67   0.089  -9.170  -3.086
  551    HG1  THR  67           HG1      THR  67  -2.038  -9.029  -1.228
  552   1HG2  THR  67          HG21      THR  67  -0.018  -9.861  -0.169
  553   2HG2  THR  67          HG22      THR  67   1.242 -10.264  -1.335
  554   3HG2  THR  67          HG23      THR  67  -0.351 -11.011  -1.463
  555    H    PHE  68           HN       PHE  68   1.557  -8.334   0.398
  556    HA   PHE  68           HA       PHE  68   4.128  -8.290  -0.976
  557   1HB   PHE  68          HB2       PHE  68   3.644  -6.773   1.592
  558   2HB   PHE  68          HB1       PHE  68   5.192  -6.951   0.776
  559    HD1  PHE  68           HD1      PHE  68   1.795  -5.525   0.430
  560    HD2  PHE  68           HD2      PHE  68   5.826  -5.489  -0.935
  561    HE1  PHE  68           HE1      PHE  68   1.329  -3.496  -0.880
  562    HE2  PHE  68           HE2      PHE  68   5.366  -3.460  -2.247
  563    HZ   PHE  68           HZ       PHE  68   3.117  -2.460  -2.221
  564    HA   PRO  69           HA       PRO  69   4.673 -11.784   1.685
  565   1HB   PRO  69          HB1       PRO  69   7.153 -12.467   0.951
  566   2HB   PRO  69          HB2       PRO  69   5.801 -12.570  -0.175
  567   1HG   PRO  69          HG1       PRO  69   7.991 -10.574  -0.029
  568   2HG   PRO  69          HG2       PRO  69   7.109 -11.179  -1.440
  569   1HD   PRO  69          HD2       PRO  69   6.650  -8.753  -0.067
  570   2HD   PRO  69          HD1       PRO  69   5.633  -9.473  -1.328
  571    H    LYS  70           HN       LYS  70   5.398 -12.239   3.703
  572    HA   LYS  70           HA       LYS  70   6.490 -10.360   5.392
  573   1HB   LYS  70          HB1       LYS  70   5.427 -12.436   6.166
  574   2HB   LYS  70          HB2       LYS  70   6.799 -13.363   5.575
  575   1HG   LYS  70          HG1       LYS  70   8.251 -12.121   7.160
  576   2HG   LYS  70          HG2       LYS  70   6.803 -11.349   7.812
  577   1HD   LYS  70          HD2       LYS  70   6.987 -14.332   7.652
  578   2HD   LYS  70          HD1       LYS  70   7.751 -13.460   8.982
  579   1HE   LYS  70          HE2       LYS  70   5.732 -13.747   9.950
  580   2HE   LYS  70          HE1       LYS  70   5.332 -12.303   9.020
  581   1HZ   LYS  70          HZ1       LYS  70   4.242 -13.563   7.404
  582   2HZ   LYS  70          HZ2       LYS  70   3.750 -14.260   8.865
  583   3HZ   LYS  70          HZ3       LYS  70   4.931 -15.019   7.921
  584    H    GLY  71           HN       GLY  71   8.445  -9.488   5.640
  585   1HA   GLY  71          HA2       GLY  71  10.850  -9.770   5.859
  586   2HA   GLY  71          HA1       GLY  71  10.772 -10.936   4.546
  587    H    LEU  72           HN       LEU  72   8.871  -9.204   3.047
  588    HA   LEU  72           HA       LEU  72  10.467  -7.986   1.233
  589   1HB   LEU  72          HB2       LEU  72   7.895  -8.221   1.332
  590   2HB   LEU  72          HB1       LEU  72   7.919  -6.656   2.117
  591    HG   LEU  72           HG       LEU  72   7.498  -6.089  -0.075
  592   1HD1  LEU  72          HD11      LEU  72   9.544  -4.943   0.818
  593   2HD1  LEU  72          HD12      LEU  72   9.388  -4.963  -0.938
  594   3HD1  LEU  72          HD13      LEU  72  10.501  -6.073  -0.141
  595   1HD2  LEU  72          HD21      LEU  72   9.411  -7.392  -1.687
  596   2HD2  LEU  72          HD22      LEU  72   7.662  -7.626  -1.664
  597   3HD2  LEU  72          HD23      LEU  72   8.698  -8.617  -0.637
  598    H    ARG  73           HN       ARG  73  11.862  -6.353   1.198
  599    HA   ARG  73           HA       ARG  73  11.512  -4.150   3.114
  600   1HB   ARG  73          HB1       ARG  73  13.386  -5.819   3.688
  601   2HB   ARG  73          HB2       ARG  73  14.228  -5.162   2.292
  602   1HG   ARG  73          HG1       ARG  73  13.557  -2.889   3.615
  603   2HG   ARG  73          HG2       ARG  73  13.809  -4.015   4.952
  604   1HD   ARG  73          HD2       ARG  73  16.028  -4.185   4.567
  605   2HD   ARG  73          HD1       ARG  73  15.838  -4.090   2.817
  606    HE   ARG  73           HE       ARG  73  15.257  -1.578   3.880
  607   1HH1  ARG  73          HH21      ARG  73  17.969  -3.737   3.556
  608   2HH1  ARG  73          HH22      ARG  73  19.143  -2.466   3.518
  609   1HH2  ARG  73          HH12      ARG  73  16.795   0.106   3.831
  610   2HH2  ARG  73          HH11      ARG  73  18.476  -0.280   3.674
  611    H    CYS  74           HN       CYS  74  11.079  -2.383   1.977
  612    HA   CYS  74           HA       CYS  74  12.785  -1.666  -0.270
  613   1HB   CYS  74          HB2       CYS  74  10.764  -1.075  -1.655
  614   2HB   CYS  74          HB1       CYS  74  11.038  -2.800  -1.439
  615    HG   CYS  74           HG       CYS  74   8.574  -2.561  -0.989
  616    H    ARG  75           HN       ARG  75  12.521   0.585  -0.933
  617    HA   ARG  75           HA       ARG  75  11.930   2.263   1.377
  618   1HB   ARG  75          HB1       ARG  75  14.070   2.619   0.326
  619   2HB   ARG  75          HB2       ARG  75  13.317   2.821  -1.249
  620   1HG   ARG  75          HG2       ARG  75  13.894   4.979  -0.510
  621   2HG   ARG  75          HG1       ARG  75  12.146   4.841  -0.300
  622   1HD   ARG  75          HD2       ARG  75  12.695   5.734   1.723
  623   2HD   ARG  75          HD1       ARG  75  12.858   4.020   2.107
  624    HE   ARG  75           HE       ARG  75  15.338   4.843   1.224
  625   1HH1  ARG  75          HH12      ARG  75  13.154   5.666   3.808
  626   2HH1  ARG  75          HH11      ARG  75  14.414   6.135   4.900
  627   1HH2  ARG  75          HH22      ARG  75  17.006   5.458   2.652
  628   2HH2  ARG  75          HH21      ARG  75  16.606   6.017   4.242
  629    H    TRP  76           HN       TRP  76  10.208   3.529   1.548
  630    HA   TRP  76           HA       TRP  76   8.428   3.782  -0.774
  631   1HB   TRP  76          HB2       TRP  76   7.989   3.851   2.190
  632   2HB   TRP  76          HB1       TRP  76   6.833   4.638   1.121
  633    HD1  TRP  76           HD1      TRP  76   8.577   1.237   0.512
  634    HE1  TRP  76           HE1      TRP  76   6.751  -0.558   0.256
  635    HE3  TRP  76           HE3      TRP  76   4.465   4.111   1.508
  636    HZ2  TRP  76           HZ2      TRP  76   3.940  -0.734   0.450
  637    HZ3  TRP  76           HZ3      TRP  76   2.245   3.051   1.452
  638    HH2  TRP  76           HH2      TRP  76   1.990   0.678   0.934
  639    H    LYS  77           HN       LYS  77   7.689   5.771  -1.466
  640    HA   LYS  77           HA       LYS  77   8.580   8.185  -0.109
  641   1HB   LYS  77          HB1       LYS  77   9.205   8.592  -2.864
  642   2HB   LYS  77          HB2       LYS  77  10.275   8.689  -1.475
  643   1HG   LYS  77          HG2       LYS  77  11.104   6.575  -1.787
  644   2HG   LYS  77          HG1       LYS  77   9.659   6.013  -2.630
  645   1HD   LYS  77          HD2       LYS  77  10.329   7.648  -4.482
  646   2HD   LYS  77          HD1       LYS  77  11.898   7.722  -3.675
  647   1HE   LYS  77          HE1       LYS  77  10.972   4.995  -4.034
  648   2HE   LYS  77          HE2       LYS  77  11.103   5.862  -5.565
  649   1HZ   LYS  77          HZ1       LYS  77  13.153   4.717  -4.101
  650   2HZ   LYS  77          HZ2       LYS  77  13.365   6.389  -3.954
  651   3HZ   LYS  77          HZ3       LYS  77  13.294   5.677  -5.487
  652    H    VAL  78           HN       VAL  78   6.804   9.319   0.045
  653    HA   VAL  78           HA       VAL  78   4.659   9.043  -1.863
  654    HB   VAL  78           HB       VAL  78   4.806  10.939   0.475
  655   1HG1  VAL  78          HG11      VAL  78   2.969  10.800  -1.528
  656   2HG1  VAL  78          HG12      VAL  78   2.649  11.411   0.095
  657   3HG1  VAL  78          HG13      VAL  78   2.254   9.741  -0.313
  658   1HG2  VAL  78          HG21      VAL  78   3.255   8.536   0.912
  659   2HG2  VAL  78          HG22      VAL  78   4.510   9.265   1.915
  660   3HG2  VAL  78          HG23      VAL  78   4.953   8.170   0.606
  661    H    LEU  79           HN       LEU  79   4.005  10.517  -3.366
  662    HA   LEU  79           HA       LEU  79   5.822  12.772  -3.855
  663   1HB   LEU  79          HB2       LEU  79   3.803  11.414  -5.642
  664   2HB   LEU  79          HB1       LEU  79   4.719  12.834  -6.103
  665    HG   LEU  79           HG       LEU  79   6.804  11.574  -5.941
  666   1HD1  LEU  79          HD21      LEU  79   6.402  10.018  -4.216
  667   2HD1  LEU  79          HD22      LEU  79   6.611   9.063  -5.684
  668   3HD1  LEU  79          HD23      LEU  79   4.993   9.350  -5.043
  669   1HD2  LEU  79          HD11      LEU  79   4.602  10.824  -7.727
  670   2HD2  LEU  79          HD12      LEU  79   5.930   9.665  -7.655
  671   3HD2  LEU  79          HD13      LEU  79   6.245  11.342  -8.102
  672    H    GLU  80           HN       GLU  80   2.533  11.936  -3.144
  673    HA   GLU  80           HA       GLU  80   1.928  14.752  -2.648
  674   1HB   GLU  80          HB2       GLU  80   0.168  12.887  -4.255
  675   2HB   GLU  80          HB1       GLU  80  -0.329  14.468  -3.666
  676   1HG   GLU  80          HG1       GLU  80   0.392  15.297  -5.587
  677   2HG   GLU  80          HG2       GLU  80   2.031  14.961  -5.030
  678    HA   PRO  81           HA       PRO  81   0.191  13.683   1.273
  679   1HB   PRO  81          HB2       PRO  81  -2.391  14.529  -0.015
  680   2HB   PRO  81          HB1       PRO  81  -1.802  14.856   1.621
  681   1HG   PRO  81          HG2       PRO  81  -1.546  16.702  -0.273
  682   2HG   PRO  81          HG1       PRO  81  -0.233  16.419   0.879
  683   1HD   PRO  81          HD1       PRO  81  -0.405  15.718  -1.997
  684   2HD   PRO  81          HD2       PRO  81   1.025  16.029  -0.993
  685    H    VAL  82           HN       VAL  82  -0.017  11.625   1.827
  686    HA   VAL  82           HA       VAL  82  -1.559   9.857   0.099
  687    HB   VAL  82           HB       VAL  82   0.993   9.655   1.225
  688   1HG1  VAL  82          HG21      VAL  82   1.084   7.726   2.572
  689   2HG1  VAL  82          HG22      VAL  82  -0.623   7.367   2.315
  690   3HG1  VAL  82          HG23      VAL  82  -0.152   8.755   3.295
  691   1HG2  VAL  82          HG11      VAL  82   1.136   7.628  -0.054
  692   2HG2  VAL  82          HG12      VAL  82   0.173   8.807  -0.943
  693   3HG2  VAL  82          HG13      VAL  82  -0.620   7.482  -0.092
  694    H    ARG  83           HN       ARG  83  -3.257   8.733   0.701
  695    HA   ARG  83           HA       ARG  83  -3.946   8.497   3.528
  696   1HB   ARG  83          HB2       ARG  83  -5.595   9.784   1.401
  697   2HB   ARG  83          HB1       ARG  83  -6.417   8.816   2.617
  698   1HG   ARG  83          HG1       ARG  83  -4.540  10.603   3.860
  699   2HG   ARG  83          HG2       ARG  83  -5.644  11.490   2.806
  700   1HD   ARG  83          HD1       ARG  83  -6.526   9.498   4.887
  701   2HD   ARG  83          HD2       ARG  83  -6.434  11.236   5.162
  702    HE   ARG  83           HE       ARG  83  -8.452   9.821   3.685
  703   1HH1  ARG  83          HH12      ARG  83  -6.840  12.875   4.128
  704   2HH1  ARG  83          HH11      ARG  83  -8.157  13.809   3.501
  705   1HH2  ARG  83          HH21      ARG  83 -10.194  11.040   2.859
  706   2HH2  ARG  83          HH22      ARG  83 -10.065  12.766   2.779
  707    H    LYS  84           HN       LYS  84  -3.899   6.328   3.820
  708    HA   LYS  84           HA       LYS  84  -5.270   4.688   1.805
  709   1HB   LYS  84          HB2       LYS  84  -3.490   3.258   1.487
  710   2HB   LYS  84          HB1       LYS  84  -2.660   4.792   1.683
  711   1HG   LYS  84          HG1       LYS  84  -2.584   4.041   4.206
  712   2HG   LYS  84          HG2       LYS  84  -2.761   2.437   3.488
  713   1HD   LYS  84          HD1       LYS  84  -0.766   4.150   2.181
  714   2HD   LYS  84          HD2       LYS  84  -0.388   3.725   3.853
  715   1HE   LYS  84          HE2       LYS  84   0.577   1.995   2.649
  716   2HE   LYS  84          HE1       LYS  84  -0.977   1.319   3.135
  717   1HZ   LYS  84          HZ1       LYS  84  -1.859   1.782   0.969
  718   2HZ   LYS  84          HZ2       LYS  84  -0.428   0.899   0.790
  719   3HZ   LYS  84          HZ3       LYS  84  -0.437   2.565   0.495
  720    H    HIS  85           HN       HIS  85  -5.935   2.601   2.479
  721    HA   HIS  85           HA       HIS  85  -6.590   2.488   5.333
  722   1HB   HIS  85          HB1       HIS  85  -7.814   1.115   2.935
  723   2HB   HIS  85          HB2       HIS  85  -8.282   0.779   4.599
  724    HD1  HIS  85           HD1      HIS  85 -10.428   1.907   5.051
  725    HD2  HIS  85           HD2      HIS  85  -7.908   4.251   2.729
  726    HE1  HIS  85           HE1      HIS  85 -11.659   4.073   4.707
  727    HE2  HIS  85           HE2      HIS  85 -10.114   5.480   3.299
  728    H    TYR  86           HN       TYR  86  -6.593   0.264   6.314
  729    HA   TYR  86           HA       TYR  86  -4.225  -1.194   5.339
  730   1HB   TYR  86          HB2       TYR  86  -5.177  -0.585   8.123
  731   2HB   TYR  86          HB1       TYR  86  -3.962  -1.812   7.801
  732    HD1  TYR  86           HD1      TYR  86  -4.514   1.564   8.562
  733    HD2  TYR  86           HD2      TYR  86  -1.907  -0.993   6.385
  734    HE1  TYR  86           HE1      TYR  86  -2.785   3.300   8.618
  735    HE2  TYR  86           HE2      TYR  86  -0.163   0.734   6.431
  736    HH   TYR  86           HH       TYR  86  -0.218   3.354   8.463
  737    H    ASN  87           HN       ASN  87  -4.033  -3.422   5.958
  738    HA   ASN  87           HA       ASN  87  -6.284  -4.939   6.840
  739   1HB   ASN  87          HB1       ASN  87  -7.015  -4.533   4.534
  740   2HB   ASN  87          HB2       ASN  87  -5.480  -5.147   3.925
  741   1HD2  ASN  87          HD22      ASN  87  -8.445  -5.978   3.827
  742   2HD2  ASN  87          HD21      ASN  87  -8.387  -7.674   4.143
  743    H    LEU  88           HN       LEU  88  -4.397  -5.314   8.268
  744    HA   LEU  88           HA       LEU  88  -2.366  -7.100   7.139
  745   1HB   LEU  88          HB1       LEU  88  -2.403  -5.959   9.926
  746   2HB   LEU  88          HB2       LEU  88  -1.045  -6.661   9.069
  747    HG   LEU  88           HG       LEU  88  -1.216  -4.705   7.454
  748   1HD1  LEU  88          HD11      LEU  88  -2.265  -2.682   8.755
  749   2HD1  LEU  88          HD12      LEU  88  -3.272  -3.947   9.458
  750   3HD1  LEU  88          HD13      LEU  88  -3.248  -3.709   7.710
  751   1HD2  LEU  88          HD21      LEU  88   0.359  -5.008   9.485
  752   2HD2  LEU  88          HD22      LEU  88  -0.641  -3.760  10.230
  753   3HD2  LEU  88          HD23      LEU  88   0.222  -3.420   8.730
  754    H    PHE  89           HN       PHE  89  -1.924  -9.137   8.031
  755    HA   PHE  89           HA       PHE  89  -4.225 -10.337   9.389
  756   1HB   PHE  89          HB2       PHE  89  -1.863 -11.662   8.035
  757   2HB   PHE  89          HB1       PHE  89  -3.269 -12.491   8.692
  758    HD1  PHE  89           HD1      PHE  89  -5.112 -10.096   7.615
  759    HD2  PHE  89           HD2      PHE  89  -2.294 -12.775   5.885
  760    HE1  PHE  89           HE1      PHE  89  -6.253  -9.891   5.446
  761    HE2  PHE  89           HE2      PHE  89  -3.430 -12.574   3.713
  762    HZ   PHE  89           HZ       PHE  89  -5.413 -11.130   3.491
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1   8.853 -10.493  -6.303
    2   2H    MET   1          HT2       MET   1   7.918  -9.113  -5.892
    3   3H    MET   1          HT3       MET   1   7.154 -10.508  -6.537
    4    HA   MET   1           HA       MET   1   8.112 -11.704  -4.552
    5   1HB   MET   1          HB2       MET   1   8.529  -8.802  -3.927
    6   2HB   MET   1          HB1       MET   1   8.149  -9.916  -2.622
    7   1HG   MET   1          HG1       MET   1  10.378 -10.508  -4.521
    8   2HG   MET   1          HG2       MET   1  10.614  -9.402  -3.169
    9   1HE   MET   1          HE1       MET   1  12.140 -13.147  -2.680
   10   2HE   MET   1          HE2       MET   1  12.684 -11.520  -2.274
   11   3HE   MET   1          HE3       MET   1  12.157 -11.889  -3.916
   12    H    GLU   2           HN       GLU   2   5.815 -11.880  -5.692
   13    HA   GLU   2           HA       GLU   2   3.543 -11.907  -5.499
   14   1HB   GLU   2          HB2       GLU   2   4.542 -13.048  -3.324
   15   2HB   GLU   2          HB1       GLU   2   3.786 -11.671  -2.534
   16   1HG   GLU   2          HG2       GLU   2   1.794 -12.623  -2.654
   17   2HG   GLU   2          HG1       GLU   2   1.956 -12.853  -4.395
   18    H    VAL   3           HN       VAL   3   4.367  -9.416  -6.102
   19    HA   VAL   3           HA       VAL   3   2.666  -7.684  -4.430
   20    HB   VAL   3           HB       VAL   3   4.827  -6.567  -6.169
   21   1HG1  VAL   3          HG21      VAL   3   4.811  -4.908  -4.194
   22   2HG1  VAL   3          HG22      VAL   3   3.283  -5.674  -3.772
   23   3HG1  VAL   3          HG23      VAL   3   3.466  -4.880  -5.336
   24   1HG2  VAL   3          HG11      VAL   3   6.202  -6.541  -3.972
   25   2HG2  VAL   3          HG12      VAL   3   6.187  -8.003  -4.956
   26   3HG2  VAL   3          HG13      VAL   3   5.177  -7.901  -3.514
   27    H    LYS   4           HN       LYS   4   0.803  -7.272  -5.440
   28    HA   LYS   4           HA       LYS   4   0.855  -6.982  -8.371
   29   1HB   LYS   4          HB1       LYS   4  -1.297  -7.951  -8.502
   30   2HB   LYS   4          HB2       LYS   4  -0.398  -8.964  -7.384
   31   1HG   LYS   4          HG2       LYS   4  -1.743  -6.898  -5.926
   32   2HG   LYS   4          HG1       LYS   4  -2.886  -7.731  -6.981
   33   1HD   LYS   4          HD1       LYS   4  -1.901  -9.895  -6.060
   34   2HD   LYS   4          HD2       LYS   4  -1.148  -8.887  -4.821
   35   1HE   LYS   4          HE2       LYS   4  -3.272  -9.831  -4.049
   36   2HE   LYS   4          HE1       LYS   4  -3.329  -8.070  -4.127
   37   1HZ   LYS   4          HZ1       LYS   4  -4.233  -9.564  -6.472
   38   2HZ   LYS   4          HZ2       LYS   4  -4.797  -8.100  -5.840
   39   3HZ   LYS   4          HZ3       LYS   4  -5.239  -9.562  -5.113
   40    H    ILE   5           HN       ILE   5  -0.541  -5.448  -9.340
   41    HA   ILE   5           HA       ILE   5  -1.426  -3.300  -7.524
   42    HB   ILE   5           HB       ILE   5  -0.742  -2.773 -10.388
   43   1HG1  ILE   5          HG11      ILE   5   1.284  -3.764  -9.598
   44   2HG1  ILE   5          HG12      ILE   5   1.514  -2.021  -9.561
   45   1HG2  ILE   5          HG21      ILE   5  -0.123  -0.759  -8.393
   46   2HG2  ILE   5          HG22      ILE   5  -1.816  -1.251  -8.356
   47   3HG2  ILE   5          HG23      ILE   5  -1.108  -0.643  -9.852
   48   1HD1  ILE   5          HD11      ILE   5   0.556  -3.293  -7.075
   49   2HD1  ILE   5          HD12      ILE   5   1.664  -1.943  -7.311
   50   3HD1  ILE   5          HD13      ILE   5   2.223  -3.597  -7.558
   51    H    GLU   6           HN       GLU   6  -3.559  -3.116  -7.459
   52    HA   GLU   6           HA       GLU   6  -5.109  -3.317  -9.904
   53   1HB   GLU   6          HB2       GLU   6  -4.972  -5.473  -7.968
   54   2HB   GLU   6          HB1       GLU   6  -6.618  -4.881  -8.153
   55   1HG   GLU   6          HG1       GLU   6  -5.859  -5.057 -10.739
   56   2HG   GLU   6          HG2       GLU   6  -4.917  -6.367 -10.028
   57    H    LYS   7           HN       LYS   7  -7.213  -2.470  -9.752
   58    HA   LYS   7           HA       LYS   7  -7.622  -0.756  -7.398
   59   1HB   LYS   7          HB2       LYS   7  -8.629  -0.430 -10.228
   60   2HB   LYS   7          HB1       LYS   7  -9.020   0.645  -8.892
   61   1HG   LYS   7          HG1       LYS   7  -7.172   1.809  -9.233
   62   2HG   LYS   7          HG2       LYS   7  -6.183   0.354  -9.074
   63   1HD   LYS   7          HD1       LYS   7  -7.650   0.898 -11.622
   64   2HD   LYS   7          HD2       LYS   7  -6.121   1.717 -11.289
   65   1HE   LYS   7          HE1       LYS   7  -5.011  -0.428 -11.006
   66   2HE   LYS   7          HE2       LYS   7  -6.538  -1.270 -11.271
   67   1HZ   LYS   7          HZ1       LYS   7  -5.477   0.571 -13.314
   68   2HZ   LYS   7          HZ2       LYS   7  -6.549  -0.725 -13.501
   69   3HZ   LYS   7          HZ3       LYS   7  -4.906  -1.018 -13.219
   70    HA   PRO   8           HA       PRO   8 -10.794  -3.954  -6.699
   71   1HB   PRO   8          HB1       PRO   8 -11.666  -2.613  -4.378
   72   2HB   PRO   8          HB2       PRO   8 -10.565  -3.990  -4.455
   73   1HG   PRO   8          HG2       PRO   8  -9.965  -1.094  -4.177
   74   2HG   PRO   8          HG1       PRO   8  -9.074  -2.493  -3.550
   75   1HD   PRO   8          HD2       PRO   8  -8.182  -1.076  -5.637
   76   2HD   PRO   8          HD1       PRO   8  -7.957  -2.833  -5.543
   77    H    THR   9           HN       THR   9 -12.711  -3.948  -7.617
   78    HA   THR   9           HA       THR   9 -14.041  -1.443  -8.229
   79    HB   THR   9           HB       THR   9 -14.113  -2.861 -10.075
   80    HG1  THR   9           HG1      THR   9 -16.198  -2.994 -10.386
   81   1HG2  THR   9          HG21      THR   9 -14.627  -5.097  -8.158
   82   2HG2  THR   9          HG22      THR   9 -13.341  -4.928  -9.354
   83   3HG2  THR   9          HG23      THR   9 -14.996  -5.245  -9.877
   84    HA   PRO  10           HA       PRO  10 -17.171  -1.085  -5.165
   85   1HB   PRO  10          HB1       PRO  10 -19.389  -1.574  -6.921
   86   2HB   PRO  10          HB2       PRO  10 -18.818  -0.029  -6.291
   87   1HG   PRO  10          HG2       PRO  10 -18.294  -1.307  -8.903
   88   2HG   PRO  10          HG1       PRO  10 -18.257   0.408  -8.461
   89   1HD   PRO  10          HD2       PRO  10 -16.004  -0.960  -8.955
   90   2HD   PRO  10          HD1       PRO  10 -16.070   0.294  -7.698
   91    H    GLU  11           HN       GLU  11 -17.316  -3.781  -7.420
   92    HA   GLU  11           HA       GLU  11 -19.074  -5.382  -5.836
   93   1HB   GLU  11          HB1       GLU  11 -17.146  -6.180  -8.028
   94   2HB   GLU  11          HB2       GLU  11 -18.402  -7.211  -7.353
   95   1HG   GLU  11          HG1       GLU  11 -20.095  -5.586  -8.138
   96   2HG   GLU  11          HG2       GLU  11 -18.802  -4.666  -8.906
   97    H    LYS  12           HN       LYS  12 -15.558  -5.367  -6.371
   98    HA   LYS  12           HA       LYS  12 -15.074  -7.438  -4.454
   99   1HB   LYS  12          HB1       LYS  12 -13.493  -5.797  -6.295
  100   2HB   LYS  12          HB2       LYS  12 -12.671  -6.122  -4.774
  101   1HG   LYS  12          HG1       LYS  12 -12.115  -8.130  -5.508
  102   2HG   LYS  12          HG2       LYS  12 -13.822  -8.553  -5.654
  103   1HD   LYS  12          HD1       LYS  12 -13.195  -8.857  -7.822
  104   2HD   LYS  12          HD2       LYS  12 -13.585  -7.136  -7.889
  105   1HE   LYS  12          HE1       LYS  12 -11.510  -6.694  -8.534
  106   2HE   LYS  12          HE2       LYS  12 -10.902  -7.369  -7.023
  107   1HZ   LYS  12          HZ1       LYS  12 -10.240  -9.231  -8.037
  108   2HZ   LYS  12          HZ2       LYS  12 -10.361  -8.343  -9.473
  109   3HZ   LYS  12          HZ3       LYS  12 -11.634  -9.348  -8.988
  110    H    LEU  13           HN       LEU  13 -15.266  -3.971  -4.412
  111    HA   LEU  13           HA       LEU  13 -13.918  -3.463  -1.997
  112   1HB   LEU  13          HB2       LEU  13 -16.160  -1.989  -3.376
  113   2HB   LEU  13          HB1       LEU  13 -15.338  -1.380  -1.952
  114    HG   LEU  13           HG       LEU  13 -13.826  -2.070  -4.458
  115   1HD1  LEU  13          HD11      LEU  13 -14.744  -0.364  -5.537
  116   2HD1  LEU  13          HD12      LEU  13 -14.134   0.720  -4.286
  117   3HD1  LEU  13          HD13      LEU  13 -15.749   0.025  -4.141
  118   1HD2  LEU  13          HD21      LEU  13 -12.808  -1.628  -2.094
  119   2HD2  LEU  13          HD22      LEU  13 -13.123   0.061  -2.494
  120   3HD2  LEU  13          HD23      LEU  13 -12.075  -0.908  -3.527
  121    H    LYS  14           HN       LYS  14 -17.136  -4.623  -2.686
  122    HA   LYS  14           HA       LYS  14 -18.421  -4.047  -0.282
  123   1HB   LYS  14          HB2       LYS  14 -18.765  -6.073  -2.425
  124   2HB   LYS  14          HB1       LYS  14 -19.561  -6.401  -0.891
  125   1HG   LYS  14          HG1       LYS  14 -20.452  -3.975  -1.127
  126   2HG   LYS  14          HG2       LYS  14 -20.034  -4.182  -2.830
  127   1HD   LYS  14          HD1       LYS  14 -21.580  -6.356  -1.535
  128   2HD   LYS  14          HD2       LYS  14 -22.425  -4.838  -1.851
  129   1HE   LYS  14          HE2       LYS  14 -22.075  -4.990  -4.162
  130   2HE   LYS  14          HE1       LYS  14 -20.811  -6.205  -3.978
  131   1HZ   LYS  14          HZ1       LYS  14 -23.726  -6.526  -3.842
  132   2HZ   LYS  14          HZ2       LYS  14 -22.746  -7.586  -2.960
  133   3HZ   LYS  14          HZ3       LYS  14 -22.577  -7.475  -4.640
  134    H    GLU  15           HN       GLU  15 -16.539  -6.923  -1.186
  135    HA   GLU  15           HA       GLU  15 -16.683  -8.016   1.482
  136   1HB   GLU  15          HB1       GLU  15 -14.840  -8.885  -0.746
  137   2HB   GLU  15          HB2       GLU  15 -15.373  -9.830   0.637
  138   1HG   GLU  15          HG2       GLU  15 -17.433  -8.797  -1.235
  139   2HG   GLU  15          HG1       GLU  15 -16.425 -10.147  -1.756
  140    H    LEU  16           HN       LEU  16 -14.558  -5.997  -0.354
  141    HA   LEU  16           HA       LEU  16 -12.404  -6.204   1.597
  142   1HB   LEU  16          HB2       LEU  16 -12.704  -5.133  -1.151
  143   2HB   LEU  16          HB1       LEU  16 -11.553  -4.312  -0.116
  144    HG   LEU  16           HG       LEU  16 -10.158  -6.180   0.031
  145   1HD1  LEU  16          HD11      LEU  16 -11.838  -7.830   0.639
  146   2HD1  LEU  16          HD12      LEU  16 -10.799  -8.443  -0.648
  147   3HD1  LEU  16          HD13      LEU  16 -12.424  -7.867  -1.024
  148   1HD2  LEU  16          HD21      LEU  16 -11.379  -5.989  -2.702
  149   2HD2  LEU  16          HD22      LEU  16 -10.009  -7.049  -2.364
  150   3HD2  LEU  16          HD23      LEU  16  -9.858  -5.308  -2.120
  151    H    SER  17           HN       SER  17 -15.174  -4.826   1.897
  152    HA   SER  17           HA       SER  17 -15.380  -2.214   1.988
  153   1HB   SER  17          HB1       SER  17 -15.905  -4.032   4.347
  154   2HB   SER  17          HB2       SER  17 -16.522  -2.386   4.206
  155    HG   SER  17           HG       SER  17 -18.055  -3.899   3.482
  156    H    VAL  18           HN       VAL  18 -13.416  -1.123   1.979
  157    HA   VAL  18           HA       VAL  18 -11.595  -1.213   4.178
  158    HB   VAL  18           HB       VAL  18 -10.477   0.668   3.115
  159   1HG1  VAL  18          HG21      VAL  18 -11.142  -0.870   0.707
  160   2HG1  VAL  18          HG22      VAL  18 -10.690  -1.841   2.108
  161   3HG1  VAL  18          HG23      VAL  18  -9.586  -0.608   1.497
  162   1HG2  VAL  18          HG11      VAL  18 -11.399   2.063   1.594
  163   2HG2  VAL  18          HG12      VAL  18 -12.910   1.513   2.318
  164   3HG2  VAL  18          HG13      VAL  18 -12.330   0.779   0.824
  165    H    GLU  19           HN       GLU  19 -14.556   0.385   3.598
  166    HA   GLU  19           HA       GLU  19 -14.335   2.772   4.965
  167   1HB   GLU  19          HB2       GLU  19 -16.811   2.321   5.539
  168   2HB   GLU  19          HB1       GLU  19 -16.357   2.404   3.841
  169   1HG   GLU  19          HG1       GLU  19 -17.174   0.380   3.503
  170   2HG   GLU  19          HG2       GLU  19 -16.077  -0.289   4.712
  171    H    LYS  20           HN       LYS  20 -14.299  -0.455   6.198
  172    HA   LYS  20           HA       LYS  20 -14.747   0.487   8.934
  173   1HB   LYS  20          HB2       LYS  20 -14.450  -2.138   9.304
  174   2HB   LYS  20          HB1       LYS  20 -15.982  -1.419   8.839
  175   1HG   LYS  20          HG2       LYS  20 -15.502  -1.955   6.489
  176   2HG   LYS  20          HG1       LYS  20 -13.998  -2.728   6.992
  177   1HD   LYS  20          HD2       LYS  20 -16.347  -3.667   8.455
  178   2HD   LYS  20          HD1       LYS  20 -16.417  -3.984   6.719
  179   1HE   LYS  20          HE1       LYS  20 -14.299  -5.129   6.796
  180   2HE   LYS  20          HE2       LYS  20 -14.094  -4.711   8.497
  181   1HZ   LYS  20          HZ1       LYS  20 -16.205  -5.998   8.889
  182   2HZ   LYS  20          HZ2       LYS  20 -14.857  -6.918   8.448
  183   3HZ   LYS  20          HZ3       LYS  20 -16.061  -6.580   7.308
  184    H    TRP  21           HN       TRP  21 -12.230  -0.495   6.802
  185    HA   TRP  21           HA       TRP  21 -10.344  -1.282   8.795
  186   1HB   TRP  21          HB2       TRP  21  -9.651  -0.201   6.065
  187   2HB   TRP  21          HB1       TRP  21  -8.726  -1.323   7.053
  188    HD1  TRP  21           HD1      TRP  21 -12.084  -2.649   7.240
  189    HE1  TRP  21           HE1      TRP  21 -12.498  -4.464   5.469
  190    HE3  TRP  21           HE3      TRP  21  -8.061  -1.762   4.209
  191    HZ2  TRP  21           HZ2      TRP  21 -11.277  -5.409   3.108
  192    HZ3  TRP  21           HZ3      TRP  21  -7.755  -3.171   2.215
  193    HH2  TRP  21           HH2      TRP  21  -9.332  -4.957   1.677
  194    HA   PRO  22           HA       PRO  22  -9.065   2.570  10.538
  195   1HB   PRO  22          HB2       PRO  22  -6.296   2.093  10.427
  196   2HB   PRO  22          HB1       PRO  22  -7.369   1.725  11.778
  197   1HG   PRO  22          HG1       PRO  22  -6.335  -0.057   9.639
  198   2HG   PRO  22          HG2       PRO  22  -6.709  -0.429  11.330
  199   1HD   PRO  22          HD1       PRO  22  -8.319  -1.209   9.329
  200   2HD   PRO  22          HD2       PRO  22  -8.974  -0.694  10.898
  201    H    ILE  23           HN       ILE  23  -7.282   4.308  10.076
  202    HA   ILE  23           HA       ILE  23  -6.831   4.531   7.180
  203    HB   ILE  23           HB       ILE  23  -7.849   6.797   8.897
  204   1HG1  ILE  23          HG12      ILE  23  -9.843   6.507   7.215
  205   2HG1  ILE  23          HG11      ILE  23  -9.234   4.861   7.070
  206   1HG2  ILE  23          HG21      ILE  23  -8.260   7.615   6.393
  207   2HG2  ILE  23          HG22      ILE  23  -6.861   6.577   6.115
  208   3HG2  ILE  23          HG23      ILE  23  -6.753   7.917   7.258
  209   1HD1  ILE  23          HD11      ILE  23 -10.464   4.360   8.837
  210   2HD1  ILE  23          HD12      ILE  23 -10.812   6.060   9.156
  211   3HD1  ILE  23          HD13      ILE  23  -9.346   5.324   9.802
  212    H    TRP  24           HN       TRP  24  -5.033   5.740   6.559
  213    HA   TRP  24           HA       TRP  24  -3.278   6.673   8.723
  214   1HB   TRP  24          HB1       TRP  24  -2.675   4.356   7.806
  215   2HB   TRP  24          HB2       TRP  24  -2.226   5.185   6.318
  216    HD1  TRP  24           HD1      TRP  24  -1.435   6.026  10.035
  217    HE1  TRP  24           HE1      TRP  24   1.108   6.369  10.239
  218    HE3  TRP  24           HE3      TRP  24  -0.091   5.028   5.206
  219    HZ2  TRP  24           HZ2      TRP  24   3.382   6.234   8.573
  220    HZ3  TRP  24           HZ3      TRP  24   2.288   5.157   4.592
  221    HH2  TRP  24           HH2      TRP  24   3.988   5.748   6.243
  222    H    GLU  25           HN       GLU  25  -1.860   8.350   8.193
  223    HA   GLU  25           HA       GLU  25  -2.275   9.607   5.564
  224   1HB   GLU  25          HB2       GLU  25  -1.867  11.295   8.005
  225   2HB   GLU  25          HB1       GLU  25  -2.626  11.717   6.475
  226   1HG   GLU  25          HG1       GLU  25  -4.487  10.128   7.119
  227   2HG   GLU  25          HG2       GLU  25  -3.768  10.098   8.729
  228    H    LYS  26           HN       LYS  26  -0.440  10.249   4.551
  229    HA   LYS  26           HA       LYS  26   2.011  10.509   6.130
  230   1HB   LYS  26          HB2       LYS  26   1.956   8.188   5.354
  231   2HB   LYS  26          HB1       LYS  26   1.744   8.736   3.698
  232   1HG   LYS  26          HG2       LYS  26   4.012   8.167   3.899
  233   2HG   LYS  26          HG1       LYS  26   3.959   9.930   3.949
  234   1HD   LYS  26          HD2       LYS  26   3.745   9.375   6.577
  235   2HD   LYS  26          HD1       LYS  26   4.708   7.994   6.045
  236   1HE   LYS  26          HE2       LYS  26   6.532   9.252   5.877
  237   2HE   LYS  26          HE1       LYS  26   5.692  10.417   4.853
  238   1HZ   LYS  26          HZ1       LYS  26   6.351  11.629   6.712
  239   2HZ   LYS  26          HZ2       LYS  26   5.932  10.401   7.798
  240   3HZ   LYS  26          HZ3       LYS  26   4.722  11.292   7.019
  241    H    GLU  27           HN       GLU  27   3.081  12.262   5.615
  242    HA   GLU  27           HA       GLU  27   2.376  13.928   3.413
  243   1HB   GLU  27          HB1       GLU  27   4.510  15.167   4.130
  244   2HB   GLU  27          HB2       GLU  27   3.192  15.086   5.289
  245   1HG   GLU  27          HG1       GLU  27   5.048  12.863   5.536
  246   2HG   GLU  27          HG2       GLU  27   5.814  14.434   5.764
  247    H    VAL  28           HN       VAL  28   3.828  14.639   1.747
  248    HA   VAL  28           HA       VAL  28   4.753  12.508   0.202
  249    HB   VAL  28           HB       VAL  28   5.374  14.117  -1.406
  250   1HG1  VAL  28          HG21      VAL  28   2.955  13.958  -0.717
  251   2HG1  VAL  28          HG22      VAL  28   3.417  15.395  -1.625
  252   3HG1  VAL  28          HG23      VAL  28   3.193  15.487   0.122
  253   1HG2  VAL  28          HG11      VAL  28   5.138  16.634  -0.182
  254   2HG2  VAL  28          HG12      VAL  28   6.592  15.897  -0.856
  255   3HG2  VAL  28          HG13      VAL  28   6.203  15.678   0.849
  256    H    SER  29           HN       SER  29   6.270  12.098   2.524
  257    HA   SER  29           HA       SER  29   8.957  13.071   1.942
  258   1HB   SER  29          HB1       SER  29   8.107  13.150   4.291
  259   2HB   SER  29          HB2       SER  29   8.008  11.389   4.275
  260    HG   SER  29           HG       SER  29  10.387  12.847   3.773
  261    H    GLU  30           HN       GLU  30  10.362  10.889   3.033
  262    HA   GLU  30           HA       GLU  30   9.628   8.556   1.453
  263   1HB   GLU  30          HB2       GLU  30  12.307   9.938   1.183
  264   2HB   GLU  30          HB1       GLU  30  11.913   8.363   0.506
  265   1HG   GLU  30          HG1       GLU  30  11.540   9.634  -1.326
  266   2HG   GLU  30          HG2       GLU  30   9.940   9.748  -0.593
  267    H    PHE  31           HN       PHE  31   9.887   6.788   2.658
  268    HA   PHE  31           HA       PHE  31  11.844   6.886   4.857
  269   1HB   PHE  31          HB2       PHE  31  10.125   5.288   6.004
  270   2HB   PHE  31          HB1       PHE  31   9.849   7.026   6.031
  271    HD1  PHE  31           HD1      PHE  31   8.410   3.904   5.359
  272    HD2  PHE  31           HD2      PHE  31   8.412   7.949   4.036
  273    HE1  PHE  31           HE1      PHE  31   6.203   3.564   4.327
  274    HE2  PHE  31           HE2      PHE  31   6.205   7.617   3.002
  275    HZ   PHE  31           HZ       PHE  31   5.094   5.424   3.152
  276    H    ASP  32           HN       ASP  32  12.855   4.997   5.455
  277    HA   ASP  32           HA       ASP  32  12.790   2.865   3.429
  278   1HB   ASP  32          HB2       ASP  32  14.971   3.075   5.470
  279   2HB   ASP  32          HB1       ASP  32  15.034   2.448   3.828
  280    H    TRP  33           HN       TRP  33  11.200   1.528   4.169
  281    HA   TRP  33           HA       TRP  33  11.405   0.632   6.962
  282   1HB   TRP  33          HB2       TRP  33   9.327   1.735   6.663
  283   2HB   TRP  33          HB1       TRP  33   9.038   0.940   5.120
  284    HD1  TRP  33           HD1      TRP  33   9.166   0.044   8.888
  285    HE1  TRP  33           HE1      TRP  33   7.553  -1.923   9.282
  286    HE3  TRP  33           HE3      TRP  33   7.769  -0.835   4.053
  287    HZ2  TRP  33           HZ2      TRP  33   5.905  -3.625   7.740
  288    HZ3  TRP  33           HZ3      TRP  33   6.172  -2.648   3.596
  289    HH2  TRP  33           HH2      TRP  33   5.263  -4.014   5.399
  290    H    TYR  34           HN       TYR  34  10.857  -1.540   7.463
  291    HA   TYR  34           HA       TYR  34  11.399  -3.438   5.275
  292   1HB   TYR  34          HB2       TYR  34  13.307  -3.609   6.600
  293   2HB   TYR  34          HB1       TYR  34  12.428  -3.287   8.089
  294    HD1  TYR  34           HD1      TYR  34  13.528  -5.841   5.744
  295    HD2  TYR  34           HD2      TYR  34  11.186  -5.091   9.213
  296    HE1  TYR  34           HE1      TYR  34  13.476  -8.252   6.222
  297    HE2  TYR  34           HE2      TYR  34  11.126  -7.500   9.703
  298    HH   TYR  34           HH       TYR  34  12.386  -9.863   7.447
  299    H    TYR  35           HN       TYR  35  10.115  -5.263   5.148
  300    HA   TYR  35           HA       TYR  35   7.571  -5.085   6.476
  301   1HB   TYR  35          HB2       TYR  35   8.545  -6.237   4.085
  302   2HB   TYR  35          HB1       TYR  35   7.869  -7.544   5.038
  303    HD1  TYR  35           HD1      TYR  35   7.160  -4.690   2.994
  304    HD2  TYR  35           HD2      TYR  35   5.491  -7.386   5.827
  305    HE1  TYR  35           HE1      TYR  35   4.907  -4.033   2.282
  306    HE2  TYR  35           HE2      TYR  35   3.229  -6.737   5.118
  307    HH   TYR  35           HH       TYR  35   2.048  -5.689   3.449
  308    H    ASP  36           HN       ASP  36   6.801  -6.268   8.123
  309    HA   ASP  36           HA       ASP  36   8.562  -8.355   9.232
  310   1HB   ASP  36          HB1       ASP  36   7.741  -5.984  10.440
  311   2HB   ASP  36          HB2       ASP  36   6.685  -7.208  11.140
  312    H    THR  37           HN       THR  37   5.268  -7.407   8.493
  313    HA   THR  37           HA       THR  37   4.469 -10.205   8.605
  314    HB   THR  37           HB       THR  37   2.928  -8.060  10.079
  315    HG1  THR  37           HG1      THR  37   3.768  -8.842  11.888
  316   1HG2  THR  37          HG21      THR  37   1.856 -10.218  11.054
  317   2HG2  THR  37          HG22      THR  37   2.379 -10.928   9.527
  318   3HG2  THR  37          HG23      THR  37   1.283  -9.547   9.527
  319    H    ASN  38           HN       ASN  38   2.769 -10.718   7.235
  320    HA   ASN  38           HA       ASN  38   2.464  -9.383   4.883
  321   1HB   ASN  38          HB1       ASN  38   1.636 -11.688   5.376
  322   2HB   ASN  38          HB2       ASN  38   0.263 -10.973   6.215
  323   1HD2  ASN  38          HD22      ASN  38   0.817 -12.558   3.600
  324   2HD2  ASN  38          HD21      ASN  38  -0.177 -11.741   2.448
  325    H    GLU  39           HN       GLU  39   1.660  -7.485   4.306
  326    HA   GLU  39           HA       GLU  39  -0.621  -6.403   5.804
  327   1HB   GLU  39          HB1       GLU  39   0.850  -4.956   6.735
  328   2HB   GLU  39          HB2       GLU  39   2.065  -5.239   5.506
  329   1HG   GLU  39          HG2       GLU  39   0.927  -3.697   4.001
  330   2HG   GLU  39          HG1       GLU  39  -0.312  -3.416   5.221
  331    H    THR  40           HN       THR  40  -2.241  -5.765   4.578
  332    HA   THR  40           HA       THR  40  -1.731  -5.158   1.739
  333    HB   THR  40           HB       THR  40  -4.228  -6.400   2.917
  334    HG1  THR  40           HG1      THR  40  -3.427  -8.267   2.374
  335   1HG2  THR  40          HG21      THR  40  -3.873  -5.042   0.477
  336   2HG2  THR  40          HG22      THR  40  -5.272  -5.964   1.027
  337   3HG2  THR  40          HG23      THR  40  -3.993  -6.763   0.113
  338    H    CYS  41           HN       CYS  41  -2.339  -3.150   1.112
  339    HA   CYS  41           HA       CYS  41  -4.193  -1.693   2.865
  340   1HB   CYS  41          HB2       CYS  41  -2.675   0.355   2.244
  341   2HB   CYS  41          HB1       CYS  41  -2.230  -0.712   3.572
  342    HG   CYS  41           HG       CYS  41  -0.346  -0.087   1.566
  343    H    TYR  42           HN       TYR  42  -5.215   0.142   1.911
  344    HA   TYR  42           HA       TYR  42  -5.430  -0.033  -1.019
  345   1HB   TYR  42          HB1       TYR  42  -7.457  -0.925  -0.330
  346   2HB   TYR  42          HB2       TYR  42  -7.506   0.053   1.131
  347    HD1  TYR  42           HD1      TYR  42  -8.742   2.059   1.199
  348    HD2  TYR  42           HD2      TYR  42  -7.972   0.188  -2.543
  349    HE1  TYR  42           HE1      TYR  42 -10.311   3.607   0.107
  350    HE2  TYR  42           HE2      TYR  42  -9.535   1.729  -3.645
  351    HH   TYR  42           HH       TYR  42 -10.638   3.745  -3.366
  352    H    ILE  43           HN       ILE  43  -4.938   1.791  -2.049
  353    HA   ILE  43           HA       ILE  43  -4.399   4.207  -0.580
  354    HB   ILE  43           HB       ILE  43  -4.345   3.661  -3.548
  355   1HG1  ILE  43          HG11      ILE  43  -2.657   2.538  -1.968
  356   2HG1  ILE  43          HG12      ILE  43  -2.009   3.425  -3.345
  357   1HG2  ILE  43          HG21      ILE  43  -4.636   5.938  -3.560
  358   2HG2  ILE  43          HG22      ILE  43  -2.880   5.829  -3.441
  359   3HG2  ILE  43          HG23      ILE  43  -3.842   6.157  -2.000
  360   1HD1  ILE  43          HD11      ILE  43  -1.325   5.225  -1.993
  361   2HD1  ILE  43          HD12      ILE  43  -0.824   3.753  -1.156
  362   3HD1  ILE  43          HD13      ILE  43  -2.252   4.634  -0.611
  363    H    LEU  44           HN       LEU  44  -5.442   6.183  -0.764
  364    HA   LEU  44           HA       LEU  44  -8.152   6.094  -1.918
  365   1HB   LEU  44          HB2       LEU  44  -8.107   6.047   0.570
  366   2HB   LEU  44          HB1       LEU  44  -7.277   7.591   0.553
  367    HG   LEU  44           HG       LEU  44  -9.214   8.668  -0.442
  368   1HD1  LEU  44          HD21      LEU  44 -11.319   6.962  -0.301
  369   2HD1  LEU  44          HD22      LEU  44 -10.043   5.888  -0.874
  370   3HD1  LEU  44          HD23      LEU  44 -10.439   7.349  -1.779
  371   1HD2  LEU  44          HD11      LEU  44 -10.894   7.718   1.487
  372   2HD2  LEU  44          HD12      LEU  44  -9.641   8.934   1.739
  373   3HD2  LEU  44          HD13      LEU  44  -9.313   7.241   2.108
  374    H    GLU  45           HN       GLU  45  -5.329   8.060  -1.174
  375    HA   GLU  45           HA       GLU  45  -5.597   9.603  -3.536
  376   1HB   GLU  45          HB2       GLU  45  -5.968  11.802  -2.483
  377   2HB   GLU  45          HB1       GLU  45  -7.348  10.733  -2.273
  378   1HG   GLU  45          HG2       GLU  45  -6.299  10.167   0.003
  379   2HG   GLU  45          HG1       GLU  45  -5.331  11.619  -0.249
  380    H    GLY  46           HN       GLY  46  -3.470   9.285  -3.967
  381   1HA   GLY  46          HA2       GLY  46  -1.496  10.907  -2.994
  382   2HA   GLY  46          HA1       GLY  46  -1.451   9.502  -1.939
  383    H    LYS  47           HN       LYS  47   0.741  10.137  -3.423
  384    HA   LYS  47           HA       LYS  47   0.762   7.998  -5.443
  385   1HB   LYS  47          HB1       LYS  47   1.315  10.763  -5.809
  386   2HB   LYS  47          HB2       LYS  47   2.837   9.897  -5.963
  387   1HG   LYS  47          HG1       LYS  47   1.157   8.349  -7.449
  388   2HG   LYS  47          HG2       LYS  47   0.527   9.971  -7.739
  389   1HD   LYS  47          HD1       LYS  47   2.122   9.757  -9.403
  390   2HD   LYS  47          HD2       LYS  47   3.018  10.590  -8.131
  391   1HE   LYS  47          HE1       LYS  47   4.422   8.856  -8.943
  392   2HE   LYS  47          HE2       LYS  47   3.827   8.339  -7.365
  393   1HZ   LYS  47          HZ1       LYS  47   2.546   6.713  -8.272
  394   2HZ   LYS  47          HZ2       LYS  47   3.785   6.741  -9.425
  395   3HZ   LYS  47          HZ3       LYS  47   2.319   7.526  -9.738
  396    H    VAL  48           HN       VAL  48   2.067   6.396  -4.916
  397    HA   VAL  48           HA       VAL  48   4.473   6.999  -3.333
  398    HB   VAL  48           HB       VAL  48   2.401   4.887  -2.829
  399   1HG1  VAL  48          HG21      VAL  48   5.246   4.762  -1.820
  400   2HG1  VAL  48          HG22      VAL  48   4.518   3.654  -2.983
  401   3HG1  VAL  48          HG23      VAL  48   3.922   3.708  -1.324
  402   1HG2  VAL  48          HG11      VAL  48   2.571   5.665  -0.551
  403   2HG2  VAL  48          HG12      VAL  48   2.320   7.038  -1.632
  404   3HG2  VAL  48          HG13      VAL  48   3.926   6.710  -0.979
  405    H    GLU  49           HN       GLU  49   6.292   6.281  -4.194
  406    HA   GLU  49           HA       GLU  49   6.145   4.241  -6.310
  407   1HB   GLU  49          HB2       GLU  49   8.288   6.325  -5.835
  408   2HB   GLU  49          HB1       GLU  49   8.261   5.158  -7.150
  409   1HG   GLU  49          HG1       GLU  49   6.202   6.178  -8.004
  410   2HG   GLU  49          HG2       GLU  49   6.260   7.360  -6.698
  411    H    VAL  50           HN       VAL  50   6.726   2.299  -5.598
  412    HA   VAL  50           HA       VAL  50   8.560   2.100  -3.325
  413    HB   VAL  50           HB       VAL  50   6.728   0.032  -4.549
  414   1HG1  VAL  50          HG11      VAL  50   8.640  -0.114  -2.238
  415   2HG1  VAL  50          HG12      VAL  50   8.495  -1.198  -3.621
  416   3HG1  VAL  50          HG13      VAL  50   7.249  -1.192  -2.371
  417   1HG2  VAL  50          HG21      VAL  50   6.485   1.347  -1.856
  418   2HG2  VAL  50          HG22      VAL  50   5.290   0.370  -2.710
  419   3HG2  VAL  50          HG23      VAL  50   5.698   1.981  -3.302
  420    H    THR  51           HN       THR  51  10.507   1.191  -3.429
  421    HA   THR  51           HA       THR  51  11.260  -0.278  -5.860
  422    HB   THR  51           HB       THR  51  13.070   1.644  -4.382
  423    HG1  THR  51           HG1      THR  51  12.597   3.107  -5.862
  424   1HG2  THR  51          HG21      THR  51  13.461  -0.157  -6.713
  425   2HG2  THR  51          HG22      THR  51  14.558   0.239  -5.388
  426   3HG2  THR  51          HG23      THR  51  14.284   1.404  -6.684
  427    H    THR  52           HN       THR  52  11.670  -2.311  -5.274
  428    HA   THR  52           HA       THR  52  12.501  -2.884  -2.544
  429    HB   THR  52           HB       THR  52  12.045  -5.214  -3.086
  430    HG1  THR  52           HG1      THR  52  12.539  -5.611  -5.113
  431   1HG2  THR  52          HG21      THR  52   9.697  -5.135  -3.657
  432   2HG2  THR  52          HG22      THR  52   9.869  -3.467  -4.203
  433   3HG2  THR  52          HG23      THR  52  10.102  -3.867  -2.501
  434    H    GLU  53           HN       GLU  53  14.382  -3.918  -1.962
  435    HA   GLU  53           HA       GLU  53  16.718  -3.312  -3.301
  436   1HB   GLU  53          HB2       GLU  53  17.702  -5.231  -1.890
  437   2HB   GLU  53          HB1       GLU  53  16.956  -3.881  -1.044
  438   1HG   GLU  53          HG2       GLU  53  15.648  -5.302   0.023
  439   2HG   GLU  53          HG1       GLU  53  14.921  -5.768  -1.514
  440    H    ASP  54           HN       ASP  54  14.781  -6.267  -3.462
  441    HA   ASP  54           HA       ASP  54  16.452  -7.907  -4.912
  442   1HB   ASP  54          HB1       ASP  54  13.449  -7.601  -5.100
  443   2HB   ASP  54          HB2       ASP  54  14.347  -8.918  -5.849
  444    H    GLY  55           HN       GLY  55  14.600  -5.148  -5.994
  445   1HA   GLY  55          HA1       GLY  55  15.587  -3.952  -7.916
  446   2HA   GLY  55          HA2       GLY  55  15.748  -5.519  -8.691
  447    H    LYS  56           HN       LYS  56  12.898  -4.820  -6.852
  448    HA   LYS  56           HA       LYS  56  11.351  -4.800  -9.342
  449   1HB   LYS  56          HB1       LYS  56  10.132  -5.087  -6.616
  450   2HB   LYS  56          HB2       LYS  56   9.552  -5.694  -8.159
  451   1HG   LYS  56          HG1       LYS  56  11.839  -6.759  -6.525
  452   2HG   LYS  56          HG2       LYS  56  10.298  -7.548  -6.872
  453   1HD   LYS  56          HD1       LYS  56  11.381  -6.899  -9.367
  454   2HD   LYS  56          HD2       LYS  56  12.730  -7.523  -8.415
  455   1HE   LYS  56          HE1       LYS  56  11.504  -9.542  -7.920
  456   2HE   LYS  56          HE2       LYS  56  10.074  -8.912  -8.736
  457   1HZ   LYS  56          HZ1       LYS  56  12.669  -9.625  -9.987
  458   2HZ   LYS  56          HZ2       LYS  56  11.409  -8.845 -10.804
  459   3HZ   LYS  56          HZ3       LYS  56  11.185 -10.409 -10.199
  460    H    LYS  57           HN       LYS  57   9.160  -3.552  -8.988
  461    HA   LYS  57           HA       LYS  57   9.420  -1.128  -7.458
  462   1HB   LYS  57          HB1       LYS  57  10.673  -0.871  -9.732
  463   2HB   LYS  57          HB2       LYS  57   9.053  -0.736 -10.405
  464   1HG   LYS  57          HG1       LYS  57   9.433   1.458 -10.037
  465   2HG   LYS  57          HG2       LYS  57   8.827   1.042  -8.432
  466   1HD   LYS  57          HD2       LYS  57  10.876   2.378  -8.304
  467   2HD   LYS  57          HD1       LYS  57  11.107   0.765  -7.623
  468   1HE   LYS  57          HE2       LYS  57  12.525   0.118  -9.276
  469   2HE   LYS  57          HE1       LYS  57  11.734   1.116 -10.496
  470   1HZ   LYS  57          HZ1       LYS  57  13.921   1.966 -10.015
  471   2HZ   LYS  57          HZ2       LYS  57  13.565   2.078  -8.366
  472   3HZ   LYS  57          HZ3       LYS  57  12.762   3.072  -9.472
  473    H    TYR  58           HN       TYR  58   7.465  -0.301  -6.930
  474    HA   TYR  58           HA       TYR  58   5.124  -1.193  -8.455
  475   1HB   TYR  58          HB2       TYR  58   4.882  -1.124  -5.485
  476   2HB   TYR  58          HB1       TYR  58   4.029  -2.120  -6.658
  477    HD1  TYR  58           HD1      TYR  58   5.744  -3.756  -8.002
  478    HD2  TYR  58           HD2      TYR  58   6.269  -2.266  -4.051
  479    HE1  TYR  58           HE1      TYR  58   7.225  -5.652  -7.488
  480    HE2  TYR  58           HE2      TYR  58   7.749  -4.156  -3.526
  481    HH   TYR  58           HH       TYR  58   9.133  -6.097  -5.812
  482    H    VAL  59           HN       VAL  59   4.140   0.572  -9.131
  483    HA   VAL  59           HA       VAL  59   4.165   2.972  -7.438
  484    HB   VAL  59           HB       VAL  59   3.396   4.168  -9.490
  485   1HG1  VAL  59          HG11      VAL  59   5.772   3.252 -10.668
  486   2HG1  VAL  59          HG12      VAL  59   5.986   3.068  -8.926
  487   3HG1  VAL  59          HG13      VAL  59   5.564   4.642  -9.602
  488   1HG2  VAL  59          HG21      VAL  59   3.040   1.518 -10.436
  489   2HG2  VAL  59          HG22      VAL  59   4.261   2.295 -11.443
  490   3HG2  VAL  59          HG23      VAL  59   2.671   3.034 -11.255
  491    H    ILE  60           HN       ILE  60   2.413   3.247  -6.229
  492    HA   ILE  60           HA       ILE  60  -0.183   2.364  -7.307
  493    HB   ILE  60           HB       ILE  60  -0.855   2.057  -4.885
  494   1HG1  ILE  60          HG11      ILE  60   1.972   1.597  -4.161
  495   2HG1  ILE  60          HG12      ILE  60   1.512   3.288  -4.338
  496   1HG2  ILE  60          HG21      ILE  60   0.903   0.354  -6.511
  497   2HG2  ILE  60          HG22      ILE  60  -0.667   0.005  -5.786
  498   3HG2  ILE  60          HG23      ILE  60   0.797  -0.084  -4.806
  499   1HD1  ILE  60          HD11      ILE  60   1.048   1.533  -2.157
  500   2HD1  ILE  60          HD12      ILE  60  -0.506   2.038  -2.822
  501   3HD1  ILE  60          HD13      ILE  60   0.667   3.249  -2.305
  502    H    GLU  61           HN       GLU  61  -1.549   4.000  -7.648
  503    HA   GLU  61           HA       GLU  61  -1.541   6.242  -5.776
  504   1HB   GLU  61          HB2       GLU  61  -0.117   6.897  -7.685
  505   2HB   GLU  61          HB1       GLU  61  -1.460   6.593  -8.778
  506   1HG   GLU  61          HG1       GLU  61  -2.730   8.301  -7.324
  507   2HG   GLU  61          HG2       GLU  61  -1.127   8.770  -6.760
  508    H    LYS  62           HN       LYS  62  -3.435   7.049  -5.300
  509    HA   LYS  62           HA       LYS  62  -5.684   7.170  -5.060
  510   1HB   LYS  62          HB1       LYS  62  -4.932   8.286  -7.414
  511   2HB   LYS  62          HB2       LYS  62  -6.148   7.143  -7.971
  512   1HG   LYS  62          HG1       LYS  62  -6.465   9.475  -6.122
  513   2HG   LYS  62          HG2       LYS  62  -7.342   9.103  -7.607
  514   1HD   LYS  62          HD1       LYS  62  -8.333   7.126  -6.434
  515   2HD   LYS  62          HD2       LYS  62  -7.573   7.698  -4.949
  516   1HE   LYS  62          HE1       LYS  62  -9.193   9.172  -4.599
  517   2HE   LYS  62          HE2       LYS  62  -9.017   9.831  -6.224
  518   1HZ   LYS  62          HZ1       LYS  62 -10.699   8.569  -7.019
  519   2HZ   LYS  62          HZ2       LYS  62 -11.218   8.638  -5.411
  520   3HZ   LYS  62          HZ3       LYS  62 -10.395   7.272  -5.976
  521    H    GLY  63           HN       GLY  63  -6.920   5.652  -4.363
  522   1HA   GLY  63          HA2       GLY  63  -8.135   3.707  -4.204
  523   2HA   GLY  63          HA1       GLY  63  -8.658   4.170  -5.812
  524    H    ASP  64           HN       ASP  64  -5.789   2.659  -4.328
  525    HA   ASP  64           HA       ASP  64  -6.213   0.332  -6.010
  526   1HB   ASP  64          HB1       ASP  64  -3.982   0.290  -6.927
  527   2HB   ASP  64          HB2       ASP  64  -4.740   1.824  -7.345
  528    H    LEU  65           HN       LEU  65  -4.883  -1.516  -5.348
  529    HA   LEU  65           HA       LEU  65  -3.735  -1.266  -2.675
  530   1HB   LEU  65          HB2       LEU  65  -5.066  -2.796  -1.639
  531   2HB   LEU  65          HB1       LEU  65  -6.215  -2.027  -2.708
  532    HG   LEU  65           HG       LEU  65  -4.941  -4.734  -3.048
  533   1HD1  LEU  65          HD21      LEU  65  -6.707  -5.214  -1.742
  534   2HD1  LEU  65          HD22      LEU  65  -7.615  -5.053  -3.245
  535   3HD1  LEU  65          HD23      LEU  65  -7.526  -3.698  -2.118
  536   1HD2  LEU  65          HD11      LEU  65  -6.114  -2.935  -5.025
  537   2HD2  LEU  65          HD12      LEU  65  -6.830  -4.543  -4.998
  538   3HD2  LEU  65          HD13      LEU  65  -5.095  -4.355  -5.248
  539    H    VAL  66           HN       VAL  66  -2.203  -2.843  -2.127
  540    HA   VAL  66           HA       VAL  66  -1.394  -4.662  -4.283
  541    HB   VAL  66           HB       VAL  66   0.457  -2.769  -2.831
  542   1HG1  VAL  66          HG21      VAL  66   0.972  -5.070  -4.676
  543   2HG1  VAL  66          HG22      VAL  66   1.735  -4.687  -3.134
  544   3HG1  VAL  66          HG23      VAL  66   2.103  -3.723  -4.564
  545   1HG2  VAL  66          HG11      VAL  66  -0.608  -1.503  -4.470
  546   2HG2  VAL  66          HG12      VAL  66  -0.644  -2.842  -5.616
  547   3HG2  VAL  66          HG13      VAL  66   0.880  -2.033  -5.254
  548    H    THR  67           HN       THR  67  -0.140  -6.457  -3.631
  549    HA   THR  67           HA       THR  67  -0.470  -7.132  -0.787
  550    HB   THR  67           HB       THR  67  -0.030  -8.875  -3.219
  551    HG1  THR  67           HG1      THR  67  -2.115  -9.682  -2.484
  552   1HG2  THR  67          HG21      THR  67   1.089 -10.044  -1.527
  553   2HG2  THR  67          HG22      THR  67  -0.521 -10.758  -1.609
  554   3HG2  THR  67          HG23      THR  67  -0.125  -9.622  -0.320
  555    H    PHE  68           HN       PHE  68   1.280  -7.900   0.423
  556    HA   PHE  68           HA       PHE  68   3.914  -7.805  -0.846
  557   1HB   PHE  68          HB2       PHE  68   3.197  -6.255   1.639
  558   2HB   PHE  68          HB1       PHE  68   4.788  -6.321   0.890
  559    HD1  PHE  68           HD1      PHE  68   1.475  -4.856   0.798
  560    HD2  PHE  68           HD2      PHE  68   5.174  -5.204  -1.273
  561    HE1  PHE  68           HE1      PHE  68   0.879  -2.910  -0.583
  562    HE2  PHE  68           HE2      PHE  68   4.586  -3.258  -2.659
  563    HZ   PHE  68           HZ       PHE  68   2.437  -2.108  -2.315
  564    HA   PRO  69           HA       PRO  69   4.480 -11.223   1.945
  565   1HB   PRO  69          HB1       PRO  69   6.969 -11.896   1.236
  566   2HB   PRO  69          HB2       PRO  69   5.614 -12.104   0.126
  567   1HG   PRO  69          HG1       PRO  69   7.728 -10.009   0.168
  568   2HG   PRO  69          HG2       PRO  69   6.937 -10.777  -1.218
  569   1HD   PRO  69          HD2       PRO  69   6.304  -8.275  -0.143
  570   2HD   PRO  69          HD1       PRO  69   5.293  -9.213  -1.256
  571    H    LYS  70           HN       LYS  70   5.329 -11.618   3.941
  572    HA   LYS  70           HA       LYS  70   6.375  -9.611   5.526
  573   1HB   LYS  70          HB1       LYS  70   5.443 -11.581   6.537
  574   2HB   LYS  70          HB2       LYS  70   6.637 -12.612   5.760
  575   1HG   LYS  70          HG1       LYS  70   8.365 -11.843   7.157
  576   2HG   LYS  70          HG2       LYS  70   7.401 -10.481   7.731
  577   1HD   LYS  70          HD2       LYS  70   7.392 -12.075   9.479
  578   2HD   LYS  70          HD1       LYS  70   5.809 -12.188   8.706
  579   1HE   LYS  70          HE1       LYS  70   6.351 -14.194   7.627
  580   2HE   LYS  70          HE2       LYS  70   8.079 -13.972   7.896
  581   1HZ   LYS  70          HZ1       LYS  70   6.009 -14.869   9.783
  582   2HZ   LYS  70          HZ2       LYS  70   7.399 -14.107  10.374
  583   3HZ   LYS  70          HZ3       LYS  70   7.533 -15.531   9.472
  584    H    GLY  71           HN       GLY  71   8.439  -8.978   6.129
  585   1HA   GLY  71          HA2       GLY  71  10.778  -8.995   6.108
  586   2HA   GLY  71          HA1       GLY  71  10.733 -10.328   4.966
  587    H    LEU  72           HN       LEU  72   8.804  -8.743   3.236
  588    HA   LEU  72           HA       LEU  72  10.504  -7.846   1.316
  589   1HB   LEU  72          HB2       LEU  72   8.231  -8.028   0.755
  590   2HB   LEU  72          HB1       LEU  72   7.732  -6.949   2.040
  591    HG   LEU  72           HG       LEU  72   8.231  -5.041   0.827
  592   1HD1  LEU  72          HD11      LEU  72  10.323  -4.962   0.020
  593   2HD1  LEU  72          HD12      LEU  72   9.609  -5.581  -1.470
  594   3HD1  LEU  72          HD13      LEU  72  10.360  -6.692  -0.323
  595   1HD2  LEU  72          HD21      LEU  72   7.248  -5.289  -1.353
  596   2HD2  LEU  72          HD22      LEU  72   6.398  -6.327  -0.208
  597   3HD2  LEU  72          HD23      LEU  72   7.559  -7.024  -1.337
  598    H    ARG  73           HN       ARG  73  12.282  -6.712   2.050
  599    HA   ARG  73           HA       ARG  73  11.890  -4.182   3.427
  600   1HB   ARG  73          HB1       ARG  73  13.785  -5.923   3.830
  601   2HB   ARG  73          HB2       ARG  73  14.533  -5.190   2.417
  602   1HG   ARG  73          HG1       ARG  73  13.733  -3.091   4.134
  603   2HG   ARG  73          HG2       ARG  73  14.563  -4.301   5.115
  604   1HD   ARG  73          HD2       ARG  73  15.927  -3.848   2.605
  605   2HD   ARG  73          HD1       ARG  73  15.736  -2.351   3.516
  606    HE   ARG  73           HE       ARG  73  17.443  -4.556   4.162
  607   1HH1  ARG  73          HH12      ARG  73  15.615  -1.904   5.488
  608   2HH1  ARG  73          HH11      ARG  73  16.594  -1.772   6.911
  609   1HH2  ARG  73          HH21      ARG  73  18.738  -4.391   6.031
  610   2HH2  ARG  73          HH22      ARG  73  18.370  -3.186   7.220
  611    H    CYS  74           HN       CYS  74  11.466  -2.390   2.317
  612    HA   CYS  74           HA       CYS  74  12.985  -1.785  -0.080
  613   1HB   CYS  74          HB2       CYS  74  11.071  -1.382  -1.493
  614   2HB   CYS  74          HB1       CYS  74  10.984  -3.033  -0.889
  615    HG   CYS  74           HG       CYS  74   9.316  -1.132   0.780
  616    H    ARG  75           HN       ARG  75  12.716   0.442  -0.792
  617    HA   ARG  75           HA       ARG  75  12.255   2.202   1.486
  618   1HB   ARG  75          HB1       ARG  75  14.302   2.213  -0.161
  619   2HB   ARG  75          HB2       ARG  75  13.224   3.154  -1.184
  620   1HG   ARG  75          HG2       ARG  75  13.320   4.092   1.576
  621   2HG   ARG  75          HG1       ARG  75  14.876   4.160   0.744
  622   1HD   ARG  75          HD1       ARG  75  13.341   5.177  -1.180
  623   2HD   ARG  75          HD2       ARG  75  12.363   5.640   0.213
  624    HE   ARG  75           HE       ARG  75  13.883   7.280   0.613
  625   1HH1  ARG  75          HH22      ARG  75  15.487   4.708  -1.103
  626   2HH1  ARG  75          HH21      ARG  75  17.006   5.536  -1.186
  627   1HH2  ARG  75          HH11      ARG  75  15.879   8.379   0.509
  628   2HH2  ARG  75          HH12      ARG  75  17.229   7.623  -0.270
  629    H    TRP  76           HN       TRP  76  10.628   3.650   1.628
  630    HA   TRP  76           HA       TRP  76   8.682   3.683  -0.574
  631   1HB   TRP  76          HB1       TRP  76   8.376   4.245   2.378
  632   2HB   TRP  76          HB2       TRP  76   7.108   4.557   1.200
  633    HD1  TRP  76           HD1      TRP  76   9.307   1.479   2.125
  634    HE1  TRP  76           HE1      TRP  76   7.783  -0.595   2.116
  635    HE3  TRP  76           HE3      TRP  76   4.912   3.711   0.777
  636    HZ2  TRP  76           HZ2      TRP  76   5.072  -1.203   1.605
  637    HZ3  TRP  76           HZ3      TRP  76   2.900   2.315   0.549
  638    HH2  TRP  76           HH2      TRP  76   2.979  -0.089   0.954
  639    H    LYS  77           HN       LYS  77   7.773   5.614  -1.293
  640    HA   LYS  77           HA       LYS  77   8.831   8.126  -0.280
  641   1HB   LYS  77          HB1       LYS  77   9.272   8.713  -2.817
  642   2HB   LYS  77          HB2       LYS  77  10.510   7.954  -1.830
  643   1HG   LYS  77          HG1       LYS  77   9.546   5.736  -2.743
  644   2HG   LYS  77          HG2       LYS  77   8.816   6.759  -3.982
  645   1HD   LYS  77          HD1       LYS  77  11.068   7.667  -4.492
  646   2HD   LYS  77          HD2       LYS  77  11.753   6.523  -3.334
  647   1HE   LYS  77          HE1       LYS  77  11.613   4.814  -4.770
  648   2HE   LYS  77          HE2       LYS  77   9.990   5.269  -5.288
  649   1HZ   LYS  77          HZ1       LYS  77  11.588   7.194  -6.361
  650   2HZ   LYS  77          HZ2       LYS  77  10.951   5.863  -7.188
  651   3HZ   LYS  77          HZ3       LYS  77  12.510   5.789  -6.539
  652    H    VAL  78           HN       VAL  78   7.202   9.506  -0.139
  653    HA   VAL  78           HA       VAL  78   4.829   9.064  -1.807
  654    HB   VAL  78           HB       VAL  78   5.099  10.686   0.727
  655   1HG1  VAL  78          HG11      VAL  78   2.856  11.163   0.627
  656   2HG1  VAL  78          HG12      VAL  78   2.495   9.774  -0.399
  657   3HG1  VAL  78          HG13      VAL  78   3.270  11.201  -1.087
  658   1HG2  VAL  78          HG21      VAL  78   5.253   8.035   0.661
  659   2HG2  VAL  78          HG22      VAL  78   3.497   8.198   0.610
  660   3HG2  VAL  78          HG23      VAL  78   4.410   8.899   1.946
  661    H    LEU  79           HN       LEU  79   4.327  10.439  -3.375
  662    HA   LEU  79           HA       LEU  79   5.906  12.868  -3.688
  663   1HB   LEU  79          HB2       LEU  79   3.911  11.558  -5.541
  664   2HB   LEU  79          HB1       LEU  79   4.890  12.957  -5.936
  665    HG   LEU  79           HG       LEU  79   6.930  11.556  -5.658
  666   1HD1  LEU  79          HD21      LEU  79   4.874   9.424  -5.172
  667   2HD1  LEU  79          HD22      LEU  79   6.297   9.828  -4.211
  668   3HD1  LEU  79          HD23      LEU  79   6.487   9.047  -5.778
  669   1HD2  LEU  79          HD11      LEU  79   5.338  11.815  -7.806
  670   2HD2  LEU  79          HD12      LEU  79   5.330  10.060  -7.629
  671   3HD2  LEU  79          HD13      LEU  79   6.858  10.920  -7.820
  672    H    GLU  80           HN       GLU  80   2.618  11.838  -3.110
  673    HA   GLU  80           HA       GLU  80   1.889  14.612  -2.504
  674   1HB   GLU  80          HB2       GLU  80   0.405  12.711  -4.306
  675   2HB   GLU  80          HB1       GLU  80  -0.433  14.008  -3.464
  676   1HG   GLU  80          HG2       GLU  80   1.983  14.746  -5.000
  677   2HG   GLU  80          HG1       GLU  80   0.554  14.273  -5.918
  678    HA   PRO  81           HA       PRO  81   0.409  13.314   1.449
  679   1HB   PRO  81          HB2       PRO  81  -2.171  14.440   0.387
  680   2HB   PRO  81          HB1       PRO  81  -1.461  14.607   2.000
  681   1HG   PRO  81          HG2       PRO  81  -1.179  16.561   0.225
  682   2HG   PRO  81          HG1       PRO  81   0.177  16.097   1.263
  683   1HD   PRO  81          HD1       PRO  81  -0.235  15.613  -1.636
  684   2HD   PRO  81          HD2       PRO  81   1.277  15.766  -0.719
  685    H    VAL  82           HN       VAL  82   0.131  11.226   1.799
  686    HA   VAL  82           HA       VAL  82  -1.670   9.730   0.065
  687    HB   VAL  82           HB       VAL  82   0.950   9.296   0.861
  688   1HG1  VAL  82          HG21      VAL  82   1.135   7.366   2.151
  689   2HG1  VAL  82          HG22      VAL  82  -0.587   7.002   2.026
  690   3HG1  VAL  82          HG23      VAL  82  -0.041   8.353   3.019
  691   1HG2  VAL  82          HG11      VAL  82   0.547   8.391  -1.139
  692   2HG2  VAL  82          HG12      VAL  82  -1.097   7.912  -0.713
  693   3HG2  VAL  82          HG13      VAL  82   0.270   6.918  -0.208
  694    H    ARG  83           HN       ARG  83  -3.365   8.594   0.734
  695    HA   ARG  83           HA       ARG  83  -3.829   8.210   3.597
  696   1HB   ARG  83          HB2       ARG  83  -5.357   9.950   1.850
  697   2HB   ARG  83          HB1       ARG  83  -6.368   8.672   2.511
  698   1HG   ARG  83          HG1       ARG  83  -4.678   9.854   4.539
  699   2HG   ARG  83          HG2       ARG  83  -5.692  11.056   3.739
  700   1HD   ARG  83          HD2       ARG  83  -6.913   8.482   4.612
  701   2HD   ARG  83          HD1       ARG  83  -6.570   9.718   5.821
  702    HE   ARG  83           HE       ARG  83  -8.614   9.788   3.794
  703   1HH1  ARG  83          HH12      ARG  83  -6.636  11.669   5.955
  704   2HH1  ARG  83          HH11      ARG  83  -7.727  13.015   5.990
  705   1HH2  ARG  83          HH21      ARG  83 -10.058  11.552   3.832
  706   2HH2  ARG  83          HH22      ARG  83  -9.673  12.948   4.783
  707    H    LYS  84           HN       LYS  84  -3.860   6.043   3.777
  708    HA   LYS  84           HA       LYS  84  -5.412   4.543   1.784
  709   1HB   LYS  84          HB2       LYS  84  -3.737   2.968   1.470
  710   2HB   LYS  84          HB1       LYS  84  -2.828   4.466   1.582
  711   1HG   LYS  84          HG1       LYS  84  -2.800   3.712   4.164
  712   2HG   LYS  84          HG2       LYS  84  -2.881   2.132   3.377
  713   1HD   LYS  84          HD1       LYS  84  -0.818   4.287   2.929
  714   2HD   LYS  84          HD2       LYS  84  -0.571   2.723   3.710
  715   1HE   LYS  84          HE2       LYS  84  -1.369   1.718   1.484
  716   2HE   LYS  84          HE1       LYS  84  -1.073   3.323   0.815
  717   1HZ   LYS  84          HZ1       LYS  84   1.049   2.056   2.390
  718   2HZ   LYS  84          HZ2       LYS  84   1.168   3.126   1.084
  719   3HZ   LYS  84          HZ3       LYS  84   0.782   1.501   0.815
  720    H    HIS  85           HN       HIS  85  -6.171   2.461   2.451
  721    HA   HIS  85           HA       HIS  85  -6.807   2.378   5.312
  722   1HB   HIS  85          HB1       HIS  85  -8.052   0.886   2.987
  723   2HB   HIS  85          HB2       HIS  85  -8.577   0.779   4.664
  724    HD1  HIS  85           HD1      HIS  85 -10.764   1.950   4.745
  725    HD2  HIS  85           HD2      HIS  85  -7.944   4.053   2.537
  726    HE1  HIS  85           HE1      HIS  85 -11.876   4.120   4.126
  727    HE2  HIS  85           HE2      HIS  85 -10.152   5.378   2.789
  728    H    TYR  86           HN       TYR  86  -6.813   0.156   6.308
  729    HA   TYR  86           HA       TYR  86  -4.463  -1.307   5.305
  730   1HB   TYR  86          HB2       TYR  86  -5.391  -0.720   8.106
  731   2HB   TYR  86          HB1       TYR  86  -4.173  -1.941   7.758
  732    HD1  TYR  86           HD1      TYR  86  -4.167   0.866   9.300
  733    HD2  TYR  86           HD2      TYR  86  -2.698  -0.540   5.566
  734    HE1  TYR  86           HE1      TYR  86  -2.433   2.601   9.337
  735    HE2  TYR  86           HE2      TYR  86  -0.960   1.190   5.591
  736    HH   TYR  86           HH       TYR  86   0.252   2.561   7.469
  737    H    ASN  87           HN       ASN  87  -4.250  -3.523   5.918
  738    HA   ASN  87           HA       ASN  87  -6.562  -5.019   6.743
  739   1HB   ASN  87          HB2       ASN  87  -6.333  -4.526   4.014
  740   2HB   ASN  87          HB1       ASN  87  -5.647  -6.135   4.209
  741   1HD2  ASN  87          HD22      ASN  87  -7.073  -7.654   3.847
  742   2HD2  ASN  87          HD21      ASN  87  -8.748  -7.608   4.268
  743    H    LEU  88           HN       LEU  88  -4.339  -4.879   8.108
  744    HA   LEU  88           HA       LEU  88  -2.430  -6.897   7.301
  745   1HB   LEU  88          HB1       LEU  88  -2.356  -5.752  10.037
  746   2HB   LEU  88          HB2       LEU  88  -1.045  -6.075   8.918
  747    HG   LEU  88           HG       LEU  88  -2.944  -3.722   8.797
  748   1HD1  LEU  88          HD21      LEU  88  -0.086  -4.041   9.661
  749   2HD1  LEU  88          HD22      LEU  88  -1.434  -3.331  10.549
  750   3HD1  LEU  88          HD23      LEU  88  -0.753  -2.487   9.158
  751   1HD2  LEU  88          HD11      LEU  88  -0.563  -3.617   7.149
  752   2HD2  LEU  88          HD12      LEU  88  -2.242  -3.277   6.735
  753   3HD2  LEU  88          HD13      LEU  88  -1.640  -4.935   6.688
  754    H    PHE  89           HN       PHE  89  -2.012  -8.827   8.360
  755    HA   PHE  89           HA       PHE  89  -4.208  -9.793  10.071
  756   1HB   PHE  89          HB2       PHE  89  -2.407 -11.624   8.516
  757   2HB   PHE  89          HB1       PHE  89  -4.054 -11.900   9.076
  758    HD1  PHE  89           HD1      PHE  89  -5.371  -9.437   8.080
  759    HD2  PHE  89           HD2      PHE  89  -2.545 -12.023   6.226
  760    HE1  PHE  89           HE1      PHE  89  -6.230  -8.784   5.869
  761    HE2  PHE  89           HE2      PHE  89  -3.399 -11.374   4.012
  762    HZ   PHE  89           HZ       PHE  89  -5.244  -9.752   3.832
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1   7.652 -14.554  -4.448
    2   2H    MET   1          HT2       MET   1   7.432 -14.179  -2.789
    3   3H    MET   1          HT3       MET   1   8.902 -13.770  -3.573
    4    HA   MET   1           HA       MET   1   7.322 -11.926  -3.186
    5   1HB   MET   1          HB2       MET   1   9.113 -12.506  -5.201
    6   2HB   MET   1          HB1       MET   1   7.675 -12.029  -6.094
    7   1HG   MET   1          HG1       MET   1   9.079 -10.116  -5.751
    8   2HG   MET   1          HG2       MET   1   7.602  -9.934  -4.808
    9   1HE   MET   1          HE1       MET   1  10.475 -12.399  -3.669
   10   2HE   MET   1          HE2       MET   1  11.604 -11.258  -2.938
   11   3HE   MET   1          HE3       MET   1  11.285 -11.195  -4.672
   12    H    GLU   2           HN       GLU   2   5.504 -10.781  -4.115
   13    HA   GLU   2           HA       GLU   2   3.701 -11.948  -5.934
   14   1HB   GLU   2          HB1       GLU   2   1.861 -12.287  -4.111
   15   2HB   GLU   2          HB2       GLU   2   3.020 -13.570  -4.430
   16   1HG   GLU   2          HG2       GLU   2   4.375 -12.706  -2.519
   17   2HG   GLU   2          HG1       GLU   2   3.042 -11.613  -2.150
   18    H    VAL   3           HN       VAL   3   4.829  -9.399  -5.503
   19    HA   VAL   3           HA       VAL   3   2.840  -7.683  -4.320
   20    HB   VAL   3           HB       VAL   3   4.926  -6.623  -6.179
   21   1HG1  VAL   3          HG21      VAL   3   4.999  -4.910  -4.269
   22   2HG1  VAL   3          HG22      VAL   3   3.520  -5.689  -3.705
   23   3HG1  VAL   3          HG23      VAL   3   3.570  -4.944  -5.303
   24   1HG2  VAL   3          HG11      VAL   3   6.169  -6.607  -3.720
   25   2HG2  VAL   3          HG12      VAL   3   6.566  -7.664  -5.075
   26   3HG2  VAL   3          HG13      VAL   3   5.470  -8.224  -3.811
   27    H    LYS   4           HN       LYS   4   1.062  -6.940  -5.284
   28    HA   LYS   4           HA       LYS   4   0.996  -6.884  -8.224
   29   1HB   LYS   4          HB1       LYS   4  -1.130  -7.898  -8.293
   30   2HB   LYS   4          HB2       LYS   4  -0.203  -8.864  -7.159
   31   1HG   LYS   4          HG2       LYS   4  -1.589  -6.771  -5.763
   32   2HG   LYS   4          HG1       LYS   4  -2.711  -7.695  -6.763
   33   1HD   LYS   4          HD1       LYS   4  -1.636  -9.772  -5.760
   34   2HD   LYS   4          HD2       LYS   4  -0.895  -8.681  -4.588
   35   1HE   LYS   4          HE2       LYS   4  -2.875  -9.509  -3.582
   36   2HE   LYS   4          HE1       LYS   4  -3.203  -7.844  -4.060
   37   1HZ   LYS   4          HZ1       LYS   4  -4.027 -10.272  -5.559
   38   2HZ   LYS   4          HZ2       LYS   4  -4.327  -8.677  -6.036
   39   3HZ   LYS   4          HZ3       LYS   4  -5.042  -9.290  -4.630
   40    H    ILE   5           HN       ILE   5  -0.436  -5.391  -9.185
   41    HA   ILE   5           HA       ILE   5  -1.307  -3.210  -7.400
   42    HB   ILE   5           HB       ILE   5  -0.553  -2.864 -10.297
   43   1HG1  ILE   5          HG11      ILE   5   1.469  -3.537  -9.209
   44   2HG1  ILE   5          HG12      ILE   5   1.531  -1.786  -9.380
   45   1HG2  ILE   5          HG21      ILE   5  -0.243  -0.512  -8.770
   46   2HG2  ILE   5          HG22      ILE   5  -1.807  -1.208  -8.346
   47   3HG2  ILE   5          HG23      ILE   5  -1.430  -0.847 -10.030
   48   1HD1  ILE   5          HD11      ILE   5   1.203  -1.428  -7.114
   49   2HD1  ILE   5          HD12      ILE   5   2.279  -2.822  -7.167
   50   3HD1  ILE   5          HD13      ILE   5   0.559  -3.048  -6.854
   51    H    GLU   6           HN       GLU   6  -3.453  -3.099  -7.285
   52    HA   GLU   6           HA       GLU   6  -5.033  -3.497  -9.715
   53   1HB   GLU   6          HB2       GLU   6  -4.910  -5.355  -7.471
   54   2HB   GLU   6          HB1       GLU   6  -6.549  -4.815  -7.808
   55   1HG   GLU   6          HG2       GLU   6  -6.691  -6.153  -9.561
   56   2HG   GLU   6          HG1       GLU   6  -5.217  -5.477 -10.256
   57    H    LYS   7           HN       LYS   7  -7.144  -2.634  -9.643
   58    HA   LYS   7           HA       LYS   7  -7.528  -0.647  -7.506
   59   1HB   LYS   7          HB1       LYS   7  -8.338  -0.619 -10.409
   60   2HB   LYS   7          HB2       LYS   7  -9.002   0.505  -9.231
   61   1HG   LYS   7          HG1       LYS   7  -7.142   1.756  -9.185
   62   2HG   LYS   7          HG2       LYS   7  -6.072   0.355  -9.267
   63   1HD   LYS   7          HD2       LYS   7  -6.222   0.233 -11.600
   64   2HD   LYS   7          HD1       LYS   7  -7.659   1.259 -11.649
   65   1HE   LYS   7          HE1       LYS   7  -6.109   3.069 -10.647
   66   2HE   LYS   7          HE2       LYS   7  -4.798   2.031 -11.208
   67   1HZ   LYS   7          HZ1       LYS   7  -6.784   2.447 -13.221
   68   2HZ   LYS   7          HZ2       LYS   7  -5.111   2.688 -13.293
   69   3HZ   LYS   7          HZ3       LYS   7  -6.115   3.907 -12.689
   70    HA   PRO   8           HA       PRO   8 -10.756  -3.736  -6.553
   71   1HB   PRO   8          HB1       PRO   8 -11.569  -2.182  -4.336
   72   2HB   PRO   8          HB2       PRO   8 -10.537  -3.611  -4.313
   73   1HG   PRO   8          HG2       PRO   8  -9.801  -0.733  -4.256
   74   2HG   PRO   8          HG1       PRO   8  -8.957  -2.117  -3.534
   75   1HD   PRO   8          HD2       PRO   8  -8.030  -0.905  -5.723
   76   2HD   PRO   8          HD1       PRO   8  -7.900  -2.660  -5.515
   77    H    THR   9           HN       THR   9 -12.649  -3.743  -7.510
   78    HA   THR   9           HA       THR   9 -13.971  -1.234  -8.177
   79    HB   THR   9           HB       THR   9 -13.958  -2.606 -10.055
   80    HG1  THR   9           HG1      THR   9 -16.070  -3.127 -10.399
   81   1HG2  THR   9          HG21      THR   9 -14.824  -5.025  -9.899
   82   2HG2  THR   9          HG22      THR   9 -14.403  -4.892  -8.192
   83   3HG2  THR   9          HG23      THR   9 -13.162  -4.674  -9.425
   84    HA   PRO  10           HA       PRO  10 -17.202  -1.028  -5.203
   85   1HB   PRO  10          HB1       PRO  10 -19.368  -1.495  -7.018
   86   2HB   PRO  10          HB2       PRO  10 -18.817   0.046  -6.359
   87   1HG   PRO  10          HG2       PRO  10 -18.213  -1.214  -8.969
   88   2HG   PRO  10          HG1       PRO  10 -18.238   0.503  -8.524
   89   1HD   PRO  10          HD2       PRO  10 -15.932  -0.785  -8.959
   90   2HD   PRO  10          HD1       PRO  10 -16.072   0.442  -7.681
   91    H    GLU  11           HN       GLU  11 -17.203  -3.664  -7.532
   92    HA   GLU  11           HA       GLU  11 -18.977  -5.338  -6.043
   93   1HB   GLU  11          HB1       GLU  11 -17.047  -5.912  -8.294
   94   2HB   GLU  11          HB2       GLU  11 -18.104  -7.130  -7.593
   95   1HG   GLU  11          HG1       GLU  11 -20.024  -6.126  -8.425
   96   2HG   GLU  11          HG2       GLU  11 -19.221  -4.575  -8.672
   97    H    LYS  12           HN       LYS  12 -15.447  -5.168  -6.419
   98    HA   LYS  12           HA       LYS  12 -14.986  -7.347  -4.604
   99   1HB   LYS  12          HB2       LYS  12 -13.297  -5.435  -6.138
  100   2HB   LYS  12          HB1       LYS  12 -12.584  -6.188  -4.719
  101   1HG   LYS  12          HG2       LYS  12 -12.538  -8.254  -5.663
  102   2HG   LYS  12          HG1       LYS  12 -13.966  -7.953  -6.656
  103   1HD   LYS  12          HD1       LYS  12 -12.019  -8.113  -8.074
  104   2HD   LYS  12          HD2       LYS  12 -12.617  -6.453  -8.082
  105   1HE   LYS  12          HE1       LYS  12 -10.588  -5.767  -7.500
  106   2HE   LYS  12          HE2       LYS  12 -10.783  -6.611  -5.964
  107   1HZ   LYS  12          HZ1       LYS  12  -9.981  -8.224  -8.253
  108   2HZ   LYS  12          HZ2       LYS  12  -9.495  -8.322  -6.636
  109   3HZ   LYS  12          HZ3       LYS  12  -8.826  -7.145  -7.649
  110    H    LEU  13           HN       LEU  13 -15.270  -3.896  -4.438
  111    HA   LEU  13           HA       LEU  13 -14.036  -3.390  -1.990
  112   1HB   LEU  13          HB1       LEU  13 -16.360  -2.038  -3.347
  113   2HB   LEU  13          HB2       LEU  13 -15.596  -1.417  -1.897
  114    HG   LEU  13           HG       LEU  13 -14.096  -1.900  -4.468
  115   1HD1  LEU  13          HD11      LEU  13 -15.125  -0.124  -5.320
  116   2HD1  LEU  13          HD12      LEU  13 -14.344   0.841  -4.069
  117   3HD1  LEU  13          HD13      LEU  13 -15.964   0.197  -3.802
  118   1HD2  LEU  13          HD21      LEU  13 -13.467  -0.458  -1.905
  119   2HD2  LEU  13          HD22      LEU  13 -12.538  -0.239  -3.388
  120   3HD2  LEU  13          HD23      LEU  13 -12.617  -1.826  -2.622
  121    H    LYS  14           HN       LYS  14 -17.195  -4.697  -2.737
  122    HA   LYS  14           HA       LYS  14 -18.445  -4.294  -0.278
  123   1HB   LYS  14          HB1       LYS  14 -18.935  -5.824  -2.668
  124   2HB   LYS  14          HB2       LYS  14 -19.362  -6.768  -1.247
  125   1HG   LYS  14          HG1       LYS  14 -21.032  -5.330  -0.620
  126   2HG   LYS  14          HG2       LYS  14 -20.294  -3.948  -1.432
  127   1HD   LYS  14          HD2       LYS  14 -20.934  -4.808  -3.587
  128   2HD   LYS  14          HD1       LYS  14 -21.540  -6.296  -2.855
  129   1HE   LYS  14          HE1       LYS  14 -23.278  -5.080  -1.710
  130   2HE   LYS  14          HE2       LYS  14 -22.626  -3.544  -2.279
  131   1HZ   LYS  14          HZ1       LYS  14 -24.148  -3.805  -3.884
  132   2HZ   LYS  14          HZ2       LYS  14 -24.273  -5.478  -3.667
  133   3HZ   LYS  14          HZ3       LYS  14 -23.005  -4.837  -4.584
  134    H    GLU  15           HN       GLU  15 -16.566  -7.118  -1.386
  135    HA   GLU  15           HA       GLU  15 -16.791  -8.448   1.144
  136   1HB   GLU  15          HB1       GLU  15 -15.440  -8.965  -1.443
  137   2HB   GLU  15          HB2       GLU  15 -14.731  -9.730  -0.028
  138   1HG   GLU  15          HG2       GLU  15 -17.661  -9.960  -0.555
  139   2HG   GLU  15          HG1       GLU  15 -16.514 -10.993  -1.406
  140    H    LEU  16           HN       LEU  16 -14.283  -6.575  -0.479
  141    HA   LEU  16           HA       LEU  16 -12.509  -6.802   1.814
  142   1HB   LEU  16          HB1       LEU  16 -10.845  -5.737   0.464
  143   2HB   LEU  16          HB2       LEU  16 -11.609  -7.005  -0.476
  144    HG   LEU  16           HG       LEU  16 -13.104  -4.853  -1.195
  145   1HD1  LEU  16          HD11      LEU  16 -10.657  -3.486  -1.659
  146   2HD1  LEU  16          HD12      LEU  16 -10.829  -3.766   0.074
  147   3HD1  LEU  16          HD13      LEU  16 -12.098  -2.920  -0.812
  148   1HD2  LEU  16          HD21      LEU  16 -11.790  -4.865  -3.266
  149   2HD2  LEU  16          HD22      LEU  16 -12.147  -6.497  -2.702
  150   3HD2  LEU  16          HD23      LEU  16 -10.541  -5.811  -2.456
  151    H    SER  17           HN       SER  17 -15.117  -5.198   1.702
  152    HA   SER  17           HA       SER  17 -15.198  -2.599   1.586
  153   1HB   SER  17          HB2       SER  17 -15.915  -4.152   4.076
  154   2HB   SER  17          HB1       SER  17 -16.451  -2.507   3.743
  155    HG   SER  17           HG       SER  17 -17.762  -4.540   3.081
  156    H    VAL  18           HN       VAL  18 -13.235  -1.586   1.554
  157    HA   VAL  18           HA       VAL  18 -11.383  -1.549   3.671
  158    HB   VAL  18           HB       VAL  18 -11.828   0.518   1.524
  159   1HG1  VAL  18          HG11      VAL  18 -10.149   0.552   3.787
  160   2HG1  VAL  18          HG12      VAL  18 -10.191   1.690   2.440
  161   3HG1  VAL  18          HG13      VAL  18  -9.119   0.290   2.379
  162   1HG2  VAL  18          HG21      VAL  18 -10.637  -0.738   0.078
  163   2HG2  VAL  18          HG22      VAL  18 -11.203  -2.064   1.094
  164   3HG2  VAL  18          HG23      VAL  18  -9.591  -1.390   1.340
  165    H    GLU  19           HN       GLU  19 -14.304   0.137   3.072
  166    HA   GLU  19           HA       GLU  19 -14.189   2.471   4.451
  167   1HB   GLU  19          HB1       GLU  19 -16.595   1.963   5.086
  168   2HB   GLU  19          HB2       GLU  19 -16.212   1.816   3.373
  169   1HG   GLU  19          HG2       GLU  19 -15.947  -0.632   3.693
  170   2HG   GLU  19          HG1       GLU  19 -16.463  -0.425   5.362
  171    H    LYS  20           HN       LYS  20 -14.333  -0.767   5.803
  172    HA   LYS  20           HA       LYS  20 -14.681   0.184   8.510
  173   1HB   LYS  20          HB1       LYS  20 -13.898  -2.633   8.131
  174   2HB   LYS  20          HB2       LYS  20 -15.230  -1.949   9.048
  175   1HG   LYS  20          HG2       LYS  20 -16.441  -1.608   6.890
  176   2HG   LYS  20          HG1       LYS  20 -15.146  -2.497   6.092
  177   1HD   LYS  20          HD1       LYS  20 -15.975  -4.458   6.731
  178   2HD   LYS  20          HD2       LYS  20 -16.154  -3.917   8.403
  179   1HE   LYS  20          HE2       LYS  20 -18.134  -2.571   6.962
  180   2HE   LYS  20          HE1       LYS  20 -18.150  -4.223   6.348
  181   1HZ   LYS  20          HZ1       LYS  20 -19.400  -4.658   8.123
  182   2HZ   LYS  20          HZ2       LYS  20 -18.991  -3.212   8.899
  183   3HZ   LYS  20          HZ3       LYS  20 -17.976  -4.558   9.029
  184    H    TRP  21           HN       TRP  21 -12.030  -0.041   6.507
  185    HA   TRP  21           HA       TRP  21 -10.165  -0.914   8.556
  186   1HB   TRP  21          HB2       TRP  21  -9.497   0.140   5.806
  187   2HB   TRP  21          HB1       TRP  21  -8.499  -0.867   6.846
  188    HD1  TRP  21           HD1      TRP  21 -11.789  -2.412   7.008
  189    HE1  TRP  21           HE1      TRP  21 -12.039  -4.315   5.309
  190    HE3  TRP  21           HE3      TRP  21  -7.721  -1.416   4.062
  191    HZ2  TRP  21           HZ2      TRP  21 -10.685  -5.291   3.034
  192    HZ3  TRP  21           HZ3      TRP  21  -7.272  -2.892   2.145
  193    HH2  TRP  21           HH2      TRP  21  -8.724  -4.789   1.643
  194    HA   PRO  22           HA       PRO  22  -9.111   3.057  10.204
  195   1HB   PRO  22          HB2       PRO  22  -6.329   2.695  10.228
  196   2HB   PRO  22          HB1       PRO  22  -7.436   2.310  11.542
  197   1HG   PRO  22          HG2       PRO  22  -6.227   0.535   9.503
  198   2HG   PRO  22          HG1       PRO  22  -6.659   0.182  11.179
  199   1HD   PRO  22          HD1       PRO  22  -8.130  -0.715   9.111
  200   2HD   PRO  22          HD2       PRO  22  -8.877  -0.232  10.648
  201    H    ILE  23           HN       ILE  23  -7.093   4.694   9.755
  202    HA   ILE  23           HA       ILE  23  -6.672   4.858   6.863
  203    HB   ILE  23           HB       ILE  23  -7.450   7.346   8.346
  204   1HG1  ILE  23          HG11      ILE  23  -9.277   5.700   8.687
  205   2HG1  ILE  23          HG12      ILE  23  -9.771   7.055   7.677
  206   1HG2  ILE  23          HG21      ILE  23  -8.372   7.308   5.691
  207   2HG2  ILE  23          HG22      ILE  23  -6.739   6.643   5.668
  208   3HG2  ILE  23          HG23      ILE  23  -7.032   8.237   6.361
  209   1HD1  ILE  23          HD11      ILE  23 -10.084   4.370   7.116
  210   2HD1  ILE  23          HD12      ILE  23  -8.736   4.873   6.096
  211   3HD1  ILE  23          HD13      ILE  23 -10.282   5.714   5.991
  212    H    TRP  24           HN       TRP  24  -4.867   6.046   6.212
  213    HA   TRP  24           HA       TRP  24  -3.044   6.860   8.381
  214   1HB   TRP  24          HB1       TRP  24  -2.565   4.710   6.861
  215   2HB   TRP  24          HB2       TRP  24  -1.914   5.942   5.783
  216    HD1  TRP  24           HD1      TRP  24  -1.569   5.343   9.615
  217    HE1  TRP  24           HE1      TRP  24   0.926   5.526  10.215
  218    HE3  TRP  24           HE3      TRP  24   0.322   6.262   4.954
  219    HZ2  TRP  24           HZ2      TRP  24   3.373   5.996   8.888
  220    HZ3  TRP  24           HZ3      TRP  24   2.751   6.567   4.707
  221    HH2  TRP  24           HH2      TRP  24   4.245   6.436   6.634
  222    H    GLU  25           HN       GLU  25  -1.334   8.424   7.605
  223    HA   GLU  25           HA       GLU  25  -2.101  10.043   5.317
  224   1HB   GLU  25          HB1       GLU  25  -1.790  11.526   7.893
  225   2HB   GLU  25          HB2       GLU  25  -2.660  11.987   6.437
  226   1HG   GLU  25          HG1       GLU  25  -4.358  10.246   6.989
  227   2HG   GLU  25          HG2       GLU  25  -3.520   9.993   8.518
  228    H    LYS  26           HN       LYS  26  -0.375  10.910   4.342
  229    HA   LYS  26           HA       LYS  26   1.976  11.657   5.819
  230   1HB   LYS  26          HB2       LYS  26   2.147   9.139   5.349
  231   2HB   LYS  26          HB1       LYS  26   2.366   9.595   3.665
  232   1HG   LYS  26          HG2       LYS  26   4.477   9.184   4.932
  233   2HG   LYS  26          HG1       LYS  26   4.372  10.764   4.152
  234   1HD   LYS  26          HD2       LYS  26   3.320  10.772   6.869
  235   2HD   LYS  26          HD1       LYS  26   5.013  10.297   6.792
  236   1HE   LYS  26          HE2       LYS  26   5.669  12.374   6.376
  237   2HE   LYS  26          HE1       LYS  26   4.497  12.551   5.069
  238   1HZ   LYS  26          HZ1       LYS  26   4.285  13.313   7.884
  239   2HZ   LYS  26          HZ2       LYS  26   2.873  12.784   7.116
  240   3HZ   LYS  26          HZ3       LYS  26   3.723  14.112   6.503
  241    H    GLU  27           HN       GLU  27   2.762  13.442   4.947
  242    HA   GLU  27           HA       GLU  27   1.897  14.182   2.264
  243   1HB   GLU  27          HB1       GLU  27   3.485  15.995   4.040
  244   2HB   GLU  27          HB2       GLU  27   2.246  16.400   2.861
  245   1HG   GLU  27          HG1       GLU  27   0.579  15.324   4.406
  246   2HG   GLU  27          HG2       GLU  27   1.867  15.241   5.606
  247    H    VAL  28           HN       VAL  28   3.137  13.628   0.645
  248    HA   VAL  28           HA       VAL  28   5.051  12.818  -0.439
  249    HB   VAL  28           HB       VAL  28   5.819  15.681   0.092
  250   1HG1  VAL  28          HG11      VAL  28   7.184  15.542  -1.695
  251   2HG1  VAL  28          HG12      VAL  28   6.094  14.475  -2.579
  252   3HG1  VAL  28          HG13      VAL  28   7.154  13.816  -1.336
  253   1HG2  VAL  28          HG21      VAL  28   3.689  16.081  -0.574
  254   2HG2  VAL  28          HG22      VAL  28   3.539  14.530  -1.400
  255   3HG2  VAL  28          HG23      VAL  28   4.410  15.858  -2.168
  256    H    SER  29           HN       SER  29   5.503  11.995   2.187
  257    HA   SER  29           HA       SER  29   8.181  12.905   2.890
  258   1HB   SER  29          HB2       SER  29   6.635  12.636   4.728
  259   2HB   SER  29          HB1       SER  29   6.297  10.972   4.256
  260    HG   SER  29           HG       SER  29   8.227  11.873   5.844
  261    H    GLU  30           HN       GLU  30   9.490  10.846   3.854
  262    HA   GLU  30           HA       GLU  30   9.522   8.731   1.821
  263   1HB   GLU  30          HB2       GLU  30  12.031  10.054   2.871
  264   2HB   GLU  30          HB1       GLU  30  11.924   8.816   1.628
  265   1HG   GLU  30          HG2       GLU  30  10.529  10.536   0.327
  266   2HG   GLU  30          HG1       GLU  30  11.185  11.710   1.467
  267    H    PHE  31           HN       PHE  31   9.545   6.765   2.737
  268    HA   PHE  31           HA       PHE  31  10.392   6.585   5.552
  269   1HB   PHE  31          HB1       PHE  31   7.974   5.507   4.147
  270   2HB   PHE  31          HB2       PHE  31   8.585   4.703   5.590
  271    HD1  PHE  31           HD1      PHE  31   7.494   5.243   7.517
  272    HD2  PHE  31           HD2      PHE  31   7.931   8.215   4.505
  273    HE1  PHE  31           HE1      PHE  31   6.278   6.847   8.930
  274    HE2  PHE  31           HE2      PHE  31   6.717   9.826   5.912
  275    HZ   PHE  31           HZ       PHE  31   5.843   9.129   8.099
  276    H    ASP  32           HN       ASP  32  11.330   4.700   6.277
  277    HA   ASP  32           HA       ASP  32  12.431   2.933   4.204
  278   1HB   ASP  32          HB2       ASP  32  13.928   2.126   6.050
  279   2HB   ASP  32          HB1       ASP  32  14.127   3.836   5.677
  280    H    TRP  33           HN       TRP  33  11.357   1.068   3.879
  281    HA   TRP  33           HA       TRP  33   9.628   0.129   6.062
  282   1HB   TRP  33          HB1       TRP  33   8.750   0.937   3.724
  283   2HB   TRP  33          HB2       TRP  33   9.211  -0.684   3.214
  284    HD1  TRP  33           HD1      TRP  33   7.639   0.078   6.643
  285    HE1  TRP  33           HE1      TRP  33   5.370  -1.129   6.776
  286    HE3  TRP  33           HE3      TRP  33   7.369  -1.666   1.849
  287    HZ2  TRP  33           HZ2      TRP  33   3.687  -2.624   5.069
  288    HZ3  TRP  33           HZ3      TRP  33   5.399  -2.975   1.177
  289    HH2  TRP  33           HH2      TRP  33   3.597  -3.445   2.755
  290    H    TYR  34           HN       TYR  34   9.690  -1.858   6.807
  291    HA   TYR  34           HA       TYR  34  11.220  -3.914   5.387
  292   1HB   TYR  34          HB2       TYR  34  12.764  -3.204   7.067
  293   2HB   TYR  34          HB1       TYR  34  11.504  -3.136   8.293
  294    HD1  TYR  34           HD1      TYR  34  12.030  -5.897   5.886
  295    HD2  TYR  34           HD2      TYR  34  12.439  -4.583   9.913
  296    HE1  TYR  34           HE1      TYR  34  12.581  -8.194   6.573
  297    HE2  TYR  34           HE2      TYR  34  12.991  -6.877  10.610
  298    HH   TYR  34           HH       TYR  34  14.051  -8.999   9.281
  299    H    TYR  35           HN       TYR  35   9.769  -5.437   4.917
  300    HA   TYR  35           HA       TYR  35   7.317  -5.668   6.371
  301   1HB   TYR  35          HB2       TYR  35   8.044  -6.159   3.808
  302   2HB   TYR  35          HB1       TYR  35   8.024  -7.797   4.451
  303    HD1  TYR  35           HD1      TYR  35   5.910  -4.714   4.487
  304    HD2  TYR  35           HD2      TYR  35   6.047  -8.960   4.316
  305    HE1  TYR  35           HE1      TYR  35   3.467  -4.778   4.217
  306    HE2  TYR  35           HE2      TYR  35   3.606  -9.034   4.049
  307    HH   TYR  35           HH       TYR  35   1.806  -6.804   3.037
  308    H    ASP  36           HN       ASP  36   6.609  -7.244   7.713
  309    HA   ASP  36           HA       ASP  36   8.200  -9.620   8.192
  310   1HB   ASP  36          HB1       ASP  36   9.135  -7.781   9.672
  311   2HB   ASP  36          HB2       ASP  36   7.588  -7.787  10.513
  312    H    THR  37           HN       THR  37   5.409  -8.708   7.350
  313    HA   THR  37           HA       THR  37   3.983 -10.825   8.600
  314    HB   THR  37           HB       THR  37   3.138  -8.006   9.310
  315    HG1  THR  37           HG1      THR  37   3.920 -10.112  11.031
  316   1HG2  THR  37          HG21      THR  37   1.771  -9.958  10.827
  317   2HG2  THR  37          HG22      THR  37   1.564 -10.344   9.118
  318   3HG2  THR  37          HG23      THR  37   1.111  -8.751   9.723
  319    H    ASN  38           HN       ASN  38   2.450 -11.528   7.231
  320    HA   ASN  38           HA       ASN  38   2.107 -10.339   4.700
  321   1HB   ASN  38          HB1       ASN  38   1.116 -12.700   6.106
  322   2HB   ASN  38          HB2       ASN  38  -0.083 -12.008   5.019
  323   1HD2  ASN  38          HD21      ASN  38   0.413 -11.833   2.797
  324   2HD2  ASN  38          HD22      ASN  38   1.611 -12.846   2.073
  325    H    GLU  39           HN       GLU  39   1.252  -8.347   4.567
  326    HA   GLU  39           HA       GLU  39  -1.450  -7.981   5.652
  327   1HB   GLU  39          HB1       GLU  39  -0.915  -6.176   6.881
  328   2HB   GLU  39          HB2       GLU  39   0.731  -6.763   6.760
  329   1HG   GLU  39          HG2       GLU  39   0.758  -5.292   4.582
  330   2HG   GLU  39          HG1       GLU  39  -0.569  -4.464   5.397
  331    H    THR  40           HN       THR  40  -2.632  -6.168   4.627
  332    HA   THR  40           HA       THR  40  -1.767  -5.559   1.894
  333    HB   THR  40           HB       THR  40  -4.463  -6.701   2.661
  334    HG1  THR  40           HG1      THR  40  -3.058  -8.345   2.323
  335   1HG2  THR  40          HG21      THR  40  -5.265  -6.376   0.520
  336   2HG2  THR  40          HG22      THR  40  -3.664  -6.032  -0.136
  337   3HG2  THR  40          HG23      THR  40  -4.470  -4.846   0.891
  338    H    CYS  41           HN       CYS  41  -2.305  -3.495   1.229
  339    HA   CYS  41           HA       CYS  41  -4.028  -1.944   3.045
  340   1HB   CYS  41          HB2       CYS  41  -1.738  -0.528   1.789
  341   2HB   CYS  41          HB1       CYS  41  -2.517  -0.258   3.344
  342    HG   CYS  41           HG       CYS  41  -0.158  -1.185   3.813
  343    H    TYR  42           HN       TYR  42  -5.068  -0.113   2.102
  344    HA   TYR  42           HA       TYR  42  -5.205  -0.196  -0.839
  345   1HB   TYR  42          HB1       TYR  42  -7.231  -1.169  -0.179
  346   2HB   TYR  42          HB2       TYR  42  -7.393  -0.116   1.220
  347    HD1  TYR  42           HD1      TYR  42  -8.374   2.077   1.026
  348    HD2  TYR  42           HD2      TYR  42  -7.894  -0.392  -2.405
  349    HE1  TYR  42           HE1      TYR  42  -9.891   3.543  -0.233
  350    HE2  TYR  42           HE2      TYR  42  -9.411   1.071  -3.675
  351    HH   TYR  42           HH       TYR  42 -10.149   3.531  -3.530
  352    H    ILE  43           HN       ILE  43  -4.876   1.685  -1.849
  353    HA   ILE  43           HA       ILE  43  -4.267   4.052  -0.358
  354    HB   ILE  43           HB       ILE  43  -4.541   3.632  -3.336
  355   1HG1  ILE  43          HG11      ILE  43  -2.724   2.389  -1.999
  356   2HG1  ILE  43          HG12      ILE  43  -2.216   3.305  -3.413
  357   1HG2  ILE  43          HG21      ILE  43  -3.083   5.752  -3.376
  358   2HG2  ILE  43          HG22      ILE  43  -3.684   6.017  -1.739
  359   3HG2  ILE  43          HG23      ILE  43  -4.814   5.927  -3.090
  360   1HD1  ILE  43          HD11      ILE  43  -0.771   3.505  -1.361
  361   2HD1  ILE  43          HD12      ILE  43  -2.089   4.426  -0.633
  362   3HD1  ILE  43          HD13      ILE  43  -1.298   5.022  -2.094
  363    H    LEU  44           HN       LEU  44  -5.328   6.089  -0.502
  364    HA   LEU  44           HA       LEU  44  -8.161   5.923  -1.303
  365   1HB   LEU  44          HB2       LEU  44  -7.930   5.941   1.138
  366   2HB   LEU  44          HB1       LEU  44  -6.998   7.423   1.045
  367    HG   LEU  44           HG       LEU  44  -9.096   8.430  -0.079
  368   1HD1  LEU  44          HD21      LEU  44 -10.606   6.810  -0.531
  369   2HD1  LEU  44          HD22      LEU  44 -11.112   7.145   1.125
  370   3HD1  LEU  44          HD23      LEU  44 -10.055   5.774   0.786
  371   1HD2  LEU  44          HD11      LEU  44  -9.285   7.664   2.829
  372   2HD2  LEU  44          HD12      LEU  44  -9.977   9.084   2.043
  373   3HD2  LEU  44          HD13      LEU  44  -8.227   8.932   2.206
  374    H    GLU  45           HN       GLU  45  -5.320   7.982  -0.941
  375    HA   GLU  45           HA       GLU  45  -5.878   9.440  -3.300
  376   1HB   GLU  45          HB2       GLU  45  -6.285  11.656  -2.289
  377   2HB   GLU  45          HB1       GLU  45  -7.582  10.520  -1.942
  378   1HG   GLU  45          HG2       GLU  45  -6.423  10.091   0.268
  379   2HG   GLU  45          HG1       GLU  45  -5.433  11.505  -0.095
  380    H    GLY  46           HN       GLY  46  -3.810   9.385  -3.967
  381   1HA   GLY  46          HA2       GLY  46  -1.850  11.082  -3.397
  382   2HA   GLY  46          HA1       GLY  46  -1.660   9.932  -2.079
  383    H    LYS  47           HN       LYS  47   0.523   9.881  -3.339
  384    HA   LYS  47           HA       LYS  47   0.400   7.478  -4.960
  385   1HB   LYS  47          HB1       LYS  47   0.423   9.811  -6.311
  386   2HB   LYS  47          HB2       LYS  47   2.154   9.562  -6.108
  387   1HG   LYS  47          HG2       LYS  47   0.343   7.426  -7.169
  388   2HG   LYS  47          HG1       LYS  47   1.094   8.631  -8.218
  389   1HD   LYS  47          HD1       LYS  47   2.747   7.034  -6.304
  390   2HD   LYS  47          HD2       LYS  47   2.278   6.354  -7.864
  391   1HE   LYS  47          HE1       LYS  47   4.018   8.721  -7.279
  392   2HE   LYS  47          HE2       LYS  47   4.363   7.310  -8.276
  393   1HZ   LYS  47          HZ1       LYS  47   2.773   9.692  -8.922
  394   2HZ   LYS  47          HZ2       LYS  47   2.410   8.228  -9.689
  395   3HZ   LYS  47          HZ3       LYS  47   3.952   8.906  -9.845
  396    H    VAL  48           HN       VAL  48   1.823   6.123  -4.236
  397    HA   VAL  48           HA       VAL  48   4.364   7.139  -3.143
  398    HB   VAL  48           HB       VAL  48   2.619   4.894  -2.141
  399   1HG1  VAL  48          HG21      VAL  48   4.698   4.808  -0.430
  400   2HG1  VAL  48          HG22      VAL  48   5.552   5.182  -1.928
  401   3HG1  VAL  48          HG23      VAL  48   4.543   3.738  -1.825
  402   1HG2  VAL  48          HG11      VAL  48   2.121   6.264  -0.464
  403   2HG2  VAL  48          HG12      VAL  48   2.873   7.548  -1.410
  404   3HG2  VAL  48          HG13      VAL  48   3.816   6.677  -0.202
  405    H    GLU  49           HN       GLU  49   6.190   6.254  -3.934
  406    HA   GLU  49           HA       GLU  49   5.887   4.063  -5.874
  407   1HB   GLU  49          HB2       GLU  49   8.027   6.194  -5.694
  408   2HB   GLU  49          HB1       GLU  49   7.995   4.893  -6.876
  409   1HG   GLU  49          HG1       GLU  49   5.814   5.777  -7.692
  410   2HG   GLU  49          HG2       GLU  49   6.019   7.143  -6.600
  411    H    VAL  50           HN       VAL  50   6.610   2.165  -5.236
  412    HA   VAL  50           HA       VAL  50   8.489   2.031  -2.996
  413    HB   VAL  50           HB       VAL  50   6.697  -0.076  -4.214
  414   1HG1  VAL  50          HG11      VAL  50   8.729  -0.230  -2.020
  415   2HG1  VAL  50          HG12      VAL  50   8.486  -1.314  -3.392
  416   3HG1  VAL  50          HG13      VAL  50   7.337  -1.312  -2.051
  417   1HG2  VAL  50          HG21      VAL  50   6.507   1.124  -1.467
  418   2HG2  VAL  50          HG22      VAL  50   5.302   0.179  -2.342
  419   3HG2  VAL  50          HG23      VAL  50   5.681   1.823  -2.859
  420    H    THR  51           HN       THR  51  10.471   1.155  -3.141
  421    HA   THR  51           HA       THR  51  11.224  -0.192  -5.643
  422    HB   THR  51           HB       THR  51  13.172   1.531  -4.135
  423    HG1  THR  51           HG1      THR  51  12.653   3.182  -5.663
  424   1HG2  THR  51          HG21      THR  51  13.353  -0.095  -6.429
  425   2HG2  THR  51          HG22      THR  51  14.581   0.959  -5.727
  426   3HG2  THR  51          HG23      THR  51  13.482   1.584  -6.956
  427    H    THR  52           HN       THR  52  11.689  -2.232  -5.168
  428    HA   THR  52           HA       THR  52  12.572  -2.933  -2.487
  429    HB   THR  52           HB       THR  52  12.060  -5.191  -3.058
  430    HG1  THR  52           HG1      THR  52  12.177  -5.925  -5.022
  431   1HG2  THR  52          HG21      THR  52  10.129  -3.276  -3.182
  432   2HG2  THR  52          HG22      THR  52   9.848  -5.017  -3.177
  433   3HG2  THR  52          HG23      THR  52   9.902  -4.137  -4.704
  434    H    GLU  53           HN       GLU  53  14.406  -4.259  -2.075
  435    HA   GLU  53           HA       GLU  53  16.759  -3.424  -3.326
  436   1HB   GLU  53          HB1       GLU  53  16.083  -5.658  -1.444
  437   2HB   GLU  53          HB2       GLU  53  17.695  -5.561  -2.139
  438   1HG   GLU  53          HG1       GLU  53  17.095  -2.989  -1.198
  439   2HG   GLU  53          HG2       GLU  53  16.574  -4.114   0.056
  440    H    ASP  54           HN       ASP  54  14.868  -6.391  -3.723
  441    HA   ASP  54           HA       ASP  54  16.531  -7.839  -5.372
  442   1HB   ASP  54          HB2       ASP  54  14.073  -8.272  -4.431
  443   2HB   ASP  54          HB1       ASP  54  13.632  -7.781  -6.064
  444    H    GLY  55           HN       GLY  55  14.567  -5.048  -6.137
  445   1HA   GLY  55          HA1       GLY  55  15.432  -3.648  -7.972
  446   2HA   GLY  55          HA2       GLY  55  15.645  -5.132  -8.887
  447    H    LYS  56           HN       LYS  56  12.830  -4.624  -6.904
  448    HA   LYS  56           HA       LYS  56  11.197  -4.567  -9.339
  449   1HB   LYS  56          HB1       LYS  56  10.200  -5.068  -6.539
  450   2HB   LYS  56          HB2       LYS  56   9.420  -5.479  -8.061
  451   1HG   LYS  56          HG1       LYS  56  11.910  -6.742  -6.934
  452   2HG   LYS  56          HG2       LYS  56  10.301  -7.465  -7.006
  453   1HD   LYS  56          HD2       LYS  56  10.771  -6.712  -9.614
  454   2HD   LYS  56          HD1       LYS  56  12.355  -7.264  -9.063
  455   1HE   LYS  56          HE2       LYS  56  10.312  -9.063  -8.153
  456   2HE   LYS  56          HE1       LYS  56  10.180  -8.832  -9.896
  457   1HZ   LYS  56          HZ1       LYS  56  11.777 -10.623  -8.869
  458   2HZ   LYS  56          HZ2       LYS  56  12.840  -9.310  -8.780
  459   3HZ   LYS  56          HZ3       LYS  56  12.196  -9.777 -10.272
  460    H    LYS  57           HN       LYS  57   8.982  -3.413  -8.897
  461    HA   LYS  57           HA       LYS  57   9.180  -1.035  -7.287
  462   1HB   LYS  57          HB1       LYS  57  10.343  -0.718  -9.644
  463   2HB   LYS  57          HB2       LYS  57   8.682  -0.494 -10.177
  464   1HG   LYS  57          HG1       LYS  57   8.420   1.459  -8.990
  465   2HG   LYS  57          HG2       LYS  57   9.691   1.049  -7.836
  466   1HD   LYS  57          HD1       LYS  57  10.361   1.501 -10.715
  467   2HD   LYS  57          HD2       LYS  57  10.138   2.873  -9.627
  468   1HE   LYS  57          HE2       LYS  57  11.788   1.608  -8.085
  469   2HE   LYS  57          HE1       LYS  57  12.209   0.713  -9.545
  470   1HZ   LYS  57          HZ1       LYS  57  12.222   3.668  -9.488
  471   2HZ   LYS  57          HZ2       LYS  57  12.990   2.632 -10.582
  472   3HZ   LYS  57          HZ3       LYS  57  13.569   2.770  -8.999
  473    H    TYR  58           HN       TYR  58   7.190  -0.143  -6.831
  474    HA   TYR  58           HA       TYR  58   4.869  -1.274  -8.237
  475   1HB   TYR  58          HB2       TYR  58   4.699  -0.817  -5.287
  476   2HB   TYR  58          HB1       TYR  58   3.795  -1.938  -6.298
  477    HD1  TYR  58           HD1      TYR  58   5.546  -3.680  -7.544
  478    HD2  TYR  58           HD2      TYR  58   6.046  -1.848  -3.736
  479    HE1  TYR  58           HE1      TYR  58   7.047  -5.508  -6.866
  480    HE2  TYR  58           HE2      TYR  58   7.546  -3.671  -3.048
  481    HH   TYR  58           HH       TYR  58   8.285  -5.751  -3.576
  482    H    VAL  59           HN       VAL  59   3.823   0.361  -9.139
  483    HA   VAL  59           HA       VAL  59   3.781   2.962  -7.777
  484    HB   VAL  59           HB       VAL  59   4.577   3.135 -10.037
  485   1HG1  VAL  59          HG21      VAL  59   3.762   1.149 -11.043
  486   2HG1  VAL  59          HG22      VAL  59   3.070   2.497 -11.946
  487   3HG1  VAL  59          HG23      VAL  59   2.083   1.621 -10.776
  488   1HG2  VAL  59          HG11      VAL  59   3.450   5.018 -10.428
  489   2HG2  VAL  59          HG12      VAL  59   2.458   4.586  -9.035
  490   3HG2  VAL  59          HG13      VAL  59   1.929   4.156 -10.662
  491    H    ILE  60           HN       ILE  60   1.996   3.562  -6.739
  492    HA   ILE  60           HA       ILE  60  -0.597   2.520  -7.625
  493    HB   ILE  60           HB       ILE  60  -1.256   2.165  -5.239
  494   1HG1  ILE  60          HG11      ILE  60   1.713   2.168  -4.676
  495   2HG1  ILE  60          HG12      ILE  60   0.685   3.556  -4.341
  496   1HG2  ILE  60          HG21      ILE  60   0.977   0.293  -5.582
  497   2HG2  ILE  60          HG22      ILE  60  -0.070   0.469  -6.993
  498   3HG2  ILE  60          HG23      ILE  60  -0.755  -0.013  -5.442
  499   1HD1  ILE  60          HD11      ILE  60   0.733   0.885  -3.025
  500   2HD1  ILE  60          HD12      ILE  60  -0.731   1.866  -2.990
  501   3HD1  ILE  60          HD13      ILE  60   0.768   2.496  -2.306
  502    H    GLU  61           HN       GLU  61  -2.067   4.092  -7.803
  503    HA   GLU  61           HA       GLU  61  -1.834   6.443  -6.070
  504   1HB   GLU  61          HB2       GLU  61  -0.849   6.675  -8.497
  505   2HB   GLU  61          HB1       GLU  61  -2.540   6.838  -8.950
  506   1HG   GLU  61          HG1       GLU  61  -2.804   8.768  -7.587
  507   2HG   GLU  61          HG2       GLU  61  -1.220   8.534  -6.849
  508    H    LYS  62           HN       LYS  62  -3.644   6.732  -5.034
  509    HA   LYS  62           HA       LYS  62  -5.840   6.842  -4.492
  510   1HB   LYS  62          HB1       LYS  62  -5.543   8.238  -6.748
  511   2HB   LYS  62          HB2       LYS  62  -6.654   7.014  -7.346
  512   1HG   LYS  62          HG2       LYS  62  -7.111   8.893  -5.040
  513   2HG   LYS  62          HG1       LYS  62  -7.893   8.938  -6.621
  514   1HD   LYS  62          HD1       LYS  62  -9.025   6.874  -6.199
  515   2HD   LYS  62          HD2       LYS  62  -8.100   6.610  -4.719
  516   1HE   LYS  62          HE2       LYS  62  -9.825   7.547  -3.661
  517   2HE   LYS  62          HE1       LYS  62  -9.217   9.076  -4.295
  518   1HZ   LYS  62          HZ1       LYS  62 -11.603   7.642  -4.975
  519   2HZ   LYS  62          HZ2       LYS  62 -10.703   8.074  -6.339
  520   3HZ   LYS  62          HZ3       LYS  62 -11.206   9.264  -5.247
  521    H    GLY  63           HN       GLY  63  -6.628   5.016  -3.699
  522   1HA   GLY  63          HA2       GLY  63  -8.002   3.182  -3.609
  523   2HA   GLY  63          HA1       GLY  63  -8.362   3.440  -5.305
  524    H    ASP  64           HN       ASP  64  -5.079   3.190  -5.151
  525    HA   ASP  64           HA       ASP  64  -5.172   0.511  -6.203
  526   1HB   ASP  64          HB2       ASP  64  -3.062   2.614  -5.916
  527   2HB   ASP  64          HB1       ASP  64  -2.575   0.949  -6.221
  528    H    LEU  65           HN       LEU  65  -4.664  -1.341  -5.202
  529    HA   LEU  65           HA       LEU  65  -3.490  -1.165  -2.513
  530   1HB   LEU  65          HB2       LEU  65  -4.841  -2.817  -1.667
  531   2HB   LEU  65          HB1       LEU  65  -5.938  -1.923  -2.691
  532    HG   LEU  65           HG       LEU  65  -4.631  -4.560  -3.354
  533   1HD1  LEU  65          HD21      LEU  65  -6.372  -4.844  -1.737
  534   2HD1  LEU  65          HD22      LEU  65  -6.985  -5.365  -3.307
  535   3HD1  LEU  65          HD23      LEU  65  -7.457  -3.796  -2.652
  536   1HD2  LEU  65          HD11      LEU  65  -6.524  -4.277  -5.213
  537   2HD2  LEU  65          HD12      LEU  65  -4.856  -3.757  -5.454
  538   3HD2  LEU  65          HD13      LEU  65  -6.086  -2.587  -4.985
  539    H    VAL  66           HN       VAL  66  -1.954  -2.726  -1.939
  540    HA   VAL  66           HA       VAL  66  -1.039  -4.529  -4.064
  541    HB   VAL  66           HB       VAL  66   0.783  -2.671  -2.531
  542   1HG1  VAL  66          HG21      VAL  66   2.522  -3.553  -4.067
  543   2HG1  VAL  66          HG22      VAL  66   1.355  -4.741  -4.649
  544   3HG1  VAL  66          HG23      VAL  66   1.880  -4.771  -2.966
  545   1HG2  VAL  66          HG11      VAL  66  -0.422  -2.571  -5.250
  546   2HG2  VAL  66          HG12      VAL  66   1.210  -1.944  -5.015
  547   3HG2  VAL  66          HG13      VAL  66  -0.135  -1.271  -4.093
  548    H    THR  67           HN       THR  67   0.189  -6.304  -3.383
  549    HA   THR  67           HA       THR  67  -0.093  -6.930  -0.521
  550    HB   THR  67           HB       THR  67   0.072  -8.746  -2.932
  551    HG1  THR  67           HG1      THR  67  -1.984  -8.017  -1.147
  552   1HG2  THR  67          HG21      THR  67  -0.495 -10.548  -1.248
  553   2HG2  THR  67          HG22      THR  67   0.074  -9.423  -0.014
  554   3HG2  THR  67          HG23      THR  67   1.173  -9.976  -1.277
  555    H    PHE  68           HN       PHE  68   1.634  -7.986   0.554
  556    HA   PHE  68           HA       PHE  68   4.191  -8.127  -0.837
  557   1HB   PHE  68          HB2       PHE  68   4.046  -6.690   1.802
  558   2HB   PHE  68          HB1       PHE  68   5.368  -6.719   0.641
  559    HD1  PHE  68           HD1      PHE  68   2.110  -5.268   1.456
  560    HD2  PHE  68           HD2      PHE  68   5.348  -5.298  -1.306
  561    HE1  PHE  68           HE1      PHE  68   1.275  -3.180   0.459
  562    HE2  PHE  68           HE2      PHE  68   4.518  -3.210  -2.308
  563    HZ   PHE  68           HZ       PHE  68   2.478  -2.148  -1.424
  564    HA   PRO  69           HA       PRO  69   4.375 -11.710   1.764
  565   1HB   PRO  69          HB1       PRO  69   6.772 -12.643   1.027
  566   2HB   PRO  69          HB2       PRO  69   5.408 -12.622  -0.094
  567   1HG   PRO  69          HG1       PRO  69   7.742 -10.768   0.090
  568   2HG   PRO  69          HG2       PRO  69   6.929 -11.409  -1.348
  569   1HD   PRO  69          HD2       PRO  69   6.499  -8.892  -0.268
  570   2HD   PRO  69          HD1       PRO  69   5.378  -9.743  -1.347
  571    H    LYS  70           HN       LYS  70   5.071 -12.258   3.767
  572    HA   LYS  70           HA       LYS  70   6.294 -10.490   5.478
  573   1HB   LYS  70          HB1       LYS  70   5.086 -12.460   6.265
  574   2HB   LYS  70          HB2       LYS  70   6.339 -13.510   5.617
  575   1HG   LYS  70          HG1       LYS  70   7.855 -12.945   7.263
  576   2HG   LYS  70          HG2       LYS  70   7.043 -11.422   7.631
  577   1HD   LYS  70          HD2       LYS  70   5.760 -12.384   9.180
  578   2HD   LYS  70          HD1       LYS  70   5.306 -13.694   8.084
  579   1HE   LYS  70          HE1       LYS  70   6.676 -15.106   9.115
  580   2HE   LYS  70          HE2       LYS  70   8.037 -14.003   8.913
  581   1HZ   LYS  70          HZ1       LYS  70   6.745 -12.821  10.910
  582   2HZ   LYS  70          HZ2       LYS  70   7.954 -13.981  11.147
  583   3HZ   LYS  70          HZ3       LYS  70   6.325 -14.431  11.219
  584    H    GLY  71           HN       GLY  71   8.222  -9.564   5.240
  585   1HA   GLY  71          HA2       GLY  71  10.639 -10.108   5.678
  586   2HA   GLY  71          HA1       GLY  71  10.477 -11.254   4.356
  587    H    LEU  72           HN       LEU  72   8.693  -9.325   2.919
  588    HA   LEU  72           HA       LEU  72  10.345  -8.249   1.077
  589   1HB   LEU  72          HB2       LEU  72   7.979  -8.175   0.773
  590   2HB   LEU  72          HB1       LEU  72   7.763  -7.146   2.172
  591    HG   LEU  72           HG       LEU  72   7.509  -6.060  -0.106
  592   1HD1  LEU  72          HD11      LEU  72   7.770  -4.183   1.026
  593   2HD1  LEU  72          HD12      LEU  72   9.523  -4.368   0.994
  594   3HD1  LEU  72          HD13      LEU  72   8.586  -5.093   2.296
  595   1HD2  LEU  72          HD21      LEU  72  10.357  -5.552  -0.335
  596   2HD2  LEU  72          HD22      LEU  72   9.183  -5.994  -1.574
  597   3HD2  LEU  72          HD23      LEU  72   9.948  -7.248  -0.596
  598    H    ARG  73           HN       ARG  73  11.740  -6.590   0.869
  599    HA   ARG  73           HA       ARG  73  11.784  -4.543   2.976
  600   1HB   ARG  73          HB1       ARG  73  13.699  -6.501   2.790
  601   2HB   ARG  73          HB2       ARG  73  14.416  -5.200   1.851
  602   1HG   ARG  73          HG2       ARG  73  13.941  -3.693   3.830
  603   2HG   ARG  73          HG1       ARG  73  13.584  -5.166   4.736
  604   1HD   ARG  73          HD2       ARG  73  16.086  -5.330   3.259
  605   2HD   ARG  73          HD1       ARG  73  16.068  -4.005   4.422
  606    HE   ARG  73           HE       ARG  73  15.144  -6.068   5.879
  607   1HH1  ARG  73          HH11      ARG  73  17.921  -5.704   3.811
  608   2HH1  ARG  73          HH12      ARG  73  18.895  -6.826   4.702
  609   1HH2  ARG  73          HH21      ARG  73  16.418  -7.549   7.060
  610   2HH2  ARG  73          HH22      ARG  73  18.040  -7.875   6.549
  611    H    CYS  74           HN       CYS  74  11.321  -2.679   2.028
  612    HA   CYS  74           HA       CYS  74  12.802  -1.857  -0.329
  613   1HB   CYS  74          HB2       CYS  74  10.739  -1.176  -1.539
  614   2HB   CYS  74          HB1       CYS  74  10.880  -2.921  -1.348
  615    HG   CYS  74           HG       CYS  74   8.707  -2.912  -0.249
  616    H    ARG  75           HN       ARG  75  12.528   0.433  -0.819
  617    HA   ARG  75           HA       ARG  75  12.036   1.964   1.632
  618   1HB   ARG  75          HB1       ARG  75  14.240   2.170   0.481
  619   2HB   ARG  75          HB2       ARG  75  13.409   2.838  -0.917
  620   1HG   ARG  75          HG2       ARG  75  12.827   4.184   1.623
  621   2HG   ARG  75          HG1       ARG  75  14.499   4.307   1.073
  622   1HD   ARG  75          HD2       ARG  75  12.130   4.922  -0.678
  623   2HD   ARG  75          HD1       ARG  75  12.957   6.139   0.293
  624    HE   ARG  75           HE       ARG  75  14.712   4.647  -1.423
  625   1HH1  ARG  75          HH12      ARG  75  12.567   7.380  -1.205
  626   2HH1  ARG  75          HH11      ARG  75  13.323   8.243  -2.504
  627   1HH2  ARG  75          HH21      ARG  75  15.717   5.774  -3.134
  628   2HH2  ARG  75          HH22      ARG  75  15.116   7.330  -3.600
  629    H    TRP  76           HN       TRP  76  10.351   3.295   1.823
  630    HA   TRP  76           HA       TRP  76   8.596   3.633  -0.491
  631   1HB   TRP  76          HB2       TRP  76   8.205   3.770   2.466
  632   2HB   TRP  76          HB1       TRP  76   7.073   4.608   1.413
  633    HD1  TRP  76           HD1      TRP  76   8.596   1.183   0.551
  634    HE1  TRP  76           HE1      TRP  76   6.687  -0.539   0.419
  635    HE3  TRP  76           HE3      TRP  76   4.739   4.120   2.172
  636    HZ2  TRP  76           HZ2      TRP  76   3.914  -0.640   0.934
  637    HZ3  TRP  76           HZ3      TRP  76   2.489   3.134   2.323
  638    HH2  TRP  76           HH2      TRP  76   2.087   0.803   1.717
  639    H    LYS  77           HN       LYS  77   7.758   5.639  -1.097
  640    HA   LYS  77           HA       LYS  77   8.792   8.062   0.101
  641   1HB   LYS  77          HB1       LYS  77   9.467   8.621  -2.485
  642   2HB   LYS  77          HB2       LYS  77  10.606   8.133  -1.239
  643   1HG   LYS  77          HG2       LYS  77  11.064   6.207  -2.261
  644   2HG   LYS  77          HG1       LYS  77   9.362   5.865  -2.582
  645   1HD   LYS  77          HD2       LYS  77   9.386   7.243  -4.538
  646   2HD   LYS  77          HD1       LYS  77  11.007   7.834  -4.164
  647   1HE   LYS  77          HE2       LYS  77  11.290   5.081  -4.206
  648   2HE   LYS  77          HE1       LYS  77  10.182   5.414  -5.536
  649   1HZ   LYS  77          HZ1       LYS  77  12.135   5.712  -6.611
  650   2HZ   LYS  77          HZ2       LYS  77  12.983   6.166  -5.219
  651   3HZ   LYS  77          HZ3       LYS  77  11.976   7.280  -5.998
  652    H    VAL  78           HN       VAL  78   7.044   9.270   0.240
  653    HA   VAL  78           HA       VAL  78   4.863   8.973  -1.636
  654    HB   VAL  78           HB       VAL  78   5.039  10.973   0.609
  655   1HG1  VAL  78          HG11      VAL  78   2.738   9.700  -0.860
  656   2HG1  VAL  78          HG12      VAL  78   3.228  11.393  -0.903
  657   3HG1  VAL  78          HG13      VAL  78   2.568  10.705   0.580
  658   1HG2  VAL  78          HG21      VAL  78   5.176   8.193   0.883
  659   2HG2  VAL  78          HG22      VAL  78   3.510   8.626   1.263
  660   3HG2  VAL  78          HG23      VAL  78   4.840   9.377   2.147
  661    H    LEU  79           HN       LEU  79   4.272  10.365  -3.202
  662    HA   LEU  79           HA       LEU  79   6.090  12.595  -3.772
  663   1HB   LEU  79          HB2       LEU  79   4.008  11.246  -5.498
  664   2HB   LEU  79          HB1       LEU  79   5.033  12.568  -6.017
  665    HG   LEU  79           HG       LEU  79   7.017  11.135  -5.720
  666   1HD1  LEU  79          HD21      LEU  79   6.520   8.644  -5.499
  667   2HD1  LEU  79          HD22      LEU  79   4.949   9.135  -4.867
  668   3HD1  LEU  79          HD23      LEU  79   6.426   9.619  -4.035
  669   1HD2  LEU  79          HD11      LEU  79   6.152   9.357  -7.501
  670   2HD2  LEU  79          HD12      LEU  79   6.430  11.050  -7.912
  671   3HD2  LEU  79          HD13      LEU  79   4.795  10.483  -7.566
  672    H    GLU  80           HN       GLU  80   2.766  11.803  -3.111
  673    HA   GLU  80           HA       GLU  80   2.168  14.653  -2.762
  674   1HB   GLU  80          HB2       GLU  80   0.206  12.767  -4.052
  675   2HB   GLU  80          HB1       GLU  80   0.131  14.523  -3.970
  676   1HG   GLU  80          HG2       GLU  80   2.429  14.232  -5.318
  677   2HG   GLU  80          HG1       GLU  80   1.594  12.765  -5.830
  678    HA   PRO  81           HA       PRO  81   0.308  13.779   1.159
  679   1HB   PRO  81          HB2       PRO  81  -2.214  14.755  -0.143
  680   2HB   PRO  81          HB1       PRO  81  -1.559  15.136   1.455
  681   1HG   PRO  81          HG2       PRO  81  -1.257  16.851  -0.549
  682   2HG   PRO  81          HG1       PRO  81   0.067  16.565   0.589
  683   1HD   PRO  81          HD1       PRO  81  -0.235  15.673  -2.230
  684   2HD   PRO  81          HD2       PRO  81   1.240  16.034  -1.310
  685    H    VAL  82           HN       VAL  82   0.165  11.639   1.489
  686    HA   VAL  82           HA       VAL  82  -1.735  10.099  -0.100
  687    HB   VAL  82           HB       VAL  82   0.950   9.652   0.771
  688   1HG1  VAL  82          HG21      VAL  82  -0.057   8.405   2.669
  689   2HG1  VAL  82          HG22      VAL  82   0.919   7.405   1.593
  690   3HG1  VAL  82          HG23      VAL  82  -0.841   7.342   1.501
  691   1HG2  VAL  82          HG11      VAL  82   0.277   9.309  -1.470
  692   2HG2  VAL  82          HG12      VAL  82  -0.964   8.150  -0.993
  693   3HG2  VAL  82          HG13      VAL  82   0.742   7.733  -0.827
  694    H    ARG  83           HN       ARG  83  -3.276   8.822   0.716
  695    HA   ARG  83           HA       ARG  83  -3.617   8.625   3.620
  696   1HB   ARG  83          HB2       ARG  83  -5.317  10.108   1.857
  697   2HB   ARG  83          HB1       ARG  83  -6.203   8.702   2.428
  698   1HG   ARG  83          HG1       ARG  83  -6.640  10.532   3.899
  699   2HG   ARG  83          HG2       ARG  83  -5.640   9.355   4.752
  700   1HD   ARG  83          HD1       ARG  83  -4.419  11.161   5.295
  701   2HD   ARG  83          HD2       ARG  83  -3.728  10.937   3.693
  702    HE   ARG  83           HE       ARG  83  -5.590  13.006   4.534
  703   1HH1  ARG  83          HH21      ARG  83  -3.922  11.456   1.878
  704   2HH1  ARG  83          HH22      ARG  83  -4.151  12.790   0.802
  705   1HH2  ARG  83          HH11      ARG  83  -5.885  14.751   3.113
  706   2HH2  ARG  83          HH12      ARG  83  -5.263  14.657   1.500
  707    H    LYS  84           HN       LYS  84  -3.391   6.494   3.976
  708    HA   LYS  84           HA       LYS  84  -4.495   4.657   1.958
  709   1HB   LYS  84          HB2       LYS  84  -2.146   4.509   1.862
  710   2HB   LYS  84          HB1       LYS  84  -1.983   4.570   3.608
  711   1HG   LYS  84          HG2       LYS  84  -3.102   2.308   3.672
  712   2HG   LYS  84          HG1       LYS  84  -2.903   2.266   1.919
  713   1HD   LYS  84          HD2       LYS  84  -0.658   2.650   3.896
  714   2HD   LYS  84          HD1       LYS  84  -1.077   1.113   3.140
  715   1HE   LYS  84          HE2       LYS  84  -0.247   3.614   1.673
  716   2HE   LYS  84          HE1       LYS  84   0.796   2.231   2.006
  717   1HZ   LYS  84          HZ1       LYS  84  -1.580   2.329   0.242
  718   2HZ   LYS  84          HZ2       LYS  84  -0.882   0.873   0.748
  719   3HZ   LYS  84          HZ3       LYS  84   0.018   1.965  -0.180
  720    H    HIS  85           HN       HIS  85  -5.410   2.732   2.577
  721    HA   HIS  85           HA       HIS  85  -6.391   2.628   5.339
  722   1HB   HIS  85          HB1       HIS  85  -7.418   1.358   2.796
  723   2HB   HIS  85          HB2       HIS  85  -8.047   0.968   4.395
  724    HD1  HIS  85           HD1      HIS  85 -10.151   2.188   4.830
  725    HD2  HIS  85           HD2      HIS  85  -7.500   4.431   2.553
  726    HE1  HIS  85           HE1      HIS  85 -11.316   4.378   4.407
  727    HE2  HIS  85           HE2      HIS  85  -9.693   5.722   3.024
  728    H    TYR  86           HN       TYR  86  -6.553   0.408   6.286
  729    HA   TYR  86           HA       TYR  86  -4.175  -1.146   5.493
  730   1HB   TYR  86          HB2       TYR  86  -5.232  -0.378   8.189
  731   2HB   TYR  86          HB1       TYR  86  -4.049  -1.665   7.988
  732    HD1  TYR  86           HD1      TYR  86  -4.375   1.629   8.848
  733    HD2  TYR  86           HD2      TYR  86  -2.063  -0.843   6.278
  734    HE1  TYR  86           HE1      TYR  86  -2.597   3.316   8.846
  735    HE2  TYR  86           HE2      TYR  86  -0.273   0.831   6.261
  736    HH   TYR  86           HH       TYR  86   0.060   3.179   6.668
  737    H    ASN  87           HN       ASN  87  -4.119  -3.325   5.772
  738    HA   ASN  87           HA       ASN  87  -6.425  -4.781   6.746
  739   1HB   ASN  87          HB2       ASN  87  -6.475  -4.238   4.107
  740   2HB   ASN  87          HB1       ASN  87  -5.485  -5.693   4.081
  741   1HD2  ASN  87          HD21      ASN  87  -8.327  -4.626   5.925
  742   2HD2  ASN  87          HD22      ASN  87  -9.276  -6.032   5.598
  743    H    LEU  88           HN       LEU  88  -4.644  -5.146   8.298
  744    HA   LEU  88           HA       LEU  88  -2.601  -7.007   7.320
  745   1HB   LEU  88          HB1       LEU  88  -2.417  -6.027  10.096
  746   2HB   LEU  88          HB2       LEU  88  -1.162  -6.237   8.894
  747    HG   LEU  88           HG       LEU  88  -1.189  -3.937   9.278
  748   1HD1  LEU  88          HD21      LEU  88  -2.837  -3.202   7.186
  749   2HD1  LEU  88          HD22      LEU  88  -2.315  -4.836   6.781
  750   3HD1  LEU  88          HD23      LEU  88  -1.120  -3.584   7.102
  751   1HD2  LEU  88          HD11      LEU  88  -4.031  -3.394   8.853
  752   2HD2  LEU  88          HD12      LEU  88  -2.908  -2.736  10.042
  753   3HD2  LEU  88          HD13      LEU  88  -3.661  -4.306  10.315
  754    H    PHE  89           HN       PHE  89  -2.210  -8.968   8.318
  755    HA   PHE  89           HA       PHE  89  -3.879  -9.867  10.496
  756   1HB   PHE  89          HB1       PHE  89  -4.692 -11.858   9.113
  757   2HB   PHE  89          HB2       PHE  89  -5.469 -10.309   8.800
  758    HD1  PHE  89           HD1      PHE  89  -4.651  -8.949   6.812
  759    HD2  PHE  89           HD2      PHE  89  -3.681 -13.051   7.389
  760    HE1  PHE  89           HE1      PHE  89  -4.091  -9.148   4.424
  761    HE2  PHE  89           HE2      PHE  89  -3.119 -13.258   5.001
  762    HZ   PHE  89           HZ       PHE  89  -3.325 -11.305   3.516
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1   7.407 -13.356  -3.786
    2   2H    MET   1          HT2       MET   1   6.942 -12.626  -2.303
    3   3H    MET   1          HT3       MET   1   8.601 -12.703  -2.740
    4    HA   MET   1           HA       MET   1   7.430 -10.528  -3.019
    5   1HB   MET   1          HB2       MET   1   9.451 -11.890  -4.434
    6   2HB   MET   1          HB1       MET   1   8.505 -11.046  -5.650
    7   1HG   MET   1          HG2       MET   1   9.036  -8.969  -4.823
    8   2HG   MET   1          HG1       MET   1   9.387  -9.585  -3.209
    9   1HE   MET   1          HE1       MET   1  11.846 -12.133  -4.558
   10   2HE   MET   1          HE2       MET   1  10.994 -11.605  -3.107
   11   3HE   MET   1          HE3       MET   1  12.689 -11.176  -3.339
   12    H    GLU   2           HN       GLU   2   5.093 -11.634  -3.084
   13    HA   GLU   2           HA       GLU   2   4.052 -11.621  -5.819
   14   1HB   GLU   2          HB2       GLU   2   2.856 -12.478  -3.183
   15   2HB   GLU   2          HB1       GLU   2   1.924 -12.390  -4.671
   16   1HG   GLU   2          HG1       GLU   2   3.712 -13.940  -5.653
   17   2HG   GLU   2          HG2       GLU   2   4.181 -14.228  -3.977
   18    H    VAL   3           HN       VAL   3   4.706  -9.181  -5.518
   19    HA   VAL   3           HA       VAL   3   2.623  -7.630  -4.194
   20    HB   VAL   3           HB       VAL   3   4.832  -6.437  -5.835
   21   1HG1  VAL   3          HG21      VAL   3   4.636  -4.645  -4.134
   22   2HG1  VAL   3          HG22      VAL   3   3.290  -5.530  -3.415
   23   3HG1  VAL   3          HG23      VAL   3   3.160  -4.909  -5.060
   24   1HG2  VAL   3          HG11      VAL   3   5.868  -6.365  -3.338
   25   2HG2  VAL   3          HG12      VAL   3   6.300  -7.567  -4.554
   26   3HG2  VAL   3          HG13      VAL   3   5.092  -7.948  -3.327
   27    H    LYS   4           HN       LYS   4   0.874  -6.901  -5.222
   28    HA   LYS   4           HA       LYS   4   0.995  -6.570  -8.140
   29   1HB   LYS   4          HB1       LYS   4  -0.962  -7.752  -8.503
   30   2HB   LYS   4          HB2       LYS   4  -0.218  -8.687  -7.222
   31   1HG   LYS   4          HG2       LYS   4  -2.249  -6.567  -6.605
   32   2HG   LYS   4          HG1       LYS   4  -2.725  -8.190  -7.082
   33   1HD   LYS   4          HD1       LYS   4  -1.468  -9.130  -5.222
   34   2HD   LYS   4          HD2       LYS   4  -0.941  -7.513  -4.752
   35   1HE   LYS   4          HE1       LYS   4  -2.749  -7.390  -3.462
   36   2HE   LYS   4          HE2       LYS   4  -3.713  -7.334  -4.937
   37   1HZ   LYS   4          HZ1       LYS   4  -2.891  -9.868  -3.636
   38   2HZ   LYS   4          HZ2       LYS   4  -4.037  -9.663  -4.863
   39   3HZ   LYS   4          HZ3       LYS   4  -4.357  -9.092  -3.304
   40    H    ILE   5           HN       ILE   5  -0.496  -5.019  -9.029
   41    HA   ILE   5           HA       ILE   5  -1.584  -3.138  -7.039
   42    HB   ILE   5           HB       ILE   5  -0.525  -2.208  -9.690
   43   1HG1  ILE   5          HG12      ILE   5   1.405  -1.383  -8.013
   44   2HG1  ILE   5          HG11      ILE   5   0.969  -2.887  -7.207
   45   1HG2  ILE   5          HG21      ILE   5  -0.283  -0.090  -8.248
   46   2HG2  ILE   5          HG22      ILE   5  -1.344  -0.921  -7.112
   47   3HG2  ILE   5          HG23      ILE   5  -1.898  -0.584  -8.752
   48   1HD1  ILE   5          HD11      ILE   5   2.420  -2.440  -9.698
   49   2HD1  ILE   5          HD12      ILE   5   1.185  -3.696  -9.792
   50   3HD1  ILE   5          HD13      ILE   5   2.462  -3.805  -8.580
   51    H    GLU   6           HN       GLU   6  -3.755  -3.027  -7.206
   52    HA   GLU   6           HA       GLU   6  -4.937  -2.897  -9.864
   53   1HB   GLU   6          HB1       GLU   6  -5.549  -5.094  -7.890
   54   2HB   GLU   6          HB2       GLU   6  -6.637  -4.667  -9.204
   55   1HG   GLU   6          HG1       GLU   6  -3.786  -5.575  -9.533
   56   2HG   GLU   6          HG2       GLU   6  -5.214  -6.587  -9.743
   57    H    LYS   7           HN       LYS   7  -6.856  -1.812  -9.949
   58    HA   LYS   7           HA       LYS   7  -7.648  -0.448  -7.494
   59   1HB   LYS   7          HB1       LYS   7  -8.598   0.047 -10.318
   60   2HB   LYS   7          HB2       LYS   7  -8.852   1.088  -8.924
   61   1HG   LYS   7          HG1       LYS   7  -6.922   2.120  -9.262
   62   2HG   LYS   7          HG2       LYS   7  -6.046   0.588  -9.305
   63   1HD   LYS   7          HD1       LYS   7  -7.572   1.734 -11.638
   64   2HD   LYS   7          HD2       LYS   7  -5.838   1.938 -11.389
   65   1HE   LYS   7          HE2       LYS   7  -5.771  -0.630 -11.255
   66   2HE   LYS   7          HE1       LYS   7  -7.373  -0.564 -11.991
   67   1HZ   LYS   7          HZ1       LYS   7  -5.370  -0.784 -13.525
   68   2HZ   LYS   7          HZ2       LYS   7  -5.073   0.848 -13.192
   69   3HZ   LYS   7          HZ3       LYS   7  -6.526   0.385 -13.923
   70    HA   PRO   8           HA       PRO   8 -10.762  -3.778  -7.325
   71   1HB   PRO   8          HB2       PRO   8 -11.752  -2.797  -4.893
   72   2HB   PRO   8          HB1       PRO   8 -10.564  -4.085  -5.097
   73   1HG   PRO   8          HG2       PRO   8 -10.151  -1.208  -4.469
   74   2HG   PRO   8          HG1       PRO   8  -9.228  -2.621  -3.930
   75   1HD   PRO   8          HD2       PRO   8  -8.288  -0.966  -5.806
   76   2HD   PRO   8          HD1       PRO   8  -7.992  -2.715  -5.887
   77    H    THR   9           HN       THR   9 -12.624  -3.669  -8.344
   78    HA   THR   9           HA       THR   9 -13.944  -1.206  -8.905
   79    HB   THR   9           HB       THR   9 -15.514  -3.652  -9.305
   80    HG1  THR   9           HG1      THR   9 -13.687  -4.748  -9.624
   81   1HG2  THR   9          HG21      THR   9 -14.584  -1.383 -10.983
   82   2HG2  THR   9          HG22      THR   9 -16.219  -1.969 -10.676
   83   3HG2  THR   9          HG23      THR   9 -15.147  -2.867 -11.751
   84    HA   PRO  10           HA       PRO  10 -16.691  -0.449  -5.541
   85   1HB   PRO  10          HB2       PRO  10 -19.074  -0.617  -7.140
   86   2HB   PRO  10          HB1       PRO  10 -18.269   0.827  -6.526
   87   1HG   PRO  10          HG2       PRO  10 -18.108  -0.422  -9.191
   88   2HG   PRO  10          HG1       PRO  10 -17.782   1.252  -8.711
   89   1HD   PRO  10          HD2       PRO  10 -15.810  -0.441  -9.408
   90   2HD   PRO  10          HD1       PRO  10 -15.583   0.793  -8.153
   91    H    GLU  11           HN       GLU  11 -17.356  -3.086  -7.781
   92    HA   GLU  11           HA       GLU  11 -19.206  -4.441  -6.091
   93   1HB   GLU  11          HB1       GLU  11 -19.090  -6.242  -7.645
   94   2HB   GLU  11          HB2       GLU  11 -18.998  -4.759  -8.583
   95   1HG   GLU  11          HG2       GLU  11 -16.435  -5.108  -8.408
   96   2HG   GLU  11          HG1       GLU  11 -16.870  -6.771  -8.016
   97    H    LYS  12           HN       LYS  12 -15.726  -4.701  -6.647
   98    HA   LYS  12           HA       LYS  12 -15.391  -6.916  -4.854
   99   1HB   LYS  12          HB2       LYS  12 -13.827  -5.650  -6.807
  100   2HB   LYS  12          HB1       LYS  12 -12.980  -5.379  -5.290
  101   1HG   LYS  12          HG1       LYS  12 -12.569  -7.611  -4.959
  102   2HG   LYS  12          HG2       LYS  12 -13.946  -8.120  -5.940
  103   1HD   LYS  12          HD1       LYS  12 -12.016  -8.647  -7.200
  104   2HD   LYS  12          HD2       LYS  12 -12.698  -7.196  -7.937
  105   1HE   LYS  12          HE1       LYS  12 -10.946  -5.904  -7.340
  106   2HE   LYS  12          HE2       LYS  12 -10.723  -6.736  -5.801
  107   1HZ   LYS  12          HZ1       LYS  12  -8.966  -7.679  -6.749
  108   2HZ   LYS  12          HZ2       LYS  12  -9.403  -7.162  -8.300
  109   3HZ   LYS  12          HZ3       LYS  12 -10.043  -8.598  -7.675
  110    H    LEU  13           HN       LEU  13 -15.323  -3.446  -4.650
  111    HA   LEU  13           HA       LEU  13 -13.954  -3.168  -2.207
  112   1HB   LEU  13          HB1       LEU  13 -16.066  -1.415  -3.464
  113   2HB   LEU  13          HB2       LEU  13 -15.085  -0.954  -2.086
  114    HG   LEU  13           HG       LEU  13 -14.009  -1.600  -4.835
  115   1HD1  LEU  13          HD11      LEU  13 -14.138   0.569  -5.395
  116   2HD1  LEU  13          HD12      LEU  13 -13.759   1.119  -3.763
  117   3HD1  LEU  13          HD13      LEU  13 -15.404   0.630  -4.169
  118   1HD2  LEU  13          HD21      LEU  13 -12.679  -0.545  -2.345
  119   2HD2  LEU  13          HD22      LEU  13 -11.927  -0.613  -3.938
  120   3HD2  LEU  13          HD23      LEU  13 -12.395  -2.104  -3.121
  121    H    LYS  14           HN       LYS  14 -17.258  -3.982  -2.980
  122    HA   LYS  14           HA       LYS  14 -18.542  -3.411  -0.591
  123   1HB   LYS  14          HB1       LYS  14 -19.424  -4.422  -2.845
  124   2HB   LYS  14          HB2       LYS  14 -19.139  -5.962  -2.047
  125   1HG   LYS  14          HG1       LYS  14 -20.535  -4.902  -0.119
  126   2HG   LYS  14          HG2       LYS  14 -21.111  -3.826  -1.394
  127   1HD   LYS  14          HD1       LYS  14 -21.149  -6.820  -1.667
  128   2HD   LYS  14          HD2       LYS  14 -22.489  -5.916  -0.957
  129   1HE   LYS  14          HE2       LYS  14 -21.833  -4.600  -3.349
  130   2HE   LYS  14          HE1       LYS  14 -21.828  -6.322  -3.722
  131   1HZ   LYS  14          HZ1       LYS  14 -24.045  -4.641  -2.768
  132   2HZ   LYS  14          HZ2       LYS  14 -24.056  -6.301  -2.441
  133   3HZ   LYS  14          HZ3       LYS  14 -24.017  -5.755  -4.042
  134    H    GLU  15           HN       GLU  15 -16.814  -6.381  -1.513
  135    HA   GLU  15           HA       GLU  15 -17.112  -7.528   1.117
  136   1HB   GLU  15          HB1       GLU  15 -15.151  -8.514  -0.929
  137   2HB   GLU  15          HB2       GLU  15 -16.062  -9.433   0.263
  138   1HG   GLU  15          HG2       GLU  15 -17.969  -8.229  -1.392
  139   2HG   GLU  15          HG1       GLU  15 -16.709  -8.838  -2.464
  140    H    LEU  16           HN       LEU  16 -14.793  -5.614  -0.593
  141    HA   LEU  16           HA       LEU  16 -12.734  -6.014   1.429
  142   1HB   LEU  16          HB2       LEU  16 -12.699  -4.271  -1.036
  143   2HB   LEU  16          HB1       LEU  16 -11.327  -4.636  -0.008
  144    HG   LEU  16           HG       LEU  16 -12.837  -6.649  -1.677
  145   1HD1  LEU  16          HD21      LEU  16 -11.459  -6.219  -3.368
  146   2HD1  LEU  16          HD22      LEU  16 -10.047  -6.224  -2.311
  147   3HD1  LEU  16          HD23      LEU  16 -10.998  -4.751  -2.507
  148   1HD2  LEU  16          HD11      LEU  16 -11.692  -8.278  -0.675
  149   2HD2  LEU  16          HD12      LEU  16 -11.358  -7.103   0.595
  150   3HD2  LEU  16          HD13      LEU  16 -10.190  -7.355  -0.702
  151    H    SER  17           HN       SER  17 -15.417  -4.453   1.676
  152    HA   SER  17           HA       SER  17 -15.454  -1.842   1.850
  153   1HB   SER  17          HB1       SER  17 -16.144  -3.662   4.168
  154   2HB   SER  17          HB2       SER  17 -16.667  -1.985   4.022
  155    HG   SER  17           HG       SER  17 -17.828  -4.122   3.019
  156    H    VAL  18           HN       VAL  18 -13.427  -0.890   1.909
  157    HA   VAL  18           HA       VAL  18 -11.675  -1.168   4.147
  158    HB   VAL  18           HB       VAL  18 -10.313   0.516   3.121
  159   1HG1  VAL  18          HG21      VAL  18 -11.568  -1.358   1.128
  160   2HG1  VAL  18          HG22      VAL  18 -10.110  -1.614   2.084
  161   3HG1  VAL  18          HG23      VAL  18 -10.118  -0.408   0.798
  162   1HG2  VAL  18          HG11      VAL  18 -12.812   1.478   2.104
  163   2HG2  VAL  18          HG12      VAL  18 -11.686   1.226   0.769
  164   3HG2  VAL  18          HG13      VAL  18 -11.236   2.271   2.117
  165    H    GLU  19           HN       GLU  19 -14.479   0.671   3.541
  166    HA   GLU  19           HA       GLU  19 -14.055   3.026   4.932
  167   1HB   GLU  19          HB2       GLU  19 -16.563   2.849   5.431
  168   2HB   GLU  19          HB1       GLU  19 -16.076   2.832   3.741
  169   1HG   GLU  19          HG1       GLU  19 -17.130   0.917   3.449
  170   2HG   GLU  19          HG2       GLU  19 -16.095   0.153   4.656
  171    H    LYS  20           HN       LYS  20 -14.368  -0.202   6.122
  172    HA   LYS  20           HA       LYS  20 -14.725   0.756   8.870
  173   1HB   LYS  20          HB1       LYS  20 -14.842  -1.869   9.221
  174   2HB   LYS  20          HB2       LYS  20 -16.235  -0.949   8.674
  175   1HG   LYS  20          HG1       LYS  20 -15.770  -1.578   6.373
  176   2HG   LYS  20          HG2       LYS  20 -14.336  -2.465   6.896
  177   1HD   LYS  20          HD2       LYS  20 -16.492  -3.387   8.466
  178   2HD   LYS  20          HD1       LYS  20 -17.056  -3.340   6.794
  179   1HE   LYS  20          HE1       LYS  20 -15.595  -4.944   6.110
  180   2HE   LYS  20          HE2       LYS  20 -14.365  -4.476   7.283
  181   1HZ   LYS  20          HZ1       LYS  20 -15.064  -6.458   8.140
  182   2HZ   LYS  20          HZ2       LYS  20 -16.662  -6.269   7.617
  183   3HZ   LYS  20          HZ3       LYS  20 -16.104  -5.409   8.962
  184    H    TRP  21           HN       TRP  21 -12.212   0.036   6.824
  185    HA   TRP  21           HA       TRP  21 -10.544  -1.304   8.782
  186   1HB   TRP  21          HB2       TRP  21  -9.749  -0.190   6.085
  187   2HB   TRP  21          HB1       TRP  21  -8.860  -1.356   7.055
  188    HD1  TRP  21           HD1      TRP  21 -12.346  -2.415   7.228
  189    HE1  TRP  21           HE1      TRP  21 -12.850  -4.257   5.507
  190    HE3  TRP  21           HE3      TRP  21  -8.171  -1.967   4.309
  191    HZ2  TRP  21           HZ2      TRP  21 -11.635  -5.382   3.218
  192    HZ3  TRP  21           HZ3      TRP  21  -7.915  -3.464   2.375
  193    HH2  TRP  21           HH2      TRP  21  -9.616  -5.136   1.840
  194    HA   PRO  22           HA       PRO  22  -8.429   2.046  10.704
  195   1HB   PRO  22          HB2       PRO  22  -5.926   1.134   9.359
  196   2HB   PRO  22          HB1       PRO  22  -6.219   1.495  11.063
  197   1HG   PRO  22          HG2       PRO  22  -6.068  -1.025  10.193
  198   2HG   PRO  22          HG1       PRO  22  -7.209  -0.555  11.464
  199   1HD   PRO  22          HD2       PRO  22  -7.713  -1.210   8.608
  200   2HD   PRO  22          HD1       PRO  22  -8.761  -1.439  10.021
  201    H    ILE  23           HN       ILE  23  -6.901   3.911  10.209
  202    HA   ILE  23           HA       ILE  23  -7.064   4.711   7.382
  203    HB   ILE  23           HB       ILE  23  -7.507   6.659   9.633
  204   1HG1  ILE  23          HG12      ILE  23  -9.288   4.935   9.667
  205   2HG1  ILE  23          HG11      ILE  23  -9.900   6.519   9.204
  206   1HG2  ILE  23          HG21      ILE  23  -7.534   6.749   6.674
  207   2HG2  ILE  23          HG22      ILE  23  -7.010   7.961   7.843
  208   3HG2  ILE  23          HG23      ILE  23  -8.729   7.731   7.523
  209   1HD1  ILE  23          HD11      ILE  23 -10.482   4.246   7.906
  210   2HD1  ILE  23          HD12      ILE  23  -9.076   4.780   6.983
  211   3HD1  ILE  23          HD13      ILE  23 -10.479   5.837   7.146
  212    H    TRP  24           HN       TRP  24  -5.221   5.544   6.577
  213    HA   TRP  24           HA       TRP  24  -3.120   6.313   8.491
  214   1HB   TRP  24          HB1       TRP  24  -2.991   4.023   7.103
  215   2HB   TRP  24          HB2       TRP  24  -2.303   5.109   5.898
  216    HD1  TRP  24           HD1      TRP  24  -1.725   4.949   9.740
  217    HE1  TRP  24           HE1      TRP  24   0.812   4.817  10.146
  218    HE3  TRP  24           HE3      TRP  24  -0.128   4.822   4.884
  219    HZ2  TRP  24           HZ2      TRP  24   3.176   4.680   8.615
  220    HZ3  TRP  24           HZ3      TRP  24   2.289   4.690   4.442
  221    HH2  TRP  24           HH2      TRP  24   3.905   4.621   6.270
  222    H    GLU  25           HN       GLU  25  -2.073   8.160   8.107
  223    HA   GLU  25           HA       GLU  25  -2.452   9.472   5.497
  224   1HB   GLU  25          HB1       GLU  25  -2.242  11.636   6.962
  225   2HB   GLU  25          HB2       GLU  25  -3.792  10.818   6.817
  226   1HG   GLU  25          HG2       GLU  25  -3.599  11.295   9.083
  227   2HG   GLU  25          HG1       GLU  25  -3.151   9.594   8.958
  228    H    LYS  26           HN       LYS  26  -0.615  10.164   4.532
  229    HA   LYS  26           HA       LYS  26   1.797  10.455   6.175
  230   1HB   LYS  26          HB2       LYS  26   1.821   8.182   5.262
  231   2HB   LYS  26          HB1       LYS  26   1.626   8.823   3.636
  232   1HG   LYS  26          HG1       LYS  26   3.893   8.369   3.768
  233   2HG   LYS  26          HG2       LYS  26   3.809  10.100   4.105
  234   1HD   LYS  26          HD2       LYS  26   3.819   9.545   6.542
  235   2HD   LYS  26          HD1       LYS  26   4.116   7.861   6.101
  236   1HE   LYS  26          HE2       LYS  26   6.283   8.241   5.758
  237   2HE   LYS  26          HE1       LYS  26   5.947   9.657   4.761
  238   1HZ   LYS  26          HZ1       LYS  26   6.052  11.060   6.558
  239   2HZ   LYS  26          HZ2       LYS  26   7.226   9.918   6.980
  240   3HZ   LYS  26          HZ3       LYS  26   5.690   9.850   7.684
  241    H    GLU  27           HN       GLU  27   3.292  11.902   5.474
  242    HA   GLU  27           HA       GLU  27   2.419  13.800   3.446
  243   1HB   GLU  27          HB1       GLU  27   4.463  15.079   4.256
  244   2HB   GLU  27          HB2       GLU  27   3.185  14.841   5.439
  245   1HG   GLU  27          HG1       GLU  27   4.410  13.102   6.520
  246   2HG   GLU  27          HG2       GLU  27   5.626  13.096   5.243
  247    H    VAL  28           HN       VAL  28   3.886  14.590   1.834
  248    HA   VAL  28           HA       VAL  28   4.887  12.521   0.247
  249    HB   VAL  28           HB       VAL  28   5.518  14.195  -1.300
  250   1HG1  VAL  28          HG21      VAL  28   3.091  13.903  -0.743
  251   2HG1  VAL  28          HG22      VAL  28   3.515  15.412  -1.547
  252   3HG1  VAL  28          HG23      VAL  28   3.210  15.391   0.190
  253   1HG2  VAL  28          HG11      VAL  28   6.610  16.028  -0.673
  254   2HG2  VAL  28          HG12      VAL  28   6.218  15.708   1.016
  255   3HG2  VAL  28          HG13      VAL  28   5.113  16.655   0.017
  256    H    SER  29           HN       SER  29   6.362  12.035   2.536
  257    HA   SER  29           HA       SER  29   9.036  13.114   2.075
  258   1HB   SER  29          HB1       SER  29   8.300  11.184   4.268
  259   2HB   SER  29          HB2       SER  29   9.615  12.359   4.228
  260    HG   SER  29           HG       SER  29   7.991  14.006   4.310
  261    H    GLU  30           HN       GLU  30  10.470  10.905   3.075
  262    HA   GLU  30           HA       GLU  30   9.816   8.640   1.369
  263   1HB   GLU  30          HB2       GLU  30  12.649   9.598   1.274
  264   2HB   GLU  30          HB1       GLU  30  11.770   8.603   0.123
  265   1HG   GLU  30          HG1       GLU  30  11.877  10.518  -1.074
  266   2HG   GLU  30          HG2       GLU  30  10.386  10.837  -0.191
  267    H    PHE  31           HN       PHE  31  10.076   6.827   2.530
  268    HA   PHE  31           HA       PHE  31  11.991   6.890   4.767
  269   1HB   PHE  31          HB2       PHE  31  10.297   5.268   5.875
  270   2HB   PHE  31          HB1       PHE  31   9.951   6.994   5.881
  271    HD1  PHE  31           HD1      PHE  31   8.645   3.815   5.221
  272    HD2  PHE  31           HD2      PHE  31   8.521   7.840   3.845
  273    HE1  PHE  31           HE1      PHE  31   6.470   3.380   4.157
  274    HE2  PHE  31           HE2      PHE  31   6.345   7.414   2.780
  275    HZ   PHE  31           HZ       PHE  31   5.315   5.181   2.936
  276    H    ASP  32           HN       ASP  32  13.013   4.974   5.340
  277    HA   ASP  32           HA       ASP  32  12.941   2.860   3.289
  278   1HB   ASP  32          HB1       ASP  32  15.125   4.278   4.033
  279   2HB   ASP  32          HB2       ASP  32  15.210   2.959   5.198
  280    H    TRP  33           HN       TRP  33  11.349   1.558   4.136
  281    HA   TRP  33           HA       TRP  33  11.734   0.631   6.899
  282   1HB   TRP  33          HB2       TRP  33   9.663   1.755   6.789
  283   2HB   TRP  33          HB1       TRP  33   9.261   1.042   5.232
  284    HD1  TRP  33           HD1      TRP  33   9.656  -0.107   8.922
  285    HE1  TRP  33           HE1      TRP  33   7.982  -2.022   9.324
  286    HE3  TRP  33           HE3      TRP  33   7.783  -0.551   4.192
  287    HZ2  TRP  33           HZ2      TRP  33   6.112  -3.522   7.828
  288    HZ3  TRP  33           HZ3      TRP  33   6.056  -2.245   3.758
  289    HH2  TRP  33           HH2      TRP  33   5.240  -3.701   5.539
  290    H    TYR  34           HN       TYR  34  11.089  -1.543   7.409
  291    HA   TYR  34           HA       TYR  34  11.512  -3.426   5.184
  292   1HB   TYR  34          HB2       TYR  34  13.463  -3.586   6.492
  293   2HB   TYR  34          HB1       TYR  34  12.576  -3.413   8.000
  294    HD1  TYR  34           HD1      TYR  34  12.952  -5.770   5.129
  295    HD2  TYR  34           HD2      TYR  34  12.143  -5.290   9.278
  296    HE1  TYR  34           HE1      TYR  34  12.948  -8.213   5.406
  297    HE2  TYR  34           HE2      TYR  34  12.134  -7.731   9.564
  298    HH   TYR  34           HH       TYR  34  13.369  -9.767   8.046
  299    H    TYR  35           HN       TYR  35  10.173  -5.194   5.061
  300    HA   TYR  35           HA       TYR  35   7.701  -5.015   6.537
  301   1HB   TYR  35          HB2       TYR  35   8.532  -6.073   4.028
  302   2HB   TYR  35          HB1       TYR  35   7.796  -7.374   4.941
  303    HD1  TYR  35           HD1      TYR  35   7.213  -4.482   2.960
  304    HD2  TYR  35           HD2      TYR  35   5.473  -6.987   5.920
  305    HE1  TYR  35           HE1      TYR  35   4.995  -3.633   2.361
  306    HE2  TYR  35           HE2      TYR  35   3.241  -6.144   5.329
  307    HH   TYR  35           HH       TYR  35   2.137  -5.105   3.329
  308    H    ASP  36           HN       ASP  36   6.789  -6.614   7.847
  309    HA   ASP  36           HA       ASP  36   8.380  -8.928   8.579
  310   1HB   ASP  36          HB1       ASP  36   8.893  -6.716  10.008
  311   2HB   ASP  36          HB2       ASP  36   7.495  -7.304  10.904
  312    H    THR  37           HN       THR  37   5.597  -8.081   7.529
  313    HA   THR  37           HA       THR  37   4.163 -10.214   8.739
  314    HB   THR  37           HB       THR  37   3.099  -7.440   9.313
  315    HG1  THR  37           HG1      THR  37   4.039  -7.536  11.181
  316   1HG2  THR  37          HG21      THR  37   1.380  -9.184   9.052
  317   2HG2  THR  37          HG22      THR  37   1.450  -8.497  10.674
  318   3HG2  THR  37          HG23      THR  37   2.145 -10.087  10.359
  319    H    ASN  38           HN       ASN  38   2.603 -10.931   7.369
  320    HA   ASN  38           HA       ASN  38   2.367  -9.865   4.777
  321   1HB   ASN  38          HB2       ASN  38   0.775 -11.873   6.350
  322   2HB   ASN  38          HB1       ASN  38   0.221 -11.348   4.762
  323   1HD2  ASN  38          HD21      ASN  38   1.019 -12.329   3.034
  324   2HD2  ASN  38          HD22      ASN  38   2.379 -13.395   3.024
  325    H    GLU  39           HN       GLU  39   1.537  -7.923   4.335
  326    HA   GLU  39           HA       GLU  39  -0.895  -7.105   5.786
  327   1HB   GLU  39          HB1       GLU  39   0.882  -5.728   6.557
  328   2HB   GLU  39          HB2       GLU  39   1.500  -5.490   4.931
  329   1HG   GLU  39          HG2       GLU  39  -0.057  -3.908   4.410
  330   2HG   GLU  39          HG1       GLU  39  -1.240  -4.538   5.554
  331    H    THR  40           HN       THR  40  -2.416  -5.838   4.710
  332    HA   THR  40           HA       THR  40  -2.162  -5.546   1.813
  333    HB   THR  40           HB       THR  40  -4.557  -6.815   3.160
  334    HG1  THR  40           HG1      THR  40  -3.322  -8.507   2.932
  335   1HG2  THR  40          HG21      THR  40  -4.157  -5.729   0.465
  336   2HG2  THR  40          HG22      THR  40  -5.640  -5.991   1.383
  337   3HG2  THR  40          HG23      THR  40  -4.871  -7.340   0.545
  338    H    CYS  41           HN       CYS  41  -2.472  -3.447   1.431
  339    HA   CYS  41           HA       CYS  41  -4.454  -2.006   3.075
  340   1HB   CYS  41          HB2       CYS  41  -2.871   0.014   2.420
  341   2HB   CYS  41          HB1       CYS  41  -2.556  -0.987   3.832
  342    HG   CYS  41           HG       CYS  41  -0.923  -1.079   1.196
  343    H    TYR  42           HN       TYR  42  -5.380  -0.094   2.044
  344    HA   TYR  42           HA       TYR  42  -5.534  -0.349  -0.883
  345   1HB   TYR  42          HB1       TYR  42  -7.627  -1.119  -0.257
  346   2HB   TYR  42          HB2       TYR  42  -7.678  -0.123   1.190
  347    HD1  TYR  42           HD1      TYR  42  -8.092   2.383   0.897
  348    HD2  TYR  42           HD2      TYR  42  -8.746  -0.450  -2.214
  349    HE1  TYR  42           HE1      TYR  42  -9.542   3.996  -0.263
  350    HE2  TYR  42           HE2      TYR  42 -10.189   1.153  -3.379
  351    HH   TYR  42           HH       TYR  42 -10.244   4.089  -3.160
  352    H    ILE  43           HN       ILE  43  -4.881   1.420  -1.930
  353    HA   ILE  43           HA       ILE  43  -4.278   3.854  -0.564
  354    HB   ILE  43           HB       ILE  43  -4.414   3.261  -3.516
  355   1HG1  ILE  43          HG11      ILE  43  -2.668   2.112  -2.011
  356   2HG1  ILE  43          HG12      ILE  43  -2.090   2.935  -3.456
  357   1HG2  ILE  43          HG21      ILE  43  -2.951   5.370  -3.637
  358   2HG2  ILE  43          HG22      ILE  43  -3.621   5.748  -2.049
  359   3HG2  ILE  43          HG23      ILE  43  -4.692   5.569  -3.439
  360   1HD1  ILE  43          HD11      ILE  43  -1.017   4.550  -2.280
  361   2HD1  ILE  43          HD12      ILE  43  -0.926   3.233  -1.106
  362   3HD1  ILE  43          HD13      ILE  43  -2.156   4.484  -0.934
  363    H    LEU  44           HN       LEU  44  -5.426   5.688  -0.416
  364    HA   LEU  44           HA       LEU  44  -8.144   5.652  -1.539
  365   1HB   LEU  44          HB2       LEU  44  -7.969   5.567   0.923
  366   2HB   LEU  44          HB1       LEU  44  -7.107   7.093   0.898
  367    HG   LEU  44           HG       LEU  44  -9.769   7.050  -0.402
  368   1HD1  LEU  44          HD11      LEU  44 -10.939   7.296   1.712
  369   2HD1  LEU  44          HD12      LEU  44  -9.436   7.025   2.596
  370   3HD1  LEU  44          HD13      LEU  44 -10.141   5.725   1.635
  371   1HD2  LEU  44          HD21      LEU  44  -8.793   9.131  -0.452
  372   2HD2  LEU  44          HD22      LEU  44  -8.061   8.943   1.142
  373   3HD2  LEU  44          HD23      LEU  44  -9.794   9.237   0.996
  374    H    GLU  45           HN       GLU  45  -5.192   7.431  -1.217
  375    HA   GLU  45           HA       GLU  45  -5.573   8.986  -3.472
  376   1HB   GLU  45          HB2       GLU  45  -6.024  11.194  -2.619
  377   2HB   GLU  45          HB1       GLU  45  -7.309  10.117  -2.095
  378   1HG   GLU  45          HG2       GLU  45  -6.871  10.454   0.059
  379   2HG   GLU  45          HG1       GLU  45  -5.131  10.309  -0.176
  380    H    GLY  46           HN       GLY  46  -3.637   9.888  -4.075
  381   1HA   GLY  46          HA2       GLY  46  -1.604  11.077  -3.116
  382   2HA   GLY  46          HA1       GLY  46  -1.481   9.673  -2.069
  383    H    LYS  47           HN       LYS  47   0.702  10.193  -3.440
  384    HA   LYS  47           HA       LYS  47   0.731   8.113  -5.513
  385   1HB   LYS  47          HB1       LYS  47   1.170  10.890  -5.933
  386   2HB   LYS  47          HB2       LYS  47   2.717  10.077  -6.122
  387   1HG   LYS  47          HG1       LYS  47   1.011   8.454  -7.528
  388   2HG   LYS  47          HG2       LYS  47   0.376  10.072  -7.847
  389   1HD   LYS  47          HD1       LYS  47   1.946   9.765  -9.539
  390   2HD   LYS  47          HD2       LYS  47   2.825  10.703  -8.330
  391   1HE   LYS  47          HE1       LYS  47   4.169   8.952  -7.744
  392   2HE   LYS  47          HE2       LYS  47   2.955   7.742  -8.154
  393   1HZ   LYS  47          HZ1       LYS  47   4.960   9.004  -9.842
  394   2HZ   LYS  47          HZ2       LYS  47   3.453   8.723 -10.558
  395   3HZ   LYS  47          HZ3       LYS  47   4.330   7.436  -9.898
  396    H    VAL  48           HN       VAL  48   2.157   6.576  -5.082
  397    HA   VAL  48           HA       VAL  48   4.593   7.283  -3.596
  398    HB   VAL  48           HB       VAL  48   2.656   5.071  -2.943
  399   1HG1  VAL  48          HG21      VAL  48   5.579   5.165  -2.200
  400   2HG1  VAL  48          HG22      VAL  48   4.734   3.888  -3.077
  401   3HG1  VAL  48          HG23      VAL  48   4.384   4.169  -1.370
  402   1HG2  VAL  48          HG11      VAL  48   3.046   5.924  -0.637
  403   2HG2  VAL  48          HG12      VAL  48   2.331   7.109  -1.732
  404   3HG2  VAL  48          HG13      VAL  48   4.047   7.201  -1.331
  405    H    GLU  49           HN       GLU  49   6.425   6.364  -4.312
  406    HA   GLU  49           HA       GLU  49   6.206   4.355  -6.457
  407   1HB   GLU  49          HB1       GLU  49   8.458   6.341  -6.139
  408   2HB   GLU  49          HB2       GLU  49   8.146   5.283  -7.509
  409   1HG   GLU  49          HG1       GLU  49   6.145   6.529  -8.057
  410   2HG   GLU  49          HG2       GLU  49   6.367   7.550  -6.636
  411    H    VAL  50           HN       VAL  50   6.765   2.441  -5.654
  412    HA   VAL  50           HA       VAL  50   8.737   2.321  -3.495
  413    HB   VAL  50           HB       VAL  50   6.801   0.223  -4.483
  414   1HG1  VAL  50          HG11      VAL  50   8.589  -0.977  -3.564
  415   2HG1  VAL  50          HG12      VAL  50   7.418  -0.853  -2.250
  416   3HG1  VAL  50          HG13      VAL  50   8.832   0.202  -2.272
  417   1HG2  VAL  50          HG21      VAL  50   6.732   1.824  -1.931
  418   2HG2  VAL  50          HG22      VAL  50   5.519   0.682  -2.510
  419   3HG2  VAL  50          HG23      VAL  50   5.782   2.200  -3.369
  420    H    THR  51           HN       THR  51  10.672   1.417  -3.702
  421    HA   THR  51           HA       THR  51  11.225  -0.242  -6.065
  422    HB   THR  51           HB       THR  51  13.142   1.780  -4.886
  423    HG1  THR  51           HG1      THR  51  11.614   2.909  -6.010
  424   1HG2  THR  51          HG21      THR  51  14.747   0.965  -6.171
  425   2HG2  THR  51          HG22      THR  51  13.682   0.883  -7.575
  426   3HG2  THR  51          HG23      THR  51  13.718  -0.447  -6.417
  427    H    THR  52           HN       THR  52  11.665  -2.228  -5.359
  428    HA   THR  52           HA       THR  52  12.623  -2.633  -2.653
  429    HB   THR  52           HB       THR  52  12.034  -4.893  -2.912
  430    HG1  THR  52           HG1      THR  52  12.228  -5.952  -4.726
  431   1HG2  THR  52          HG21      THR  52  10.148  -3.035  -3.467
  432   2HG2  THR  52          HG22      THR  52   9.839  -4.759  -3.268
  433   3HG2  THR  52          HG23      THR  52  10.036  -4.079  -4.883
  434    H    GLU  53           HN       GLU  53  14.572  -3.450  -2.049
  435    HA   GLU  53           HA       GLU  53  16.833  -2.919  -3.551
  436   1HB   GLU  53          HB1       GLU  53  16.685  -5.088  -1.458
  437   2HB   GLU  53          HB2       GLU  53  18.079  -4.113  -1.898
  438   1HG   GLU  53          HG2       GLU  53  16.259  -2.218  -1.146
  439   2HG   GLU  53          HG1       GLU  53  15.902  -3.549  -0.046
  440    H    ASP  54           HN       ASP  54  14.911  -5.851  -3.364
  441    HA   ASP  54           HA       ASP  54  16.606  -7.655  -4.618
  442   1HB   ASP  54          HB2       ASP  54  13.593  -7.438  -4.834
  443   2HB   ASP  54          HB1       ASP  54  14.539  -8.850  -5.297
  444    H    GLY  55           HN       GLY  55  14.659  -5.079  -5.960
  445   1HA   GLY  55          HA1       GLY  55  15.590  -4.107  -8.040
  446   2HA   GLY  55          HA2       GLY  55  15.722  -5.754  -8.633
  447    H    LYS  56           HN       LYS  56  12.950  -4.737  -6.787
  448    HA   LYS  56           HA       LYS  56  11.328  -4.928  -9.234
  449   1HB   LYS  56          HB1       LYS  56  10.183  -5.185  -6.472
  450   2HB   LYS  56          HB2       LYS  56   9.575  -5.826  -7.989
  451   1HG   LYS  56          HG1       LYS  56  12.068  -7.028  -7.624
  452   2HG   LYS  56          HG2       LYS  56  11.286  -7.056  -6.042
  453   1HD   LYS  56          HD2       LYS  56  10.005  -8.748  -6.698
  454   2HD   LYS  56          HD1       LYS  56   9.346  -7.752  -7.997
  455   1HE   LYS  56          HE1       LYS  56  11.189  -8.404  -9.450
  456   2HE   LYS  56          HE2       LYS  56  11.885  -9.371  -8.151
  457   1HZ   LYS  56          HZ1       LYS  56   9.556 -10.503  -8.205
  458   2HZ   LYS  56          HZ2       LYS  56  10.742 -10.946  -9.327
  459   3HZ   LYS  56          HZ3       LYS  56   9.500  -9.891  -9.781
  460    H    LYS  57           HN       LYS  57   9.093  -3.727  -8.778
  461    HA   LYS  57           HA       LYS  57   9.403  -1.237  -7.361
  462   1HB   LYS  57          HB1       LYS  57  10.381  -1.209  -9.885
  463   2HB   LYS  57          HB2       LYS  57   8.703  -0.791 -10.199
  464   1HG   LYS  57          HG2       LYS  57   8.833   1.144  -8.845
  465   2HG   LYS  57          HG1       LYS  57  10.394   0.655  -8.181
  466   1HD   LYS  57          HD1       LYS  57   9.852   1.398 -11.055
  467   2HD   LYS  57          HD2       LYS  57  10.652   2.417  -9.859
  468   1HE   LYS  57          HE2       LYS  57  12.593   1.494 -10.413
  469   2HE   LYS  57          HE1       LYS  57  11.992  -0.059  -9.834
  470   1HZ   LYS  57          HZ1       LYS  57  12.315  -0.692 -11.940
  471   2HZ   LYS  57          HZ2       LYS  57  12.336   0.889 -12.539
  472   3HZ   LYS  57          HZ3       LYS  57  10.861   0.109 -12.264
  473    H    TYR  58           HN       TYR  58   7.481  -0.521  -6.655
  474    HA   TYR  58           HA       TYR  58   5.059  -1.549  -7.975
  475   1HB   TYR  58          HB2       TYR  58   5.054  -1.076  -5.024
  476   2HB   TYR  58          HB1       TYR  58   4.074  -2.181  -5.981
  477    HD1  TYR  58           HD1      TYR  58   5.726  -3.959  -7.310
  478    HD2  TYR  58           HD2      TYR  58   6.448  -2.131  -3.536
  479    HE1  TYR  58           HE1      TYR  58   7.219  -5.818  -6.701
  480    HE2  TYR  58           HE2      TYR  58   7.942  -3.983  -2.916
  481    HH   TYR  58           HH       TYR  58   9.197  -5.726  -3.843
  482    H    VAL  59           HN       VAL  59   4.032   0.117  -8.838
  483    HA   VAL  59           HA       VAL  59   4.128   2.725  -7.496
  484    HB   VAL  59           HB       VAL  59   3.280   3.679  -9.569
  485   1HG1  VAL  59          HG11      VAL  59   5.685   3.437  -9.348
  486   2HG1  VAL  59          HG12      VAL  59   5.200   3.200 -11.028
  487   3HG1  VAL  59          HG13      VAL  59   5.603   1.808 -10.021
  488   1HG2  VAL  59          HG21      VAL  59   2.803   0.845 -10.221
  489   2HG2  VAL  59          HG22      VAL  59   3.405   1.848 -11.541
  490   3HG2  VAL  59          HG23      VAL  59   1.915   2.290 -10.707
  491    H    ILE  60           HN       ILE  60   2.503   3.120  -6.156
  492    HA   ILE  60           HA       ILE  60  -0.160   2.025  -6.805
  493    HB   ILE  60           HB       ILE  60  -0.544   2.150  -4.299
  494   1HG1  ILE  60          HG11      ILE  60   2.367   1.899  -3.860
  495   2HG1  ILE  60          HG12      ILE  60   1.806   3.518  -4.268
  496   1HG2  ILE  60          HG21      ILE  60  -0.173   0.047  -5.501
  497   2HG2  ILE  60          HG22      ILE  60   0.531   0.004  -3.884
  498   3HG2  ILE  60          HG23      ILE  60   1.568   0.239  -5.292
  499   1HD1  ILE  60          HD11      ILE  60   1.904   2.550  -1.767
  500   2HD1  ILE  60          HD12      ILE  60   0.246   2.132  -2.204
  501   3HD1  ILE  60          HD13      ILE  60   0.786   3.808  -2.295
  502    H    GLU  61           HN       GLU  61  -1.558   3.582  -7.361
  503    HA   GLU  61           HA       GLU  61  -1.496   6.095  -5.864
  504   1HB   GLU  61          HB2       GLU  61  -0.256   6.251  -8.092
  505   2HB   GLU  61          HB1       GLU  61  -1.833   6.080  -8.854
  506   1HG   GLU  61          HG1       GLU  61  -2.597   8.070  -7.585
  507   2HG   GLU  61          HG2       GLU  61  -0.948   8.267  -6.991
  508    H    LYS  62           HN       LYS  62  -3.352   6.968  -5.387
  509    HA   LYS  62           HA       LYS  62  -5.611   6.779  -4.821
  510   1HB   LYS  62          HB2       LYS  62  -4.905   8.358  -6.939
  511   2HB   LYS  62          HB1       LYS  62  -6.245   7.438  -7.608
  512   1HG   LYS  62          HG2       LYS  62  -6.244   9.289  -5.253
  513   2HG   LYS  62          HG1       LYS  62  -7.206   9.377  -6.727
  514   1HD   LYS  62          HD1       LYS  62  -8.261   7.185  -5.999
  515   2HD   LYS  62          HD2       LYS  62  -7.495   7.456  -4.432
  516   1HE   LYS  62          HE1       LYS  62  -8.669   9.548  -4.174
  517   2HE   LYS  62          HE2       LYS  62  -9.365   9.391  -5.786
  518   1HZ   LYS  62          HZ1       LYS  62  -9.943   7.081  -4.282
  519   2HZ   LYS  62          HZ2       LYS  62 -11.017   8.204  -4.949
  520   3HZ   LYS  62          HZ3       LYS  62 -10.402   8.443  -3.392
  521    H    GLY  63           HN       GLY  63  -6.764   5.040  -4.413
  522   1HA   GLY  63          HA2       GLY  63  -8.308   3.374  -4.751
  523   2HA   GLY  63          HA1       GLY  63  -8.455   3.950  -6.402
  524    H    ASP  64           HN       ASP  64  -5.770   2.460  -4.611
  525    HA   ASP  64           HA       ASP  64  -5.951   0.098  -6.287
  526   1HB   ASP  64          HB1       ASP  64  -3.692   0.197  -7.100
  527   2HB   ASP  64          HB2       ASP  64  -4.482   1.714  -7.521
  528    H    LEU  65           HN       LEU  65  -5.266  -1.724  -5.262
  529    HA   LEU  65           HA       LEU  65  -4.004  -1.349  -2.632
  530   1HB   LEU  65          HB2       LEU  65  -5.156  -3.530  -2.034
  531   2HB   LEU  65          HB1       LEU  65  -6.140  -2.091  -2.149
  532    HG   LEU  65           HG       LEU  65  -7.069  -2.773  -4.226
  533   1HD1  LEU  65          HD11      LEU  65  -5.367  -3.732  -5.467
  534   2HD1  LEU  65          HD12      LEU  65  -6.387  -5.119  -5.079
  535   3HD1  LEU  65          HD13      LEU  65  -4.904  -4.833  -4.168
  536   1HD2  LEU  65          HD21      LEU  65  -7.577  -3.982  -1.882
  537   2HD2  LEU  65          HD22      LEU  65  -7.152  -5.384  -2.866
  538   3HD2  LEU  65          HD23      LEU  65  -8.466  -4.321  -3.368
  539    H    VAL  66           HN       VAL  66  -2.456  -2.872  -1.951
  540    HA   VAL  66           HA       VAL  66  -1.480  -4.679  -4.040
  541    HB   VAL  66           HB       VAL  66   0.241  -2.736  -2.505
  542   1HG1  VAL  66          HG21      VAL  66   1.650  -4.544  -2.778
  543   2HG1  VAL  66          HG22      VAL  66   1.954  -3.626  -4.251
  544   3HG1  VAL  66          HG23      VAL  66   0.900  -5.037  -4.294
  545   1HG2  VAL  66          HG11      VAL  66  -0.733  -1.454  -4.148
  546   2HG2  VAL  66          HG12      VAL  66  -0.840  -2.797  -5.284
  547   3HG2  VAL  66          HG13      VAL  66   0.718  -2.034  -4.966
  548    H    THR  67           HN       THR  67  -0.165  -6.382  -3.385
  549    HA   THR  67           HA       THR  67  -0.612  -7.211  -0.607
  550    HB   THR  67           HB       THR  67   0.110  -8.736  -3.115
  551    HG1  THR  67           HG1      THR  67  -2.139  -8.784  -1.390
  552   1HG2  THR  67          HG21      THR  67   1.300  -9.753  -1.235
  553   2HG2  THR  67          HG22      THR  67   0.007 -10.788  -1.842
  554   3HG2  THR  67          HG23      THR  67  -0.221  -9.878  -0.350
  555    H    PHE  68           HN       PHE  68   1.113  -7.839   0.708
  556    HA   PHE  68           HA       PHE  68   3.799  -7.450  -0.393
  557   1HB   PHE  68          HB2       PHE  68   2.794  -6.197   2.165
  558   2HB   PHE  68          HB1       PHE  68   4.437  -6.088   1.540
  559    HD1  PHE  68           HD1      PHE  68   1.422  -4.409   1.791
  560    HD2  PHE  68           HD2      PHE  68   4.545  -5.213  -0.984
  561    HE1  PHE  68           HE1      PHE  68   0.794  -2.403   0.511
  562    HE2  PHE  68           HE2      PHE  68   3.925  -3.209  -2.270
  563    HZ   PHE  68           HZ       PHE  68   2.025  -1.832  -1.561
  564    HA   PRO  69           HA       PRO  69   4.400 -11.135   2.047
  565   1HB   PRO  69          HB1       PRO  69   6.859 -11.745   1.208
  566   2HB   PRO  69          HB2       PRO  69   5.476 -11.842   0.113
  567   1HG   PRO  69          HG1       PRO  69   7.573  -9.727   0.338
  568   2HG   PRO  69          HG2       PRO  69   6.821 -10.409  -1.115
  569   1HD   PRO  69          HD2       PRO  69   6.103  -8.011   0.084
  570   2HD   PRO  69          HD1       PRO  69   5.085  -8.941  -1.029
  571    H    LYS  70           HN       LYS  70   5.467 -11.789   3.895
  572    HA   LYS  70           HA       LYS  70   6.446  -9.873   5.657
  573   1HB   LYS  70          HB1       LYS  70   6.023 -12.705   5.652
  574   2HB   LYS  70          HB2       LYS  70   7.606 -12.376   6.343
  575   1HG   LYS  70          HG2       LYS  70   6.582 -10.834   7.941
  576   2HG   LYS  70          HG1       LYS  70   4.995 -11.188   7.257
  577   1HD   LYS  70          HD2       LYS  70   4.844 -12.838   8.747
  578   2HD   LYS  70          HD1       LYS  70   6.074 -13.684   7.803
  579   1HE   LYS  70          HE1       LYS  70   7.770 -12.342   9.182
  580   2HE   LYS  70          HE2       LYS  70   6.420 -12.003  10.264
  581   1HZ   LYS  70          HZ1       LYS  70   6.102 -14.393  10.534
  582   2HZ   LYS  70          HZ2       LYS  70   7.653 -13.922  11.015
  583   3HZ   LYS  70          HZ3       LYS  70   7.428 -14.697   9.529
  584    H    GLY  71           HN       GLY  71   8.366  -8.897   5.880
  585   1HA   GLY  71          HA2       GLY  71  10.735  -8.860   5.929
  586   2HA   GLY  71          HA1       GLY  71  10.754 -10.195   4.790
  587    H    LEU  72           HN       LEU  72   8.633  -8.514   3.234
  588    HA   LEU  72           HA       LEU  72  10.207  -7.652   1.184
  589   1HB   LEU  72          HB2       LEU  72   7.894  -7.763   0.803
  590   2HB   LEU  72          HB1       LEU  72   7.528  -6.700   2.146
  591    HG   LEU  72           HG       LEU  72   8.108  -4.772   0.937
  592   1HD1  LEU  72          HD11      LEU  72  10.032  -4.891  -0.197
  593   2HD1  LEU  72          HD12      LEU  72   9.031  -5.406  -1.554
  594   3HD1  LEU  72          HD13      LEU  72   9.832  -6.610  -0.545
  595   1HD2  LEU  72          HD21      LEU  72   6.885  -6.617  -1.108
  596   2HD2  LEU  72          HD22      LEU  72   6.750  -4.860  -1.044
  597   3HD2  LEU  72          HD23      LEU  72   6.001  -5.847   0.211
  598    H    ARG  73           HN       ARG  73  12.087  -6.593   1.858
  599    HA   ARG  73           HA       ARG  73  11.853  -4.054   3.254
  600   1HB   ARG  73          HB1       ARG  73  13.755  -5.943   3.371
  601   2HB   ARG  73          HB2       ARG  73  14.446  -4.944   2.100
  602   1HG   ARG  73          HG1       ARG  73  13.655  -3.166   4.112
  603   2HG   ARG  73          HG2       ARG  73  14.426  -4.523   4.935
  604   1HD   ARG  73          HD2       ARG  73  15.598  -2.888   2.690
  605   2HD   ARG  73          HD1       ARG  73  16.070  -2.826   4.387
  606    HE   ARG  73           HE       ARG  73  16.931  -4.719   2.443
  607   1HH1  ARG  73          HH12      ARG  73  16.184  -4.339   5.824
  608   2HH1  ARG  73          HH11      ARG  73  17.231  -5.622   6.332
  609   1HH2  ARG  73          HH22      ARG  73  18.311  -6.409   3.101
  610   2HH2  ARG  73          HH21      ARG  73  18.440  -6.798   4.784
  611    H    CYS  74           HN       CYS  74  11.412  -2.249   2.164
  612    HA   CYS  74           HA       CYS  74  12.822  -1.686  -0.308
  613   1HB   CYS  74          HB2       CYS  74  10.731  -1.106  -1.528
  614   2HB   CYS  74          HB1       CYS  74  10.878  -2.826  -1.180
  615    HG   CYS  74           HG       CYS  74   8.754  -0.937  -0.029
  616    H    ARG  75           HN       ARG  75  12.560   0.541  -1.022
  617    HA   ARG  75           HA       ARG  75  12.249   2.328   1.262
  618   1HB   ARG  75          HB1       ARG  75  14.248   2.353  -0.348
  619   2HB   ARG  75          HB2       ARG  75  13.158   3.102  -1.506
  620   1HG   ARG  75          HG2       ARG  75  13.366   4.308   1.199
  621   2HG   ARG  75          HG1       ARG  75  14.704   4.534   0.071
  622   1HD   ARG  75          HD2       ARG  75  12.312   4.987  -1.362
  623   2HD   ARG  75          HD1       ARG  75  12.184   5.868   0.158
  624    HE   ARG  75           HE       ARG  75  13.959   6.438  -2.032
  625   1HH1  ARG  75          HH12      ARG  75  13.395   6.814   1.384
  626   2HH1  ARG  75          HH11      ARG  75  14.380   8.233   1.521
  627   1HH2  ARG  75          HH22      ARG  75  15.257   8.303  -1.863
  628   2HH2  ARG  75          HH21      ARG  75  15.439   9.080  -0.326
  629    H    TRP  76           HN       TRP  76  10.749   3.957   1.387
  630    HA   TRP  76           HA       TRP  76   8.643   3.907  -0.668
  631   1HB   TRP  76          HB2       TRP  76   8.528   4.578   2.275
  632   2HB   TRP  76          HB1       TRP  76   7.197   4.882   1.164
  633    HD1  TRP  76           HD1      TRP  76   9.364   1.813   2.181
  634    HE1  TRP  76           HE1      TRP  76   7.813  -0.239   2.273
  635    HE3  TRP  76           HE3      TRP  76   4.996   4.030   0.721
  636    HZ2  TRP  76           HZ2      TRP  76   5.098  -0.838   1.792
  637    HZ3  TRP  76           HZ3      TRP  76   2.966   2.647   0.563
  638    HH2  TRP  76           HH2      TRP  76   3.020   0.264   1.086
  639    H    LYS  77           HN       LYS  77   7.786   5.814  -1.466
  640    HA   LYS  77           HA       LYS  77   8.927   8.350  -0.601
  641   1HB   LYS  77          HB1       LYS  77   8.945   8.240  -3.503
  642   2HB   LYS  77          HB2       LYS  77  10.204   8.767  -2.398
  643   1HG   LYS  77          HG2       LYS  77  11.163   6.650  -2.279
  644   2HG   LYS  77          HG1       LYS  77   9.705   5.855  -2.880
  645   1HD   LYS  77          HD1       LYS  77  10.066   6.982  -5.071
  646   2HD   LYS  77          HD2       LYS  77  11.598   7.601  -4.450
  647   1HE   LYS  77          HE1       LYS  77  11.975   5.033  -3.899
  648   2HE   LYS  77          HE2       LYS  77  10.836   4.839  -5.231
  649   1HZ   LYS  77          HZ1       LYS  77  12.536   6.636  -6.246
  650   2HZ   LYS  77          HZ2       LYS  77  12.682   4.965  -6.470
  651   3HZ   LYS  77          HZ3       LYS  77  13.585   5.738  -5.269
  652    H    VAL  78           HN       VAL  78   7.210   9.584  -0.264
  653    HA   VAL  78           HA       VAL  78   4.832   9.205  -1.933
  654    HB   VAL  78           HB       VAL  78   5.154  10.663   0.692
  655   1HG1  VAL  78          HG11      VAL  78   2.445  10.029  -0.080
  656   2HG1  VAL  78          HG12      VAL  78   3.218  11.078  -1.267
  657   3HG1  VAL  78          HG13      VAL  78   3.137  11.570   0.424
  658   1HG2  VAL  78          HG21      VAL  78   3.487   8.222   0.273
  659   2HG2  VAL  78          HG22      VAL  78   4.230   8.836   1.750
  660   3HG2  VAL  78          HG23      VAL  78   5.227   8.064   0.517
  661    H    LEU  79           HN       LEU  79   4.401  10.588  -3.505
  662    HA   LEU  79           HA       LEU  79   5.926  13.055  -3.719
  663   1HB   LEU  79          HB2       LEU  79   3.858  12.341  -5.726
  664   2HB   LEU  79          HB1       LEU  79   5.456  13.022  -5.962
  665    HG   LEU  79           HG       LEU  79   4.670  10.146  -5.613
  666   1HD1  LEU  79          HD11      LEU  79   6.296  11.669  -7.640
  667   2HD1  LEU  79          HD12      LEU  79   4.700  10.953  -7.869
  668   3HD1  LEU  79          HD13      LEU  79   6.105   9.915  -7.626
  669   1HD2  LEU  79          HD21      LEU  79   7.108  11.436  -4.674
  670   2HD2  LEU  79          HD22      LEU  79   7.398  10.105  -5.794
  671   3HD2  LEU  79          HD23      LEU  79   6.462   9.833  -4.325
  672    H    GLU  80           HN       GLU  80   2.727  11.985  -2.961
  673    HA   GLU  80           HA       GLU  80   1.926  14.743  -2.419
  674   1HB   GLU  80          HB2       GLU  80   0.796  12.967  -4.478
  675   2HB   GLU  80          HB1       GLU  80  -0.398  13.728  -3.432
  676   1HG   GLU  80          HG2       GLU  80   1.737  15.222  -4.938
  677   2HG   GLU  80          HG1       GLU  80   0.089  14.980  -5.519
  678    HA   PRO  81           HA       PRO  81   0.435  13.378   1.514
  679   1HB   PRO  81          HB2       PRO  81  -2.107  14.592   0.458
  680   2HB   PRO  81          HB1       PRO  81  -1.409  14.701   2.081
  681   1HG   PRO  81          HG2       PRO  81  -1.059  16.689   0.357
  682   2HG   PRO  81          HG1       PRO  81   0.275  16.165   1.395
  683   1HD   PRO  81          HD2       PRO  81  -0.118  15.766  -1.519
  684   2HD   PRO  81          HD1       PRO  81   1.387  15.849  -0.582
  685    H    VAL  82           HN       VAL  82   0.124  11.284   1.800
  686    HA   VAL  82           HA       VAL  82  -1.709   9.888   0.026
  687    HB   VAL  82           HB       VAL  82   0.899   9.367   0.867
  688   1HG1  VAL  82          HG21      VAL  82  -0.097   8.286   2.907
  689   2HG1  VAL  82          HG22      VAL  82   0.952   7.260   1.928
  690   3HG1  VAL  82          HG23      VAL  82  -0.799   7.081   1.826
  691   1HG2  VAL  82          HG11      VAL  82   0.213   7.106  -0.424
  692   2HG2  VAL  82          HG12      VAL  82   0.552   8.644  -1.218
  693   3HG2  VAL  82          HG13      VAL  82  -1.115   8.167  -0.893
  694    H    ARG  83           HN       ARG  83  -3.336   8.604   0.654
  695    HA   ARG  83           HA       ARG  83  -3.910   8.336   3.521
  696   1HB   ARG  83          HB2       ARG  83  -5.747   9.261   1.338
  697   2HB   ARG  83          HB1       ARG  83  -6.397   8.382   2.713
  698   1HG   ARG  83          HG2       ARG  83  -4.640  10.489   3.585
  699   2HG   ARG  83          HG1       ARG  83  -5.914  11.114   2.537
  700   1HD   ARG  83          HD2       ARG  83  -7.409   9.531   4.055
  701   2HD   ARG  83          HD1       ARG  83  -6.104   9.827   5.204
  702    HE   ARG  83           HE       ARG  83  -7.117  12.222   3.992
  703   1HH1  ARG  83          HH22      ARG  83  -7.568   9.912   6.559
  704   2HH1  ARG  83          HH21      ARG  83  -8.418  11.021   7.583
  705   1HH2  ARG  83          HH12      ARG  83  -8.235  13.691   5.332
  706   2HH2  ARG  83          HH11      ARG  83  -8.796  13.169   6.886
  707    H    LYS  84           HN       LYS  84  -3.792   6.230   3.975
  708    HA   LYS  84           HA       LYS  84  -4.617   4.325   1.886
  709   1HB   LYS  84          HB1       LYS  84  -2.246   4.268   2.032
  710   2HB   LYS  84          HB2       LYS  84  -2.280   4.275   3.788
  711   1HG   LYS  84          HG2       LYS  84  -3.285   2.015   3.735
  712   2HG   LYS  84          HG1       LYS  84  -3.097   2.016   1.980
  713   1HD   LYS  84          HD2       LYS  84  -0.760   2.564   3.775
  714   2HD   LYS  84          HD1       LYS  84  -1.259   0.909   3.431
  715   1HE   LYS  84          HE1       LYS  84  -0.739   1.082   1.181
  716   2HE   LYS  84          HE2       LYS  84  -0.848   2.841   1.190
  717   1HZ   LYS  84          HZ1       LYS  84   1.296   3.015   1.682
  718   2HZ   LYS  84          HZ2       LYS  84   1.442   1.365   1.345
  719   3HZ   LYS  84          HZ3       LYS  84   1.199   1.884   2.936
  720    H    HIS  85           HN       HIS  85  -5.431   2.311   2.538
  721    HA   HIS  85           HA       HIS  85  -6.675   2.333   5.200
  722   1HB   HIS  85          HB1       HIS  85  -7.549   1.259   2.550
  723   2HB   HIS  85          HB2       HIS  85  -8.124   0.474   4.017
  724    HD1  HIS  85           HD1      HIS  85 -10.172   1.464   5.018
  725    HD2  HIS  85           HD2      HIS  85  -8.151   4.164   2.595
  726    HE1  HIS  85           HE1      HIS  85 -11.619   3.521   4.953
  727    HE2  HIS  85           HE2      HIS  85 -10.377   5.144   3.479
  728    H    TYR  86           HN       TYR  86  -6.905   0.167   6.232
  729    HA   TYR  86           HA       TYR  86  -4.450  -1.388   5.744
  730   1HB   TYR  86          HB2       TYR  86  -5.877  -0.514   8.220
  731   2HB   TYR  86          HB1       TYR  86  -4.865  -1.949   8.274
  732    HD1  TYR  86           HD1      TYR  86  -3.884  -0.291  10.105
  733    HD2  TYR  86           HD2      TYR  86  -3.466   0.224   5.907
  734    HE1  TYR  86           HE1      TYR  86  -1.913   1.124  10.475
  735    HE2  TYR  86           HE2      TYR  86  -1.505   1.630   6.256
  736    HH   TYR  86           HH       TYR  86   0.310   1.713   8.615
  737    H    ASN  87           HN       ASN  87  -4.369  -3.554   6.151
  738    HA   ASN  87           HA       ASN  87  -6.560  -5.166   6.905
  739   1HB   ASN  87          HB2       ASN  87  -6.888  -4.330   4.349
  740   2HB   ASN  87          HB1       ASN  87  -5.915  -5.772   4.078
  741   1HD2  ASN  87          HD21      ASN  87  -7.102  -7.464   3.625
  742   2HD2  ASN  87          HD22      ASN  87  -8.650  -7.840   4.297
  743    H    LEU  88           HN       LEU  88  -4.324  -5.302   8.072
  744    HA   LEU  88           HA       LEU  88  -2.663  -7.338   6.767
  745   1HB   LEU  88          HB2       LEU  88  -1.139  -6.603   8.854
  746   2HB   LEU  88          HB1       LEU  88  -1.068  -5.853   7.275
  747    HG   LEU  88           HG       LEU  88  -1.049  -4.220   9.120
  748   1HD1  LEU  88          HD11      LEU  88  -1.888  -2.840   7.626
  749   2HD1  LEU  88          HD12      LEU  88  -3.519  -3.331   8.086
  750   3HD1  LEU  88          HD13      LEU  88  -2.668  -4.191   6.805
  751   1HD2  LEU  88          HD21      LEU  88  -3.466  -3.861  10.096
  752   2HD2  LEU  88          HD22      LEU  88  -2.311  -4.950  10.863
  753   3HD2  LEU  88          HD23      LEU  88  -3.577  -5.597   9.824
  754    H    PHE  89           HN       PHE  89  -1.962  -9.167   7.892
  755    HA   PHE  89           HA       PHE  89  -3.024  -9.731  10.515
  756   1HB   PHE  89          HB1       PHE  89  -4.025 -11.948   9.546
  757   2HB   PHE  89          HB2       PHE  89  -4.972 -10.465   9.489
  758    HD1  PHE  89           HD1      PHE  89  -5.304  -9.280   7.382
  759    HD2  PHE  89           HD2      PHE  89  -3.179 -12.965   7.547
  760    HE1  PHE  89           HE1      PHE  89  -5.538  -9.520   4.944
  761    HE2  PHE  89           HE2      PHE  89  -3.410 -13.211   5.109
  762    HZ   PHE  89           HZ       PHE  89  -4.595 -11.491   3.805
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1   7.651 -10.058  -4.885
    2   2H    MET   1          HT2       MET   1   8.405 -10.685  -6.294
    3   3H    MET   1          HT3       MET   1   9.251 -10.672  -4.801
    4    HA   MET   1           HA       MET   1   8.310 -12.835  -5.549
    5   1HB   MET   1          HB2       MET   1   8.238 -11.469  -2.956
    6   2HB   MET   1          HB1       MET   1   7.169 -12.863  -3.041
    7   1HG   MET   1          HG1       MET   1   9.415 -13.893  -4.129
    8   2HG   MET   1          HG2       MET   1  10.102 -12.721  -3.004
    9   1HE   MET   1          HE1       MET   1   7.101 -15.625  -2.803
   10   2HE   MET   1          HE2       MET   1   8.308 -16.741  -2.163
   11   3HE   MET   1          HE3       MET   1   8.584 -15.932  -3.707
   12    H    GLU   2           HN       GLU   2   5.862 -11.272  -3.523
   13    HA   GLU   2           HA       GLU   2   3.819 -12.090  -5.480
   14   1HB   GLU   2          HB1       GLU   2   3.897 -13.555  -3.451
   15   2HB   GLU   2          HB2       GLU   2   3.511 -12.145  -2.474
   16   1HG   GLU   2          HG2       GLU   2   1.458 -11.939  -4.049
   17   2HG   GLU   2          HG1       GLU   2   1.797 -13.631  -4.410
   18    H    VAL   3           HN       VAL   3   4.704  -9.640  -5.816
   19    HA   VAL   3           HA       VAL   3   2.935  -7.837  -4.320
   20    HB   VAL   3           HB       VAL   3   4.923  -6.744  -6.244
   21   1HG1  VAL   3          HG21      VAL   3   3.383  -5.865  -3.941
   22   2HG1  VAL   3          HG22      VAL   3   4.066  -4.931  -5.270
   23   3HG1  VAL   3          HG23      VAL   3   5.069  -5.355  -3.882
   24   1HG2  VAL   3          HG11      VAL   3   6.368  -6.818  -3.911
   25   2HG2  VAL   3          HG12      VAL   3   6.636  -7.850  -5.316
   26   3HG2  VAL   3          HG13      VAL   3   5.649  -8.426  -3.972
   27    H    LYS   4           HN       LYS   4   1.066  -7.338  -5.238
   28    HA   LYS   4           HA       LYS   4   0.931  -7.284  -8.179
   29   1HB   LYS   4          HB1       LYS   4  -1.245  -8.192  -8.121
   30   2HB   LYS   4          HB2       LYS   4  -0.317  -9.153  -6.983
   31   1HG   LYS   4          HG2       LYS   4  -1.492  -6.973  -5.579
   32   2HG   LYS   4          HG1       LYS   4  -2.735  -7.767  -6.547
   33   1HD   LYS   4          HD1       LYS   4  -1.734  -9.955  -5.581
   34   2HD   LYS   4          HD2       LYS   4  -1.028  -8.891  -4.363
   35   1HE   LYS   4          HE2       LYS   4  -3.087  -9.685  -3.483
   36   2HE   LYS   4          HE1       LYS   4  -3.332  -8.000  -3.939
   37   1HZ   LYS   4          HZ1       LYS   4  -5.199  -9.189  -4.704
   38   2HZ   LYS   4          HZ2       LYS   4  -4.254 -10.417  -5.381
   39   3HZ   LYS   4          HZ3       LYS   4  -4.265  -8.877  -6.080
   40    H    ILE   5           HN       ILE   5  -0.205  -5.650  -9.176
   41    HA   ILE   5           HA       ILE   5  -1.032  -3.417  -7.436
   42    HB   ILE   5           HB       ILE   5  -0.107  -3.146 -10.292
   43   1HG1  ILE   5          HG11      ILE   5   1.800  -3.942  -9.090
   44   2HG1  ILE   5          HG12      ILE   5   1.990  -2.200  -9.252
   45   1HG2  ILE   5          HG21      ILE   5   0.312  -0.755  -9.204
   46   2HG2  ILE   5          HG22      ILE   5  -1.000  -1.297  -8.158
   47   3HG2  ILE   5          HG23      ILE   5  -1.241  -1.217  -9.903
   48   1HD1  ILE   5          HD11      ILE   5   1.377  -1.842  -6.988
   49   2HD1  ILE   5          HD12      ILE   5   2.590  -3.121  -7.019
   50   3HD1  ILE   5          HD13      ILE   5   0.888  -3.525  -6.795
   51    H    GLU   6           HN       GLU   6  -3.158  -3.120  -7.421
   52    HA   GLU   6           HA       GLU   6  -4.666  -3.307  -9.903
   53   1HB   GLU   6          HB2       GLU   6  -4.579  -5.495  -8.190
   54   2HB   GLU   6          HB1       GLU   6  -6.087  -4.693  -7.771
   55   1HG   GLU   6          HG2       GLU   6  -7.085  -5.403  -9.619
   56   2HG   GLU   6          HG1       GLU   6  -5.736  -4.891 -10.635
   57    H    LYS   7           HN       LYS   7  -6.689  -2.275  -9.845
   58    HA   LYS   7           HA       LYS   7  -7.075  -0.511  -7.517
   59   1HB   LYS   7          HB1       LYS   7  -7.604  -0.052 -10.453
   60   2HB   LYS   7          HB2       LYS   7  -8.288   0.974  -9.201
   61   1HG   LYS   7          HG1       LYS   7  -6.374   2.077  -8.903
   62   2HG   LYS   7          HG2       LYS   7  -5.412   0.597  -8.928
   63   1HD   LYS   7          HD2       LYS   7  -5.247   0.610 -11.268
   64   2HD   LYS   7          HD1       LYS   7  -6.572   1.762 -11.440
   65   1HE   LYS   7          HE2       LYS   7  -3.858   2.344 -10.259
   66   2HE   LYS   7          HE1       LYS   7  -4.412   2.822 -11.864
   67   1HZ   LYS   7          HZ1       LYS   7  -4.729   4.698 -10.554
   68   2HZ   LYS   7          HZ2       LYS   7  -5.320   3.818  -9.236
   69   3HZ   LYS   7          HZ3       LYS   7  -6.271   4.009 -10.621
   70    HA   PRO   8           HA       PRO   8 -10.615  -3.354  -7.142
   71   1HB   PRO   8          HB2       PRO   8 -11.065  -1.436  -4.898
   72   2HB   PRO   8          HB1       PRO   8 -11.173  -3.199  -4.910
   73   1HG   PRO   8          HG1       PRO   8  -9.056  -1.946  -3.859
   74   2HG   PRO   8          HG2       PRO   8  -8.893  -3.474  -4.740
   75   1HD   PRO   8          HD2       PRO   8  -8.134  -0.734  -5.559
   76   2HD   PRO   8          HD1       PRO   8  -7.453  -2.293  -6.053
   77    H    THR   9           HN       THR   9 -12.561  -3.179  -8.003
   78    HA   THR   9           HA       THR   9 -13.542  -0.549  -8.789
   79    HB   THR   9           HB       THR   9 -13.723  -1.977 -10.611
   80    HG1  THR   9           HG1      THR   9 -15.801  -1.917 -10.972
   81   1HG2  THR   9          HG21      THR   9 -14.257  -4.106  -8.631
   82   2HG2  THR   9          HG22      THR   9 -13.225  -4.113 -10.061
   83   3HG2  THR   9          HG23      THR   9 -14.974  -4.271 -10.234
   84    HA   PRO  10           HA       PRO  10 -16.697   0.198  -5.824
   85   1HB   PRO  10          HB1       PRO  10 -18.920  -0.055  -7.615
   86   2HB   PRO  10          HB2       PRO  10 -18.173   1.425  -7.012
   87   1HG   PRO  10          HG2       PRO  10 -17.762   0.016  -9.579
   88   2HG   PRO  10          HG1       PRO  10 -17.544   1.731  -9.187
   89   1HD   PRO  10          HD2       PRO  10 -15.447   0.110  -9.595
   90   2HD   PRO  10          HD1       PRO  10 -15.396   1.398  -8.374
   91    H    GLU  11           HN       GLU  11 -17.068  -2.505  -8.041
   92    HA   GLU  11           HA       GLU  11 -19.033  -3.863  -6.464
   93   1HB   GLU  11          HB1       GLU  11 -17.220  -4.990  -8.605
   94   2HB   GLU  11          HB2       GLU  11 -18.696  -5.722  -7.993
   95   1HG   GLU  11          HG2       GLU  11 -19.126  -3.029  -8.980
   96   2HG   GLU  11          HG1       GLU  11 -18.464  -4.107 -10.209
   97    H    LYS  12           HN       LYS  12 -15.521  -4.070  -6.826
   98    HA   LYS  12           HA       LYS  12 -15.270  -6.336  -5.079
   99   1HB   LYS  12          HB1       LYS  12 -13.658  -5.284  -6.975
  100   2HB   LYS  12          HB2       LYS  12 -12.927  -4.584  -5.538
  101   1HG   LYS  12          HG1       LYS  12 -11.939  -6.498  -5.021
  102   2HG   LYS  12          HG2       LYS  12 -13.458  -7.386  -5.149
  103   1HD   LYS  12          HD1       LYS  12 -12.108  -8.380  -6.767
  104   2HD   LYS  12          HD2       LYS  12 -13.088  -7.240  -7.690
  105   1HE   LYS  12          HE1       LYS  12 -11.252  -6.240  -8.430
  106   2HE   LYS  12          HE2       LYS  12 -10.768  -5.880  -6.773
  107   1HZ   LYS  12          HZ1       LYS  12  -9.075  -7.145  -7.948
  108   2HZ   LYS  12          HZ2       LYS  12 -10.175  -8.399  -8.230
  109   3HZ   LYS  12          HZ3       LYS  12  -9.695  -8.035  -6.650
  110    H    LEU  13           HN       LEU  13 -14.856  -2.848  -4.804
  111    HA   LEU  13           HA       LEU  13 -13.746  -2.744  -2.250
  112   1HB   LEU  13          HB1       LEU  13 -15.574  -0.787  -3.642
  113   2HB   LEU  13          HB2       LEU  13 -14.693  -0.437  -2.167
  114    HG   LEU  13           HG       LEU  13 -13.180  -1.352  -4.577
  115   1HD1  LEU  13          HD11      LEU  13 -14.865   0.914  -4.602
  116   2HD1  LEU  13          HD12      LEU  13 -13.667   0.425  -5.801
  117   3HD1  LEU  13          HD13      LEU  13 -13.202   1.491  -4.476
  118   1HD2  LEU  13          HD21      LEU  13 -11.536   0.289  -3.566
  119   2HD2  LEU  13          HD22      LEU  13 -11.873  -1.166  -2.629
  120   3HD2  LEU  13          HD23      LEU  13 -12.619   0.366  -2.177
  121    H    LYS  14           HN       LYS  14 -17.049  -3.254  -3.268
  122    HA   LYS  14           HA       LYS  14 -18.443  -2.591  -0.965
  123   1HB   LYS  14          HB1       LYS  14 -18.880  -4.346  -3.275
  124   2HB   LYS  14          HB2       LYS  14 -19.730  -4.868  -1.827
  125   1HG   LYS  14          HG2       LYS  14 -20.785  -2.678  -1.645
  126   2HG   LYS  14          HG1       LYS  14 -19.923  -2.142  -3.089
  127   1HD   LYS  14          HD1       LYS  14 -21.104  -3.658  -4.472
  128   2HD   LYS  14          HD2       LYS  14 -21.750  -4.532  -3.082
  129   1HE   LYS  14          HE1       LYS  14 -22.607  -1.952  -2.655
  130   2HE   LYS  14          HE2       LYS  14 -22.734  -2.131  -4.404
  131   1HZ   LYS  14          HZ1       LYS  14 -23.850  -4.122  -2.518
  132   2HZ   LYS  14          HZ2       LYS  14 -24.179  -3.952  -4.169
  133   3HZ   LYS  14          HZ3       LYS  14 -24.742  -2.795  -3.069
  134    H    GLU  15           HN       GLU  15 -16.938  -5.700  -1.810
  135    HA   GLU  15           HA       GLU  15 -17.415  -6.788   0.825
  136   1HB   GLU  15          HB1       GLU  15 -15.610  -7.919  -1.315
  137   2HB   GLU  15          HB2       GLU  15 -16.363  -8.779   0.021
  138   1HG   GLU  15          HG2       GLU  15 -18.525  -7.744  -1.288
  139   2HG   GLU  15          HG1       GLU  15 -17.418  -8.103  -2.612
  140    H    LEU  16           HN       LEU  16 -14.951  -5.027  -0.818
  141    HA   LEU  16           HA       LEU  16 -12.911  -5.642   1.160
  142   1HB   LEU  16          HB2       LEU  16 -12.989  -4.506  -1.536
  143   2HB   LEU  16          HB1       LEU  16 -11.909  -3.645  -0.457
  144    HG   LEU  16           HG       LEU  16 -10.522  -5.515  -0.154
  145   1HD1  LEU  16          HD11      LEU  16 -12.776  -7.157  -1.290
  146   2HD1  LEU  16          HD12      LEU  16 -12.108  -7.220   0.341
  147   3HD1  LEU  16          HD13      LEU  16 -11.146  -7.778  -1.028
  148   1HD2  LEU  16          HD21      LEU  16 -10.047  -4.638  -2.271
  149   2HD2  LEU  16          HD22      LEU  16 -11.507  -5.327  -2.982
  150   3HD2  LEU  16          HD23      LEU  16 -10.166  -6.379  -2.527
  151    H    SER  17           HN       SER  17 -15.496  -3.939   1.519
  152    HA   SER  17           HA       SER  17 -15.365  -1.337   1.832
  153   1HB   SER  17          HB1       SER  17 -16.143  -3.185   4.097
  154   2HB   SER  17          HB2       SER  17 -16.643  -1.503   3.920
  155    HG   SER  17           HG       SER  17 -18.109  -3.258   3.132
  156    H    VAL  18           HN       VAL  18 -13.263  -0.535   1.935
  157    HA   VAL  18           HA       VAL  18 -11.468  -1.068   4.057
  158    HB   VAL  18           HB       VAL  18 -10.186   0.823   3.257
  159   1HG1  VAL  18          HG21      VAL  18 -11.287  -0.426   0.771
  160   2HG1  VAL  18          HG22      VAL  18 -10.415  -1.402   1.952
  161   3HG1  VAL  18          HG23      VAL  18  -9.617  -0.033   1.179
  162   1HG2  VAL  18          HG11      VAL  18 -11.010   2.285   1.487
  163   2HG2  VAL  18          HG12      VAL  18 -12.040   2.386   2.915
  164   3HG2  VAL  18          HG13      VAL  18 -12.566   1.456   1.514
  165    H    GLU  19           HN       GLU  19 -14.228   0.944   3.779
  166    HA   GLU  19           HA       GLU  19 -13.781   3.030   5.510
  167   1HB   GLU  19          HB2       GLU  19 -16.274   2.700   6.095
  168   2HB   GLU  19          HB1       GLU  19 -15.854   3.015   4.417
  169   1HG   GLU  19          HG1       GLU  19 -16.783   1.114   3.771
  170   2HG   GLU  19          HG2       GLU  19 -15.805   0.192   4.917
  171    H    LYS  20           HN       LYS  20 -14.477  -0.333   6.241
  172    HA   LYS  20           HA       LYS  20 -14.805   0.059   9.054
  173   1HB   LYS  20          HB1       LYS  20 -13.979  -2.601   8.005
  174   2HB   LYS  20          HB2       LYS  20 -15.216  -2.194   9.186
  175   1HG   LYS  20          HG2       LYS  20 -16.555  -1.264   7.230
  176   2HG   LYS  20          HG1       LYS  20 -15.391  -2.090   6.194
  177   1HD   LYS  20          HD1       LYS  20 -16.384  -4.052   6.520
  178   2HD   LYS  20          HD2       LYS  20 -16.329  -3.848   8.274
  179   1HE   LYS  20          HE1       LYS  20 -18.312  -2.097   7.432
  180   2HE   LYS  20          HE2       LYS  20 -18.549  -3.536   6.441
  181   1HZ   LYS  20          HZ1       LYS  20 -18.229  -4.680   8.787
  182   2HZ   LYS  20          HZ2       LYS  20 -19.740  -4.143   8.249
  183   3HZ   LYS  20          HZ3       LYS  20 -18.840  -3.197   9.323
  184    H    TRP  21           HN       TRP  21 -12.099  -0.243   6.960
  185    HA   TRP  21           HA       TRP  21 -10.291  -1.136   9.038
  186   1HB   TRP  21          HB2       TRP  21  -9.422  -0.070   6.365
  187   2HB   TRP  21          HB1       TRP  21  -8.645  -1.286   7.371
  188    HD1  TRP  21           HD1      TRP  21 -11.996  -2.546   7.334
  189    HE1  TRP  21           HE1      TRP  21 -12.408  -4.199   5.414
  190    HE3  TRP  21           HE3      TRP  21  -7.917  -1.466   4.438
  191    HZ2  TRP  21           HZ2      TRP  21 -11.163  -4.966   2.999
  192    HZ3  TRP  21           HZ3      TRP  21  -7.599  -2.711   2.338
  193    HH2  TRP  21           HH2      TRP  21  -9.192  -4.423   1.635
  194    HA   PRO  22           HA       PRO  22  -9.013   2.768  10.673
  195   1HB   PRO  22          HB2       PRO  22  -6.239   2.409  10.461
  196   2HB   PRO  22          HB1       PRO  22  -7.238   1.978  11.848
  197   1HG   PRO  22          HG2       PRO  22  -6.211   0.270   9.646
  198   2HG   PRO  22          HG1       PRO  22  -6.478  -0.134  11.347
  199   1HD   PRO  22          HD1       PRO  22  -8.145  -0.983   9.422
  200   2HD   PRO  22          HD2       PRO  22  -8.744  -0.517  11.028
  201    H    ILE  23           HN       ILE  23  -7.133   4.474  10.101
  202    HA   ILE  23           HA       ILE  23  -6.884   4.673   7.189
  203    HB   ILE  23           HB       ILE  23  -7.902   6.928   8.922
  204   1HG1  ILE  23          HG11      ILE  23  -9.863   6.538   7.136
  205   2HG1  ILE  23          HG12      ILE  23  -9.246   4.890   7.218
  206   1HG2  ILE  23          HG21      ILE  23  -6.690   7.953   7.227
  207   2HG2  ILE  23          HG22      ILE  23  -8.329   7.915   6.577
  208   3HG2  ILE  23          HG23      ILE  23  -7.138   6.733   6.034
  209   1HD1  ILE  23          HD11      ILE  23 -10.980   6.239   9.013
  210   2HD1  ILE  23          HD12      ILE  23  -9.496   5.816   9.869
  211   3HD1  ILE  23          HD13      ILE  23 -10.429   4.564   9.049
  212    H    TRP  24           HN       TRP  24  -5.151   5.891   6.451
  213    HA   TRP  24           HA       TRP  24  -3.243   6.772   8.515
  214   1HB   TRP  24          HB1       TRP  24  -2.826   4.603   6.957
  215   2HB   TRP  24          HB2       TRP  24  -2.173   5.854   5.904
  216    HD1  TRP  24           HD1      TRP  24  -1.809   5.265   9.735
  217    HE1  TRP  24           HE1      TRP  24   0.698   5.371  10.305
  218    HE3  TRP  24           HE3      TRP  24   0.065   6.030   5.038
  219    HZ2  TRP  24           HZ2      TRP  24   3.146   5.730   8.946
  220    HZ3  TRP  24           HZ3      TRP  24   2.500   6.244   4.760
  221    HH2  TRP  24           HH2      TRP  24   4.007   6.097   6.676
  222    H    GLU  25           HN       GLU  25  -1.902   8.541   7.978
  223    HA   GLU  25           HA       GLU  25  -2.611  10.025   5.548
  224   1HB   GLU  25          HB1       GLU  25  -2.325  12.114   7.164
  225   2HB   GLU  25          HB2       GLU  25  -3.881  11.329   6.939
  226   1HG   GLU  25          HG1       GLU  25  -3.655  10.136   8.994
  227   2HG   GLU  25          HG2       GLU  25  -1.989  10.682   9.185
  228    H    LYS  26           HN       LYS  26  -0.838  10.731   4.486
  229    HA   LYS  26           HA       LYS  26   1.600  11.258   5.985
  230   1HB   LYS  26          HB1       LYS  26   1.491   8.793   5.345
  231   2HB   LYS  26          HB2       LYS  26   1.671   9.324   3.678
  232   1HG   LYS  26          HG2       LYS  26   3.785   8.602   4.758
  233   2HG   LYS  26          HG1       LYS  26   3.822  10.251   4.127
  234   1HD   LYS  26          HD2       LYS  26   2.910  10.170   6.878
  235   2HD   LYS  26          HD1       LYS  26   4.504   9.440   6.694
  236   1HE   LYS  26          HE2       LYS  26   5.461  11.399   5.921
  237   2HE   LYS  26          HE1       LYS  26   3.919  12.060   5.388
  238   1HZ   LYS  26          HZ1       LYS  26   4.046  11.602   8.222
  239   2HZ   LYS  26          HZ2       LYS  26   3.550  12.976   7.371
  240   3HZ   LYS  26          HZ3       LYS  26   5.193  12.720   7.678
  241    H    GLU  27           HN       GLU  27   2.311  13.125   5.335
  242    HA   GLU  27           HA       GLU  27   1.707  14.272   2.787
  243   1HB   GLU  27          HB1       GLU  27   2.957  16.174   3.523
  244   2HB   GLU  27          HB2       GLU  27   2.063  15.579   4.917
  245   1HG   GLU  27          HG1       GLU  27   3.950  15.488   6.057
  246   2HG   GLU  27          HG2       GLU  27   4.553  14.269   4.936
  247    H    VAL  28           HN       VAL  28   3.427  15.064   1.314
  248    HA   VAL  28           HA       VAL  28   4.805  13.034   0.079
  249    HB   VAL  28           HB       VAL  28   5.515  15.961   0.017
  250   1HG1  VAL  28          HG11      VAL  28   6.669  13.686  -1.294
  251   2HG1  VAL  28          HG12      VAL  28   7.146  15.381  -1.373
  252   3HG1  VAL  28          HG13      VAL  28   5.928  14.755  -2.483
  253   1HG2  VAL  28          HG21      VAL  28   4.081  15.823  -2.109
  254   2HG2  VAL  28          HG22      VAL  28   3.256  15.864  -0.551
  255   3HG2  VAL  28          HG23      VAL  28   3.441  14.336  -1.409
  256    H    SER  29           HN       SER  29   5.734  12.241   2.367
  257    HA   SER  29           HA       SER  29   8.421  13.319   2.814
  258   1HB   SER  29          HB1       SER  29   6.752  12.811   4.715
  259   2HB   SER  29          HB2       SER  29   7.123  11.116   4.407
  260    HG   SER  29           HG       SER  29   8.585  11.692   5.900
  261    H    GLU  30           HN       GLU  30   9.501  10.889   3.866
  262    HA   GLU  30           HA       GLU  30   9.380   8.860   1.822
  263   1HB   GLU  30          HB1       GLU  30  11.729  10.689   2.113
  264   2HB   GLU  30          HB2       GLU  30  12.024   8.996   1.745
  265   1HG   GLU  30          HG1       GLU  30  11.468   9.274  -0.381
  266   2HG   GLU  30          HG2       GLU  30   9.969  10.099   0.045
  267    H    PHE  31           HN       PHE  31   9.470   6.966   2.870
  268    HA   PHE  31           HA       PHE  31  10.913   6.876   5.436
  269   1HB   PHE  31          HB1       PHE  31   8.271   5.560   4.786
  270   2HB   PHE  31          HB2       PHE  31   9.139   5.419   6.312
  271    HD1  PHE  31           HD1      PHE  31   9.188   7.239   7.886
  272    HD2  PHE  31           HD2      PHE  31   7.119   7.596   4.185
  273    HE1  PHE  31           HE1      PHE  31   8.033   9.239   8.730
  274    HE2  PHE  31           HE2      PHE  31   5.959   9.598   5.022
  275    HZ   PHE  31           HZ       PHE  31   6.407  10.418   7.286
  276    H    ASP  32           HN       ASP  32  11.855   4.941   6.058
  277    HA   ASP  32           HA       ASP  32  12.435   3.073   3.887
  278   1HB   ASP  32          HB1       ASP  32  14.325   3.897   5.236
  279   2HB   ASP  32          HB2       ASP  32  13.574   3.240   6.688
  280    H    TRP  33           HN       TRP  33  11.210   1.312   3.666
  281    HA   TRP  33           HA       TRP  33   9.683   0.404   6.009
  282   1HB   TRP  33          HB1       TRP  33   8.478   1.359   3.975
  283   2HB   TRP  33          HB2       TRP  33   8.975  -0.097   3.120
  284    HD1  TRP  33           HD1      TRP  33   7.561   0.117   6.724
  285    HE1  TRP  33           HE1      TRP  33   5.440  -1.337   6.824
  286    HE3  TRP  33           HE3      TRP  33   7.282  -1.251   1.809
  287    HZ2  TRP  33           HZ2      TRP  33   3.856  -2.864   5.049
  288    HZ3  TRP  33           HZ3      TRP  33   5.436  -2.708   1.089
  289    HH2  TRP  33           HH2      TRP  33   3.758  -3.495   2.676
  290    H    TYR  34           HN       TYR  34   9.867  -1.592   6.731
  291    HA   TYR  34           HA       TYR  34  11.174  -3.614   5.040
  292   1HB   TYR  34          HB2       TYR  34  12.807  -2.970   6.696
  293   2HB   TYR  34          HB1       TYR  34  11.619  -3.094   7.988
  294    HD1  TYR  34           HD1      TYR  34  12.677  -5.366   5.209
  295    HD2  TYR  34           HD2      TYR  34  12.099  -4.853   9.393
  296    HE1  TYR  34           HE1      TYR  34  13.337  -7.706   5.581
  297    HE2  TYR  34           HE2      TYR  34  12.758  -7.190   9.777
  298    HH   TYR  34           HH       TYR  34  13.153  -9.439   7.180
  299    H    TYR  35           HN       TYR  35   9.704  -5.109   4.579
  300    HA   TYR  35           HA       TYR  35   7.295  -5.394   6.043
  301   1HB   TYR  35          HB2       TYR  35   8.036  -5.986   3.512
  302   2HB   TYR  35          HB1       TYR  35   8.089  -7.592   4.231
  303    HD1  TYR  35           HD1      TYR  35   5.834  -4.612   4.323
  304    HD2  TYR  35           HD2      TYR  35   6.181  -8.835   3.989
  305    HE1  TYR  35           HE1      TYR  35   3.395  -4.788   4.087
  306    HE2  TYR  35           HE2      TYR  35   3.746  -9.023   3.754
  307    HH   TYR  35           HH       TYR  35   1.640  -6.763   4.598
  308    H    ASP  36           HN       ASP  36   6.646  -6.848   7.518
  309    HA   ASP  36           HA       ASP  36   8.268  -9.174   8.133
  310   1HB   ASP  36          HB1       ASP  36   8.940  -6.989   9.511
  311   2HB   ASP  36          HB2       ASP  36   7.566  -7.493  10.492
  312    H    THR  37           HN       THR  37   5.490  -8.389   7.204
  313    HA   THR  37           HA       THR  37   4.073 -10.415   8.608
  314    HB   THR  37           HB       THR  37   2.764  -7.745   8.930
  315    HG1  THR  37           HG1      THR  37   4.620  -8.812  10.788
  316   1HG2  THR  37          HG21      THR  37   2.398  -9.246  11.213
  317   2HG2  THR  37          HG22      THR  37   2.343 -10.429   9.907
  318   3HG2  THR  37          HG23      THR  37   1.252  -9.043   9.886
  319    H    ASN  38           HN       ASN  38   2.470 -11.206   7.349
  320    HA   ASN  38           HA       ASN  38   2.164 -10.204   4.700
  321   1HB   ASN  38          HB1       ASN  38   0.650 -12.330   6.230
  322   2HB   ASN  38          HB2       ASN  38   0.404 -11.987   4.520
  323   1HD2  ASN  38          HD21      ASN  38   2.705 -11.787   3.383
  324   2HD2  ASN  38          HD22      ASN  38   3.716 -13.163   3.643
  325    H    GLU  39           HN       GLU  39   1.290  -8.175   4.642
  326    HA   GLU  39           HA       GLU  39  -1.487  -7.958   5.577
  327   1HB   GLU  39          HB1       GLU  39  -1.153  -5.920   6.616
  328   2HB   GLU  39          HB2       GLU  39   0.307  -6.793   7.034
  329   1HG   GLU  39          HG2       GLU  39   0.831  -5.413   4.629
  330   2HG   GLU  39          HG1       GLU  39   0.022  -4.288   5.713
  331    H    THR  40           HN       THR  40  -2.688  -6.132   4.576
  332    HA   THR  40           HA       THR  40  -1.725  -5.443   1.892
  333    HB   THR  40           HB       THR  40  -4.457  -6.573   2.531
  334    HG1  THR  40           HG1      THR  40  -3.778  -8.227   1.119
  335   1HG2  THR  40          HG21      THR  40  -3.821  -6.333  -0.270
  336   2HG2  THR  40          HG22      THR  40  -3.872  -4.761   0.529
  337   3HG2  THR  40          HG23      THR  40  -5.266  -5.838   0.611
  338    H    CYS  41           HN       CYS  41  -2.217  -3.388   1.244
  339    HA   CYS  41           HA       CYS  41  -4.018  -1.831   2.979
  340   1HB   CYS  41          HB2       CYS  41  -2.345   0.114   2.265
  341   2HB   CYS  41          HB1       CYS  41  -2.077  -0.871   3.699
  342    HG   CYS  41           HG       CYS  41   0.122  -1.300   2.713
  343    H    TYR  42           HN       TYR  42  -4.900   0.113   1.970
  344    HA   TYR  42           HA       TYR  42  -5.000  -0.014  -0.965
  345   1HB   TYR  42          HB1       TYR  42  -7.013  -1.071  -0.487
  346   2HB   TYR  42          HB2       TYR  42  -7.260  -0.162   0.996
  347    HD1  TYR  42           HD1      TYR  42  -8.364   1.993   0.972
  348    HD2  TYR  42           HD2      TYR  42  -7.648  -0.124  -2.648
  349    HE1  TYR  42           HE1      TYR  42  -9.917   3.492  -0.206
  350    HE2  TYR  42           HE2      TYR  42  -9.195   1.367  -3.836
  351    HH   TYR  42           HH       TYR  42 -11.194   2.837  -3.197
  352    H    ILE  43           HN       ILE  43  -4.629   1.906  -1.891
  353    HA   ILE  43           HA       ILE  43  -4.230   4.245  -0.305
  354    HB   ILE  43           HB       ILE  43  -4.268   3.888  -3.305
  355   1HG1  ILE  43          HG12      ILE  43  -1.722   4.617  -2.323
  356   2HG1  ILE  43          HG11      ILE  43  -2.320   3.351  -1.253
  357   1HG2  ILE  43          HG21      ILE  43  -4.786   6.174  -2.914
  358   2HG2  ILE  43          HG22      ILE  43  -3.074   6.099  -3.327
  359   3HG2  ILE  43          HG23      ILE  43  -3.567   6.301  -1.645
  360   1HD1  ILE  43          HD11      ILE  43  -2.806   2.019  -3.342
  361   2HD1  ILE  43          HD12      ILE  43  -1.109   2.269  -2.937
  362   3HD1  ILE  43          HD13      ILE  43  -1.863   3.228  -4.211
  363    H    LEU  44           HN       LEU  44  -5.322   6.243  -0.475
  364    HA   LEU  44           HA       LEU  44  -8.112   6.044  -1.400
  365   1HB   LEU  44          HB2       LEU  44  -7.799   6.062   1.095
  366   2HB   LEU  44          HB1       LEU  44  -7.129   7.674   0.938
  367    HG   LEU  44           HG       LEU  44  -9.276   8.459  -0.003
  368   1HD1  LEU  44          HD21      LEU  44 -10.750   7.010  -0.799
  369   2HD1  LEU  44          HD22      LEU  44 -10.995   6.378   0.829
  370   3HD1  LEU  44          HD23      LEU  44  -9.770   5.664  -0.218
  371   1HD2  LEU  44          HD11      LEU  44  -9.890   8.977   2.065
  372   2HD2  LEU  44          HD12      LEU  44  -8.669   7.844   2.646
  373   3HD2  LEU  44          HD13      LEU  44 -10.333   7.306   2.416
  374    H    GLU  45           HN       GLU  45  -5.280   8.088  -0.996
  375    HA   GLU  45           HA       GLU  45  -5.828   9.585  -3.327
  376   1HB   GLU  45          HB2       GLU  45  -6.131  11.808  -2.213
  377   2HB   GLU  45          HB1       GLU  45  -7.500  10.718  -2.032
  378   1HG   GLU  45          HG2       GLU  45  -6.599  10.104   0.218
  379   2HG   GLU  45          HG1       GLU  45  -5.413  11.393   0.023
  380    H    GLY  46           HN       GLY  46  -3.762   9.457  -3.985
  381   1HA   GLY  46          HA2       GLY  46  -1.747  11.097  -3.392
  382   2HA   GLY  46          HA1       GLY  46  -1.589   9.911  -2.104
  383    H    LYS  47           HN       LYS  47   0.585   9.750  -3.323
  384    HA   LYS  47           HA       LYS  47   0.372   7.400  -4.991
  385   1HB   LYS  47          HB1       LYS  47   0.434   9.729  -6.340
  386   2HB   LYS  47          HB2       LYS  47   2.161   9.439  -6.163
  387   1HG   LYS  47          HG2       LYS  47   0.284   7.347  -7.199
  388   2HG   LYS  47          HG1       LYS  47   1.049   8.533  -8.258
  389   1HD   LYS  47          HD1       LYS  47   2.739   6.971  -6.367
  390   2HD   LYS  47          HD2       LYS  47   2.165   6.193  -7.842
  391   1HE   LYS  47          HE2       LYS  47   3.922   8.611  -7.556
  392   2HE   LYS  47          HE1       LYS  47   4.279   7.090  -8.372
  393   1HZ   LYS  47          HZ1       LYS  47   3.737   8.284 -10.184
  394   2HZ   LYS  47          HZ2       LYS  47   2.799   9.401  -9.326
  395   3HZ   LYS  47          HZ3       LYS  47   2.151   7.896  -9.746
  396    H    VAL  48           HN       VAL  48   1.856   6.004  -4.492
  397    HA   VAL  48           HA       VAL  48   4.385   6.944  -3.312
  398    HB   VAL  48           HB       VAL  48   2.610   4.679  -2.424
  399   1HG1  VAL  48          HG21      VAL  48   5.507   5.061  -1.652
  400   2HG1  VAL  48          HG22      VAL  48   4.868   3.743  -2.637
  401   3HG1  VAL  48          HG23      VAL  48   4.391   3.892  -0.946
  402   1HG2  VAL  48          HG11      VAL  48   4.014   6.721  -0.741
  403   2HG2  VAL  48          HG12      VAL  48   2.605   5.740  -0.339
  404   3HG2  VAL  48          HG13      VAL  48   2.461   7.054  -1.508
  405    H    GLU  49           HN       GLU  49   6.200   6.117  -4.163
  406    HA   GLU  49           HA       GLU  49   5.911   4.007  -6.195
  407   1HB   GLU  49          HB2       GLU  49   8.035   6.145  -5.940
  408   2HB   GLU  49          HB1       GLU  49   8.005   4.891  -7.173
  409   1HG   GLU  49          HG1       GLU  49   5.825   5.785  -7.952
  410   2HG   GLU  49          HG2       GLU  49   6.000   7.102  -6.794
  411    H    VAL  50           HN       VAL  50   6.554   2.091  -5.500
  412    HA   VAL  50           HA       VAL  50   8.481   1.947  -3.310
  413    HB   VAL  50           HB       VAL  50   6.604  -0.134  -4.445
  414   1HG1  VAL  50          HG11      VAL  50   8.527  -1.288  -3.615
  415   2HG1  VAL  50          HG12      VAL  50   7.236  -1.459  -2.424
  416   3HG1  VAL  50          HG13      VAL  50   8.546  -0.311  -2.145
  417   1HG2  VAL  50          HG21      VAL  50   5.351   0.152  -2.411
  418   2HG2  VAL  50          HG22      VAL  50   5.558   1.723  -3.184
  419   3HG2  VAL  50          HG23      VAL  50   6.546   1.290  -1.789
  420    H    THR  51           HN       THR  51  10.408   0.970  -3.426
  421    HA   THR  51           HA       THR  51  11.134  -0.445  -5.898
  422    HB   THR  51           HB       THR  51  13.172   1.182  -4.412
  423    HG1  THR  51           HG1      THR  51  11.196   2.123  -6.159
  424   1HG2  THR  51          HG21      THR  51  13.790   1.423  -7.003
  425   2HG2  THR  51          HG22      THR  51  12.992  -0.149  -7.027
  426   3HG2  THR  51          HG23      THR  51  14.381   0.118  -5.973
  427    H    THR  52           HN       THR  52  11.510  -2.498  -5.364
  428    HA   THR  52           HA       THR  52  12.167  -3.215  -2.650
  429    HB   THR  52           HB       THR  52  11.895  -5.508  -3.382
  430    HG1  THR  52           HG1      THR  52  12.411  -5.992  -5.340
  431   1HG2  THR  52          HG21      THR  52   9.746  -4.476  -5.037
  432   2HG2  THR  52          HG22      THR  52   9.873  -3.671  -3.473
  433   3HG2  THR  52          HG23      THR  52   9.686  -5.424  -3.550
  434    H    GLU  53           HN       GLU  53  13.901  -4.732  -2.136
  435    HA   GLU  53           HA       GLU  53  16.414  -3.769  -3.046
  436   1HB   GLU  53          HB1       GLU  53  16.149  -4.539  -0.765
  437   2HB   GLU  53          HB2       GLU  53  15.681  -6.140  -1.318
  438   1HG   GLU  53          HG2       GLU  53  17.863  -6.479  -0.724
  439   2HG   GLU  53          HG1       GLU  53  18.022  -6.138  -2.447
  440    H    ASP  54           HN       ASP  54  14.513  -6.666  -3.687
  441    HA   ASP  54           HA       ASP  54  16.425  -8.161  -5.065
  442   1HB   ASP  54          HB2       ASP  54  13.843  -8.575  -4.369
  443   2HB   ASP  54          HB1       ASP  54  13.651  -8.278  -6.094
  444    H    GLY  55           HN       GLY  55  14.461  -5.451  -6.077
  445   1HA   GLY  55          HA2       GLY  55  15.495  -4.082  -7.862
  446   2HA   GLY  55          HA1       GLY  55  15.758  -5.585  -8.729
  447    H    LYS  56           HN       LYS  56  12.834  -4.754  -6.961
  448    HA   LYS  56           HA       LYS  56  11.380  -4.782  -9.520
  449   1HB   LYS  56          HB1       LYS  56  10.232  -5.311  -6.775
  450   2HB   LYS  56          HB2       LYS  56   9.436  -5.549  -8.325
  451   1HG   LYS  56          HG1       LYS  56  11.935  -7.040  -7.612
  452   2HG   LYS  56          HG2       LYS  56  10.341  -7.603  -7.102
  453   1HD   LYS  56          HD1       LYS  56  10.825  -6.911  -9.969
  454   2HD   LYS  56          HD2       LYS  56  11.374  -8.465  -9.337
  455   1HE   LYS  56          HE1       LYS  56   9.271  -9.265  -9.095
  456   2HE   LYS  56          HE2       LYS  56   8.606  -7.689  -8.671
  457   1HZ   LYS  56          HZ1       LYS  56   8.323  -8.959 -11.065
  458   2HZ   LYS  56          HZ2       LYS  56   9.510  -7.797 -11.382
  459   3HZ   LYS  56          HZ3       LYS  56   8.008  -7.324 -10.767
  460    H    LYS  57           HN       LYS  57   9.094  -3.591  -9.057
  461    HA   LYS  57           HA       LYS  57   9.410  -1.178  -7.521
  462   1HB   LYS  57          HB1       LYS  57  10.623  -0.735  -9.677
  463   2HB   LYS  57          HB2       LYS  57   9.088  -0.935 -10.511
  464   1HG   LYS  57          HG1       LYS  57   9.096   1.321 -10.294
  465   2HG   LYS  57          HG2       LYS  57   8.318   0.898  -8.767
  466   1HD   LYS  57          HD2       LYS  57  10.088   2.568  -8.456
  467   2HD   LYS  57          HD1       LYS  57  10.449   1.062  -7.609
  468   1HE   LYS  57          HE2       LYS  57  12.328   0.772  -8.766
  469   2HE   LYS  57          HE1       LYS  57  11.493   1.020 -10.299
  470   1HZ   LYS  57          HZ1       LYS  57  11.825   3.333 -10.166
  471   2HZ   LYS  57          HZ2       LYS  57  13.315   2.641  -9.759
  472   3HZ   LYS  57          HZ3       LYS  57  12.312   3.265  -8.547
  473    H    TYR  58           HN       TYR  58   7.489  -0.322  -6.922
  474    HA   TYR  58           HA       TYR  58   5.078  -1.255  -8.318
  475   1HB   TYR  58          HB2       TYR  58   5.024  -0.910  -5.345
  476   2HB   TYR  58          HB1       TYR  58   3.996  -1.904  -6.371
  477    HD1  TYR  58           HD1      TYR  58   5.760  -3.595  -7.838
  478    HD2  TYR  58           HD2      TYR  58   6.123  -2.238  -3.822
  479    HE1  TYR  58           HE1      TYR  58   7.122  -5.571  -7.302
  480    HE2  TYR  58           HE2      TYR  58   7.487  -4.212  -3.274
  481    HH   TYR  58           HH       TYR  58   8.172  -6.718  -5.697
  482    H    VAL  59           HN       VAL  59   4.168   0.485  -9.159
  483    HA   VAL  59           HA       VAL  59   4.162   2.978  -7.590
  484    HB   VAL  59           HB       VAL  59   5.278   3.266  -9.726
  485   1HG1  VAL  59          HG21      VAL  59   3.071   2.970 -11.527
  486   2HG1  VAL  59          HG22      VAL  59   3.334   1.459 -10.654
  487   3HG1  VAL  59          HG23      VAL  59   4.654   2.192 -11.566
  488   1HG2  VAL  59          HG11      VAL  59   2.800   4.615 -10.461
  489   2HG2  VAL  59          HG12      VAL  59   4.375   5.286 -10.034
  490   3HG2  VAL  59          HG13      VAL  59   3.237   4.830  -8.766
  491    H    ILE  60           HN       ILE  60   2.281   3.327  -6.598
  492    HA   ILE  60           HA       ILE  60  -0.183   2.542  -8.000
  493    HB   ILE  60           HB       ILE  60  -1.162   2.154  -5.682
  494   1HG1  ILE  60          HG12      ILE  60   0.380   1.534  -3.919
  495   2HG1  ILE  60          HG11      ILE  60   1.764   1.857  -4.950
  496   1HG2  ILE  60          HG21      ILE  60  -0.678  -0.108  -5.819
  497   2HG2  ILE  60          HG22      ILE  60   0.991   0.176  -6.321
  498   3HG2  ILE  60          HG23      ILE  60  -0.334   0.455  -7.455
  499   1HD1  ILE  60          HD11      ILE  60   0.962   3.549  -3.115
  500   2HD1  ILE  60          HD12      ILE  60  -0.130   4.068  -4.397
  501   3HD1  ILE  60          HD13      ILE  60   1.613   4.100  -4.658
  502    H    GLU  61           HN       GLU  61  -1.961   3.881  -7.809
  503    HA   GLU  61           HA       GLU  61  -1.666   6.284  -6.226
  504   1HB   GLU  61          HB2       GLU  61  -0.806   6.600  -8.672
  505   2HB   GLU  61          HB1       GLU  61  -2.513   6.617  -9.090
  506   1HG   GLU  61          HG1       GLU  61  -2.911   8.568  -7.862
  507   2HG   GLU  61          HG2       GLU  61  -1.390   8.425  -6.982
  508    H    LYS  62           HN       LYS  62  -3.504   7.050  -5.418
  509    HA   LYS  62           HA       LYS  62  -5.654   6.777  -4.608
  510   1HB   LYS  62          HB2       LYS  62  -5.380   8.520  -6.549
  511   2HB   LYS  62          HB1       LYS  62  -6.432   7.413  -7.419
  512   1HG   LYS  62          HG2       LYS  62  -7.016   9.011  -4.957
  513   2HG   LYS  62          HG1       LYS  62  -7.877   8.987  -6.497
  514   1HD   LYS  62          HD1       LYS  62  -8.619   6.689  -6.031
  515   2HD   LYS  62          HD2       LYS  62  -7.778   6.744  -4.482
  516   1HE   LYS  62          HE1       LYS  62  -9.728   7.446  -3.660
  517   2HE   LYS  62          HE2       LYS  62  -9.285   9.000  -4.364
  518   1HZ   LYS  62          HZ1       LYS  62 -10.784   8.780  -6.026
  519   2HZ   LYS  62          HZ2       LYS  62 -11.573   7.803  -4.892
  520   3HZ   LYS  62          HZ3       LYS  62 -10.637   7.097  -6.111
  521    H    GLY  63           HN       GLY  63  -6.597   4.939  -4.065
  522   1HA   GLY  63          HA2       GLY  63  -8.119   3.220  -4.229
  523   2HA   GLY  63          HA1       GLY  63  -8.431   3.728  -5.880
  524    H    ASP  64           HN       ASP  64  -5.586   2.422  -4.197
  525    HA   ASP  64           HA       ASP  64  -5.658   0.106  -5.992
  526   1HB   ASP  64          HB1       ASP  64  -4.092   1.996  -6.815
  527   2HB   ASP  64          HB2       ASP  64  -3.056   1.524  -5.471
  528    H    LEU  65           HN       LEU  65  -4.770  -1.775  -5.160
  529    HA   LEU  65           HA       LEU  65  -3.715  -1.614  -2.427
  530   1HB   LEU  65          HB1       LEU  65  -4.929  -4.062  -2.452
  531   2HB   LEU  65          HB2       LEU  65  -5.544  -2.625  -1.668
  532    HG   LEU  65           HG       LEU  65  -6.829  -2.146  -3.785
  533   1HD1  LEU  65          HD11      LEU  65  -5.866  -3.345  -5.497
  534   2HD1  LEU  65          HD12      LEU  65  -7.218  -4.392  -5.073
  535   3HD1  LEU  65          HD13      LEU  65  -5.596  -4.769  -4.493
  536   1HD2  LEU  65          HD21      LEU  65  -8.196  -4.475  -3.244
  537   2HD2  LEU  65          HD22      LEU  65  -8.362  -2.953  -2.370
  538   3HD2  LEU  65          HD23      LEU  65  -7.272  -4.199  -1.768
  539    H    VAL  66           HN       VAL  66  -1.945  -2.806  -2.037
  540    HA   VAL  66           HA       VAL  66  -1.096  -4.739  -4.088
  541    HB   VAL  66           HB       VAL  66   0.672  -2.745  -2.665
  542   1HG1  VAL  66          HG21      VAL  66   1.254  -5.086  -4.427
  543   2HG1  VAL  66          HG22      VAL  66   2.063  -4.563  -2.950
  544   3HG1  VAL  66          HG23      VAL  66   2.318  -3.679  -4.454
  545   1HG2  VAL  66          HG11      VAL  66  -0.392  -2.908  -5.465
  546   2HG2  VAL  66          HG12      VAL  66   1.066  -1.995  -5.070
  547   3HG2  VAL  66          HG13      VAL  66  -0.475  -1.561  -4.329
  548    H    THR  67           HN       THR  67   0.199  -6.466  -3.383
  549    HA   THR  67           HA       THR  67   0.032  -6.983  -0.488
  550    HB   THR  67           HB       THR  67   0.129  -8.920  -2.812
  551    HG1  THR  67           HG1      THR  67  -1.980  -9.459  -1.895
  552   1HG2  THR  67          HG21      THR  67  -0.070  -9.504   0.131
  553   2HG2  THR  67          HG22      THR  67   1.279  -9.905  -0.932
  554   3HG2  THR  67          HG23      THR  67  -0.290 -10.676  -1.167
  555    H    PHE  68           HN       PHE  68   1.806  -8.125   0.502
  556    HA   PHE  68           HA       PHE  68   4.294  -8.214  -1.005
  557   1HB   PHE  68          HB2       PHE  68   4.327  -6.847   1.667
  558   2HB   PHE  68          HB1       PHE  68   5.533  -6.799   0.389
  559    HD1  PHE  68           HD1      PHE  68   2.300  -5.496   1.521
  560    HD2  PHE  68           HD2      PHE  68   5.341  -5.271  -1.447
  561    HE1  PHE  68           HE1      PHE  68   1.333  -3.390   0.697
  562    HE2  PHE  68           HE2      PHE  68   4.379  -3.164  -2.278
  563    HZ   PHE  68           HZ       PHE  68   2.371  -2.226  -1.218
  564    HA   PRO  69           HA       PRO  69   4.775 -11.726   1.644
  565   1HB   PRO  69          HB1       PRO  69   7.291 -12.431   0.902
  566   2HB   PRO  69          HB2       PRO  69   5.874 -12.666  -0.124
  567   1HG   PRO  69          HG1       PRO  69   8.087 -10.789  -0.433
  568   2HG   PRO  69          HG2       PRO  69   6.855 -11.278  -1.602
  569   1HD   PRO  69          HD2       PRO  69   6.974  -8.877   0.010
  570   2HD   PRO  69          HD1       PRO  69   5.849  -9.285  -1.300
  571    H    LYS  70           HN       LYS  70   5.245 -11.963   3.705
  572    HA   LYS  70           HA       LYS  70   6.462 -10.192   5.363
  573   1HB   LYS  70          HB1       LYS  70   5.184 -12.073   6.201
  574   2HB   LYS  70          HB2       LYS  70   6.402 -13.203   5.624
  575   1HG   LYS  70          HG1       LYS  70   7.963 -12.499   7.253
  576   2HG   LYS  70          HG2       LYS  70   6.980 -11.098   7.687
  577   1HD   LYS  70          HD1       LYS  70   5.363 -12.425   8.754
  578   2HD   LYS  70          HD2       LYS  70   5.957 -13.904   7.997
  579   1HE   LYS  70          HE2       LYS  70   7.212 -14.277   9.787
  580   2HE   LYS  70          HE1       LYS  70   8.120 -12.811   9.422
  581   1HZ   LYS  70          HZ1       LYS  70   7.282 -12.691  11.647
  582   2HZ   LYS  70          HZ2       LYS  70   5.703 -13.014  11.134
  583   3HZ   LYS  70          HZ3       LYS  70   6.450 -11.558  10.704
  584    H    GLY  71           HN       GLY  71   8.404  -9.291   5.112
  585   1HA   GLY  71          HA2       GLY  71  10.785  -9.836   5.752
  586   2HA   GLY  71          HA1       GLY  71  10.691 -11.053   4.488
  587    H    LEU  72           HN       LEU  72   9.072  -9.255   2.776
  588    HA   LEU  72           HA       LEU  72  10.992  -8.235   1.107
  589   1HB   LEU  72          HB2       LEU  72   8.904  -8.333   0.153
  590   2HB   LEU  72          HB1       LEU  72   8.104  -7.677   1.560
  591    HG   LEU  72           HG       LEU  72   8.552  -5.458   0.935
  592   1HD1  LEU  72          HD11      LEU  72  10.862  -6.617  -0.364
  593   2HD1  LEU  72          HD12      LEU  72  10.580  -4.955   0.155
  594   3HD1  LEU  72          HD13      LEU  72  10.022  -5.492  -1.430
  595   1HD2  LEU  72          HD21      LEU  72   8.229  -6.335  -1.838
  596   2HD2  LEU  72          HD22      LEU  72   7.183  -5.336  -0.828
  597   3HD2  LEU  72          HD23      LEU  72   7.119  -7.092  -0.697
  598    H    ARG  73           HN       ARG  73  12.268  -6.473   1.031
  599    HA   ARG  73           HA       ARG  73  11.798  -4.350   3.021
  600   1HB   ARG  73          HB1       ARG  73  13.778  -5.866   3.503
  601   2HB   ARG  73          HB2       ARG  73  14.523  -5.214   2.050
  602   1HG   ARG  73          HG1       ARG  73  13.868  -2.930   3.335
  603   2HG   ARG  73          HG2       ARG  73  14.172  -4.004   4.702
  604   1HD   ARG  73          HD1       ARG  73  16.219  -4.446   2.802
  605   2HD   ARG  73          HD2       ARG  73  16.049  -2.702   2.996
  606    HE   ARG  73           HE       ARG  73  17.021  -4.584   4.949
  607   1HH1  ARG  73          HH11      ARG  73  15.638  -1.432   4.418
  608   2HH1  ARG  73          HH12      ARG  73  16.244  -0.774   5.902
  609   1HH2  ARG  73          HH22      ARG  73  17.822  -3.729   6.904
  610   2HH2  ARG  73          HH21      ARG  73  17.485  -2.080   7.315
  611    H    CYS  74           HN       CYS  74  11.252  -2.524   2.027
  612    HA   CYS  74           HA       CYS  74  12.758  -1.664  -0.318
  613   1HB   CYS  74          HB2       CYS  74  10.705  -1.126  -1.572
  614   2HB   CYS  74          HB1       CYS  74  10.849  -2.854  -1.266
  615    HG   CYS  74           HG       CYS  74   9.079  -2.364   0.758
  616    H    ARG  75           HN       ARG  75  12.415   0.596  -0.860
  617    HA   ARG  75           HA       ARG  75  11.889   2.190   1.538
  618   1HB   ARG  75          HB2       ARG  75  14.021   2.639   0.563
  619   2HB   ARG  75          HB1       ARG  75  13.335   2.763  -1.051
  620   1HG   ARG  75          HG2       ARG  75  13.929   4.950  -0.200
  621   2HG   ARG  75          HG1       ARG  75  12.182   4.819  -0.404
  622   1HD   ARG  75          HD2       ARG  75  11.962   5.491   1.701
  623   2HD   ARG  75          HD1       ARG  75  12.672   3.957   2.196
  624    HE   ARG  75           HE       ARG  75  14.495   5.127   2.879
  625   1HH1  ARG  75          HH11      ARG  75  12.900   6.953   0.381
  626   2HH1  ARG  75          HH12      ARG  75  13.991   8.294   0.484
  627   1HH2  ARG  75          HH21      ARG  75  15.940   6.888   3.023
  628   2HH2  ARG  75          HH22      ARG  75  15.719   8.257   1.985
  629    H    TRP  76           HN       TRP  76  10.086   3.351   1.748
  630    HA   TRP  76           HA       TRP  76   8.327   3.621  -0.574
  631   1HB   TRP  76          HB2       TRP  76   7.917   3.617   2.382
  632   2HB   TRP  76          HB1       TRP  76   6.761   4.488   1.378
  633    HD1  TRP  76           HD1      TRP  76   8.387   1.180   0.308
  634    HE1  TRP  76           HE1      TRP  76   6.541  -0.588   0.064
  635    HE3  TRP  76           HE3      TRP  76   4.434   3.879   2.104
  636    HZ2  TRP  76           HZ2      TRP  76   3.772  -0.816   0.562
  637    HZ3  TRP  76           HZ3      TRP  76   2.219   2.810   2.187
  638    HH2  TRP  76           HH2      TRP  76   1.897   0.511   1.432
  639    H    LYS  77           HN       LYS  77   7.587   5.557  -1.323
  640    HA   LYS  77           HA       LYS  77   8.409   8.012   0.021
  641   1HB   LYS  77          HB1       LYS  77   8.904   8.273  -2.824
  642   2HB   LYS  77          HB2       LYS  77   9.948   8.676  -1.471
  643   1HG   LYS  77          HG2       LYS  77  10.991   6.608  -1.491
  644   2HG   LYS  77          HG1       LYS  77   9.668   5.836  -2.366
  645   1HD   LYS  77          HD1       LYS  77  10.633   7.917  -4.009
  646   2HD   LYS  77          HD2       LYS  77  12.045   7.052  -3.397
  647   1HE   LYS  77          HE1       LYS  77  10.544   4.954  -4.043
  648   2HE   LYS  77          HE2       LYS  77   9.865   6.119  -5.178
  649   1HZ   LYS  77          HZ1       LYS  77  11.944   6.430  -6.192
  650   2HZ   LYS  77          HZ2       LYS  77  11.797   4.756  -5.999
  651   3HZ   LYS  77          HZ3       LYS  77  12.779   5.647  -4.947
  652    H    VAL  78           HN       VAL  78   6.552   9.064   0.238
  653    HA   VAL  78           HA       VAL  78   4.465   8.755  -1.754
  654    HB   VAL  78           HB       VAL  78   2.962   9.763  -0.254
  655   1HG1  VAL  78          HG21      VAL  78   4.770   7.738   0.732
  656   2HG1  VAL  78          HG22      VAL  78   3.019   7.864   0.901
  657   3HG1  VAL  78          HG23      VAL  78   4.080   8.680   2.053
  658   1HG2  VAL  78          HG11      VAL  78   3.638  11.657   0.714
  659   2HG2  VAL  78          HG12      VAL  78   5.326  11.147   0.768
  660   3HG2  VAL  78          HG13      VAL  78   4.204  10.612   2.016
  661    H    LEU  79           HN       LEU  79   4.233  10.080  -3.420
  662    HA   LEU  79           HA       LEU  79   5.911  12.422  -3.639
  663   1HB   LEU  79          HB2       LEU  79   3.881  11.248  -5.543
  664   2HB   LEU  79          HB1       LEU  79   4.937  12.596  -5.915
  665    HG   LEU  79           HG       LEU  79   6.897  11.119  -5.651
  666   1HD1  LEU  79          HD21      LEU  79   6.376   8.628  -5.660
  667   2HD1  LEU  79          HD22      LEU  79   4.772   9.077  -5.076
  668   3HD1  LEU  79          HD23      LEU  79   6.203   9.478  -4.125
  669   1HD2  LEU  79          HD11      LEU  79   6.358   9.650  -7.656
  670   2HD2  LEU  79          HD12      LEU  79   6.153  11.390  -7.863
  671   3HD2  LEU  79          HD13      LEU  79   4.745  10.361  -7.602
  672    H    GLU  80           HN       GLU  80   2.569  11.681  -3.081
  673    HA   GLU  80           HA       GLU  80   2.023  14.547  -2.713
  674   1HB   GLU  80          HB2       GLU  80   0.024  12.625  -3.896
  675   2HB   GLU  80          HB1       GLU  80  -0.074  14.381  -3.830
  676   1HG   GLU  80          HG2       GLU  80   2.029  14.330  -5.314
  677   2HG   GLU  80          HG1       GLU  80   1.593  12.646  -5.609
  678    HA   PRO  81           HA       PRO  81   0.175  13.737   1.240
  679   1HB   PRO  81          HB2       PRO  81  -2.393  14.634  -0.019
  680   2HB   PRO  81          HB1       PRO  81  -1.688  15.093   1.537
  681   1HG   PRO  81          HG2       PRO  81  -1.512  16.736  -0.544
  682   2HG   PRO  81          HG1       PRO  81  -0.137  16.528   0.555
  683   1HD   PRO  81          HD1       PRO  81  -0.529  15.487  -2.207
  684   2HD   PRO  81          HD2       PRO  81   0.966  15.970  -1.382
  685    H    VAL  82           HN       VAL  82   0.132  11.569   1.510
  686    HA   VAL  82           HA       VAL  82  -1.758  10.012  -0.065
  687    HB   VAL  82           HB       VAL  82   0.944   9.633   0.750
  688   1HG1  VAL  82          HG21      VAL  82  -0.882   7.453   1.736
  689   2HG1  VAL  82          HG22      VAL  82   0.330   8.354   2.650
  690   3HG1  VAL  82          HG23      VAL  82   0.833   7.217   1.397
  691   1HG2  VAL  82          HG11      VAL  82  -1.010   8.355  -1.081
  692   2HG2  VAL  82          HG12      VAL  82   0.511   7.521  -0.759
  693   3HG2  VAL  82          HG13      VAL  82   0.524   9.152  -1.431
  694    H    ARG  83           HN       ARG  83  -3.321   8.777   0.723
  695    HA   ARG  83           HA       ARG  83  -3.614   8.442   3.616
  696   1HB   ARG  83          HB2       ARG  83  -5.030  10.383   2.667
  697   2HB   ARG  83          HB1       ARG  83  -5.982   9.130   1.885
  698   1HG   ARG  83          HG1       ARG  83  -7.193   9.045   3.737
  699   2HG   ARG  83          HG2       ARG  83  -5.801   8.296   4.518
  700   1HD   ARG  83          HD2       ARG  83  -6.146  10.049   5.940
  701   2HD   ARG  83          HD1       ARG  83  -5.036  10.802   4.795
  702    HE   ARG  83           HE       ARG  83  -7.436  11.387   3.737
  703   1HH1  ARG  83          HH11      ARG  83  -6.157  11.709   6.960
  704   2HH1  ARG  83          HH12      ARG  83  -7.129  13.089   7.347
  705   1HH2  ARG  83          HH22      ARG  83  -8.721  13.203   4.237
  706   2HH2  ARG  83          HH21      ARG  83  -8.588  13.938   5.798
  707    H    LYS  84           HN       LYS  84  -3.524   6.272   3.853
  708    HA   LYS  84           HA       LYS  84  -4.955   4.643   1.860
  709   1HB   LYS  84          HB2       LYS  84  -2.867   4.021   1.269
  710   2HB   LYS  84          HB1       LYS  84  -2.165   4.592   2.769
  711   1HG   LYS  84          HG2       LYS  84  -3.718   2.058   2.817
  712   2HG   LYS  84          HG1       LYS  84  -2.111   2.058   2.098
  713   1HD   LYS  84          HD2       LYS  84  -2.798   2.970   4.889
  714   2HD   LYS  84          HD1       LYS  84  -2.008   1.451   4.457
  715   1HE   LYS  84          HE2       LYS  84  -0.575   3.585   3.240
  716   2HE   LYS  84          HE1       LYS  84  -0.826   3.986   4.938
  717   1HZ   LYS  84          HZ1       LYS  84   1.230   2.633   4.294
  718   2HZ   LYS  84          HZ2       LYS  84   0.169   1.323   4.148
  719   3HZ   LYS  84          HZ3       LYS  84   0.330   2.120   5.630
  720    H    HIS  85           HN       HIS  85  -5.763   2.623   2.525
  721    HA   HIS  85           HA       HIS  85  -6.536   2.537   5.351
  722   1HB   HIS  85          HB1       HIS  85  -7.700   0.957   3.049
  723   2HB   HIS  85          HB2       HIS  85  -8.368   1.121   4.670
  724    HD1  HIS  85           HD1      HIS  85 -10.463   2.428   4.358
  725    HD2  HIS  85           HD2      HIS  85  -7.272   4.027   2.236
  726    HE1  HIS  85           HE1      HIS  85 -11.326   4.572   3.368
  727    HE2  HIS  85           HE2      HIS  85  -9.379   5.525   2.085
  728    H    TYR  86           HN       TYR  86  -6.655   0.315   6.324
  729    HA   TYR  86           HA       TYR  86  -4.308  -1.226   5.430
  730   1HB   TYR  86          HB2       TYR  86  -5.336  -0.568   8.173
  731   2HB   TYR  86          HB1       TYR  86  -4.168  -1.856   7.906
  732    HD1  TYR  86           HD1      TYR  86  -4.560   1.532   8.663
  733    HD2  TYR  86           HD2      TYR  86  -2.062  -1.130   6.489
  734    HE1  TYR  86           HE1      TYR  86  -2.758   3.182   8.736
  735    HE2  TYR  86           HE2      TYR  86  -0.239   0.510   6.558
  736    HH   TYR  86           HH       TYR  86   0.134   2.765   8.504
  737    H    ASN  87           HN       ASN  87  -4.225  -3.446   5.789
  738    HA   ASN  87           HA       ASN  87  -6.623  -4.860   6.603
  739   1HB   ASN  87          HB2       ASN  87  -6.748  -4.381   4.074
  740   2HB   ASN  87          HB1       ASN  87  -5.416  -5.525   3.920
  741   1HD2  ASN  87          HD22      ASN  87  -8.742  -5.140   4.950
  742   2HD2  ASN  87          HD21      ASN  87  -9.177  -6.805   4.807
  743    H    LEU  88           HN       LEU  88  -4.538  -4.870   8.124
  744    HA   LEU  88           HA       LEU  88  -2.618  -6.901   7.375
  745   1HB   LEU  88          HB1       LEU  88  -2.653  -5.964  10.167
  746   2HB   LEU  88          HB2       LEU  88  -1.313  -6.116   9.049
  747    HG   LEU  88           HG       LEU  88  -3.282  -3.821   9.164
  748   1HD1  LEU  88          HD21      LEU  88  -0.670  -4.346  10.366
  749   2HD1  LEU  88          HD22      LEU  88  -1.916  -3.181  10.812
  750   3HD1  LEU  88          HD23      LEU  88  -0.784  -2.807   9.512
  751   1HD2  LEU  88          HD11      LEU  88  -0.834  -4.002   7.443
  752   2HD2  LEU  88          HD12      LEU  88  -2.130  -2.809   7.395
  753   3HD2  LEU  88          HD13      LEU  88  -2.436  -4.462   6.864
  754    H    PHE  89           HN       PHE  89  -2.510  -8.954   8.091
  755    HA   PHE  89           HA       PHE  89  -4.855  -9.989   9.470
  756   1HB   PHE  89          HB2       PHE  89  -2.508 -11.515   8.323
  757   2HB   PHE  89          HB1       PHE  89  -4.064 -12.180   8.806
  758    HD1  PHE  89           HD1      PHE  89  -5.927 -10.237   7.633
  759    HD2  PHE  89           HD2      PHE  89  -2.363 -11.940   6.050
  760    HE1  PHE  89           HE1      PHE  89  -6.783  -9.899   5.350
  761    HE2  PHE  89           HE2      PHE  89  -3.212 -11.606   3.765
  762    HZ   PHE  89           HZ       PHE  89  -5.425 -10.584   3.413
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1   8.642 -13.355  -2.594
    2   2H    MET   1          HT2       MET   1   8.457 -14.040  -4.157
    3   3H    MET   1          HT3       MET   1   7.131 -14.017  -3.066
    4    HA   MET   1           HA       MET   1   7.535 -11.494  -3.098
    5   1HB   MET   1          HB1       MET   1   8.848 -12.553  -5.598
    6   2HB   MET   1          HB2       MET   1   8.207 -10.918  -5.510
    7   1HG   MET   1          HG2       MET   1  10.116 -10.250  -4.631
    8   2HG   MET   1          HG1       MET   1   9.800 -11.266  -3.226
    9   1HE   MET   1          HE1       MET   1  12.459 -10.279  -5.277
   10   2HE   MET   1          HE2       MET   1  13.586 -11.590  -4.929
   11   3HE   MET   1          HE3       MET   1  12.756 -10.768  -3.609
   12    H    GLU   2           HN       GLU   2   5.429 -11.075  -3.166
   13    HA   GLU   2           HA       GLU   2   3.910 -11.899  -5.535
   14   1HB   GLU   2          HB1       GLU   2   2.794 -12.121  -2.739
   15   2HB   GLU   2          HB2       GLU   2   2.046 -12.660  -4.236
   16   1HG   GLU   2          HG1       GLU   2   4.272 -14.114  -4.352
   17   2HG   GLU   2          HG2       GLU   2   4.159 -13.925  -2.602
   18    H    VAL   3           HN       VAL   3   4.750  -9.464  -5.602
   19    HA   VAL   3           HA       VAL   3   2.800  -7.708  -4.307
   20    HB   VAL   3           HB       VAL   3   4.998  -6.648  -6.029
   21   1HG1  VAL   3          HG21      VAL   3   4.934  -4.831  -4.354
   22   2HG1  VAL   3          HG22      VAL   3   3.634  -5.684  -3.521
   23   3HG1  VAL   3          HG23      VAL   3   3.386  -5.083  -5.161
   24   1HG2  VAL   3          HG11      VAL   3   6.369  -6.569  -3.845
   25   2HG2  VAL   3          HG12      VAL   3   6.330  -8.076  -4.760
   26   3HG2  VAL   3          HG13      VAL   3   5.327  -7.891  -3.322
   27    H    LYS   4           HN       LYS   4   1.131  -6.874  -5.357
   28    HA   LYS   4           HA       LYS   4   1.208  -6.769  -8.291
   29   1HB   LYS   4          HB1       LYS   4  -0.963  -7.732  -8.489
   30   2HB   LYS   4          HB2       LYS   4  -0.025  -8.803  -7.463
   31   1HG   LYS   4          HG2       LYS   4  -1.418  -6.841  -5.884
   32   2HG   LYS   4          HG1       LYS   4  -2.533  -7.717  -6.935
   33   1HD   LYS   4          HD1       LYS   4  -1.526  -9.844  -6.107
   34   2HD   LYS   4          HD2       LYS   4  -0.592  -8.890  -4.954
   35   1HE   LYS   4          HE1       LYS   4  -2.548  -9.754  -3.853
   36   2HE   LYS   4          HE2       LYS   4  -2.714  -8.008  -4.031
   37   1HZ   LYS   4          HZ1       LYS   4  -3.846  -9.757  -6.098
   38   2HZ   LYS   4          HZ2       LYS   4  -4.358  -8.229  -5.584
   39   3HZ   LYS   4          HZ3       LYS   4  -4.673  -9.592  -4.632
   40    H    ILE   5           HN       ILE   5  -0.139  -5.202  -9.252
   41    HA   ILE   5           HA       ILE   5  -1.083  -3.113  -7.394
   42    HB   ILE   5           HB       ILE   5  -0.124  -2.663 -10.219
   43   1HG1  ILE   5          HG11      ILE   5   1.794  -3.380  -8.980
   44   2HG1  ILE   5          HG12      ILE   5   1.879  -1.625  -9.088
   45   1HG2  ILE   5          HG21      ILE   5  -1.765  -1.063  -9.090
   46   2HG2  ILE   5          HG22      ILE   5  -0.295  -0.372  -9.777
   47   3HG2  ILE   5          HG23      ILE   5  -0.421  -0.626  -8.037
   48   1HD1  ILE   5          HD11      ILE   5   1.217  -3.326  -6.723
   49   2HD1  ILE   5          HD12      ILE   5   0.766  -1.623  -6.787
   50   3HD1  ILE   5          HD13      ILE   5   2.463  -2.090  -6.893
   51    H    GLU   6           HN       GLU   6  -3.222  -2.881  -7.388
   52    HA   GLU   6           HA       GLU   6  -4.700  -2.981  -9.890
   53   1HB   GLU   6          HB1       GLU   6  -4.811  -5.095  -7.835
   54   2HB   GLU   6          HB2       GLU   6  -6.374  -4.514  -8.391
   55   1HG   GLU   6          HG1       GLU   6  -4.174  -5.720 -10.046
   56   2HG   GLU   6          HG2       GLU   6  -5.767  -6.397  -9.711
   57    H    LYS   7           HN       LYS   7  -6.781  -2.044  -9.781
   58    HA   LYS   7           HA       LYS   7  -7.202  -0.405  -7.378
   59   1HB   LYS   7          HB1       LYS   7  -7.673   0.114 -10.283
   60   2HB   LYS   7          HB2       LYS   7  -8.688   0.923  -9.097
   61   1HG   LYS   7          HG1       LYS   7  -7.056   2.324  -8.466
   62   2HG   LYS   7          HG2       LYS   7  -5.812   1.072  -8.546
   63   1HD   LYS   7          HD1       LYS   7  -7.013   2.501 -10.916
   64   2HD   LYS   7          HD2       LYS   7  -5.440   2.853 -10.198
   65   1HE   LYS   7          HE2       LYS   7  -5.100   0.253 -10.611
   66   2HE   LYS   7          HE1       LYS   7  -6.302   0.553 -11.866
   67   1HZ   LYS   7          HZ1       LYS   7  -4.821   1.622 -13.117
   68   2HZ   LYS   7          HZ2       LYS   7  -3.636   0.939 -12.122
   69   3HZ   LYS   7          HZ3       LYS   7  -4.196   2.505 -11.818
   70    HA   PRO   8           HA       PRO   8 -10.570  -3.457  -6.983
   71   1HB   PRO   8          HB1       PRO   8 -11.446  -2.227  -4.611
   72   2HB   PRO   8          HB2       PRO   8 -10.398  -3.640  -4.741
   73   1HG   PRO   8          HG2       PRO   8  -9.691  -0.788  -4.285
   74   2HG   PRO   8          HG1       PRO   8  -8.893  -2.253  -3.688
   75   1HD   PRO   8          HD2       PRO   8  -7.843  -0.794  -5.664
   76   2HD   PRO   8          HD1       PRO   8  -7.715  -2.563  -5.655
   77    H    THR   9           HN       THR   9 -12.572  -3.342  -7.734
   78    HA   THR   9           HA       THR   9 -13.691  -0.748  -8.403
   79    HB   THR   9           HB       THR   9 -15.350  -3.067  -9.010
   80    HG1  THR   9           HG1      THR   9 -13.899  -4.065 -10.401
   81   1HG2  THR   9          HG21      THR   9 -14.615  -2.206 -11.403
   82   2HG2  THR   9          HG22      THR   9 -14.205  -0.770 -10.465
   83   3HG2  THR   9          HG23      THR   9 -15.852  -1.400 -10.437
   84    HA   PRO  10           HA       PRO  10 -16.567  -0.116  -5.121
   85   1HB   PRO  10          HB1       PRO  10 -18.887  -0.097  -6.800
   86   2HB   PRO  10          HB2       PRO  10 -18.035   1.283  -6.108
   87   1HG   PRO  10          HG1       PRO  10 -17.841   0.114  -8.813
   88   2HG   PRO  10          HG2       PRO  10 -17.495   1.765  -8.272
   89   1HD   PRO  10          HD2       PRO  10 -15.534   0.061  -8.958
   90   2HD   PRO  10          HD1       PRO  10 -15.327   1.239  -7.645
   91    H    GLU  11           HN       GLU  11 -17.190  -2.574  -7.554
   92    HA   GLU  11           HA       GLU  11 -19.204  -3.981  -6.167
   93   1HB   GLU  11          HB2       GLU  11 -17.831  -4.237  -8.613
   94   2HB   GLU  11          HB1       GLU  11 -17.557  -5.743  -7.747
   95   1HG   GLU  11          HG1       GLU  11 -20.306  -4.587  -8.029
   96   2HG   GLU  11          HG2       GLU  11 -19.586  -5.578  -9.297
   97    H    LYS  12           HN       LYS  12 -15.680  -4.274  -6.211
   98    HA   LYS  12           HA       LYS  12 -15.627  -6.529  -4.445
   99   1HB   LYS  12          HB1       LYS  12 -13.519  -4.643  -5.481
  100   2HB   LYS  12          HB2       LYS  12 -13.146  -5.894  -4.303
  101   1HG   LYS  12          HG2       LYS  12 -14.596  -7.078  -6.444
  102   2HG   LYS  12          HG1       LYS  12 -13.283  -6.109  -7.116
  103   1HD   LYS  12          HD2       LYS  12 -12.776  -7.965  -4.822
  104   2HD   LYS  12          HD1       LYS  12 -12.835  -8.581  -6.474
  105   1HE   LYS  12          HE1       LYS  12 -10.986  -7.321  -7.138
  106   2HE   LYS  12          HE2       LYS  12 -11.121  -6.229  -5.762
  107   1HZ   LYS  12          HZ1       LYS  12 -10.027  -7.648  -4.411
  108   2HZ   LYS  12          HZ2       LYS  12  -9.355  -8.186  -5.867
  109   3HZ   LYS  12          HZ3       LYS  12 -10.636  -9.037  -5.161
  110    H    LEU  13           HN       LEU  13 -15.563  -3.073  -4.115
  111    HA   LEU  13           HA       LEU  13 -14.517  -2.882  -1.518
  112   1HB   LEU  13          HB1       LEU  13 -16.442  -1.079  -2.979
  113   2HB   LEU  13          HB2       LEU  13 -15.650  -0.667  -1.469
  114    HG   LEU  13           HG       LEU  13 -14.291  -1.171  -4.120
  115   1HD1  LEU  13          HD11      LEU  13 -15.184   0.960  -4.278
  116   2HD1  LEU  13          HD12      LEU  13 -13.577   1.270  -3.621
  117   3HD1  LEU  13          HD13      LEU  13 -14.983   1.283  -2.556
  118   1HD2  LEU  13          HD21      LEU  13 -13.284  -1.183  -1.386
  119   2HD2  LEU  13          HD22      LEU  13 -12.447  -0.038  -2.434
  120   3HD2  LEU  13          HD23      LEU  13 -12.529  -1.744  -2.878
  121    H    LYS  14           HN       LYS  14 -17.713  -3.693  -2.675
  122    HA   LYS  14           HA       LYS  14 -19.186  -3.150  -0.352
  123   1HB   LYS  14          HB1       LYS  14 -19.535  -5.008  -2.669
  124   2HB   LYS  14          HB2       LYS  14 -20.596  -5.178  -1.277
  125   1HG   LYS  14          HG2       LYS  14 -20.389  -2.420  -2.103
  126   2HG   LYS  14          HG1       LYS  14 -20.919  -3.458  -3.429
  127   1HD   LYS  14          HD2       LYS  14 -22.300  -4.253  -1.077
  128   2HD   LYS  14          HD1       LYS  14 -22.426  -2.498  -1.222
  129   1HE   LYS  14          HE1       LYS  14 -22.964  -4.323  -3.543
  130   2HE   LYS  14          HE2       LYS  14 -24.217  -3.918  -2.371
  131   1HZ   LYS  14          HZ1       LYS  14 -23.072  -2.306  -4.472
  132   2HZ   LYS  14          HZ2       LYS  14 -23.222  -1.500  -2.992
  133   3HZ   LYS  14          HZ3       LYS  14 -24.583  -2.191  -3.721
  134    H    GLU  15           HN       GLU  15 -17.599  -6.168  -1.390
  135    HA   GLU  15           HA       GLU  15 -18.121  -7.440   1.158
  136   1HB   GLU  15          HB1       GLU  15 -16.740  -8.251  -1.378
  137   2HB   GLU  15          HB2       GLU  15 -16.482  -9.182   0.090
  138   1HG   GLU  15          HG2       GLU  15 -19.261  -8.797  -0.157
  139   2HG   GLU  15          HG1       GLU  15 -18.659  -9.278  -1.743
  140    H    LEU  16           HN       LEU  16 -15.481  -5.869  -0.490
  141    HA   LEU  16           HA       LEU  16 -13.587  -6.473   1.626
  142   1HB   LEU  16          HB1       LEU  16 -13.301  -4.946  -0.959
  143   2HB   LEU  16          HB2       LEU  16 -11.993  -5.213   0.177
  144    HG   LEU  16           HG       LEU  16 -13.501  -7.504  -1.054
  145   1HD1  LEU  16          HD21      LEU  16 -10.940  -7.075  -2.264
  146   2HD1  LEU  16          HD22      LEU  16 -11.955  -5.648  -2.479
  147   3HD1  LEU  16          HD23      LEU  16 -12.524  -7.226  -3.024
  148   1HD2  LEU  16          HD11      LEU  16 -10.802  -8.094  -0.608
  149   2HD2  LEU  16          HD12      LEU  16 -12.195  -8.671   0.307
  150   3HD2  LEU  16          HD13      LEU  16 -11.347  -7.212   0.819
  151    H    SER  17           HN       SER  17 -15.997  -4.552   1.823
  152    HA   SER  17           HA       SER  17 -15.725  -1.964   1.883
  153   1HB   SER  17          HB1       SER  17 -16.526  -3.572   4.317
  154   2HB   SER  17          HB2       SER  17 -16.846  -1.850   4.112
  155    HG   SER  17           HG       SER  17 -18.550  -2.429   3.048
  156    H    VAL  18           HN       VAL  18 -13.613  -1.255   1.811
  157    HA   VAL  18           HA       VAL  18 -11.763  -1.599   3.944
  158    HB   VAL  18           HB       VAL  18 -11.667   0.589   1.881
  159   1HG1  VAL  18          HG11      VAL  18  -9.497   0.839   2.428
  160   2HG1  VAL  18          HG12      VAL  18  -9.258  -0.881   2.726
  161   3HG1  VAL  18          HG13      VAL  18 -10.017   0.130   3.955
  162   1HG2  VAL  18          HG21      VAL  18 -11.917  -1.137   0.417
  163   2HG2  VAL  18          HG22      VAL  18 -11.309  -2.337   1.556
  164   3HG2  VAL  18          HG23      VAL  18 -10.184  -1.273   0.713
  165    H    GLU  19           HN       GLU  19 -14.395   0.513   3.385
  166    HA   GLU  19           HA       GLU  19 -13.724   2.848   4.677
  167   1HB   GLU  19          HB1       GLU  19 -16.227   2.786   5.391
  168   2HB   GLU  19          HB2       GLU  19 -15.830   2.830   3.678
  169   1HG   GLU  19          HG1       GLU  19 -16.722   0.819   3.299
  170   2HG   GLU  19          HG2       GLU  19 -16.022   0.125   4.763
  171    H    LYS  20           HN       LYS  20 -14.531  -0.271   6.043
  172    HA   LYS  20           HA       LYS  20 -14.620   0.776   8.744
  173   1HB   LYS  20          HB1       LYS  20 -14.856  -1.766   9.259
  174   2HB   LYS  20          HB2       LYS  20 -16.191  -0.906   8.511
  175   1HG   LYS  20          HG2       LYS  20 -15.716  -1.835   6.386
  176   2HG   LYS  20          HG1       LYS  20 -14.164  -2.468   6.937
  177   1HD   LYS  20          HD1       LYS  20 -15.760  -4.272   6.823
  178   2HD   LYS  20          HD2       LYS  20 -15.371  -3.946   8.513
  179   1HE   LYS  20          HE2       LYS  20 -17.649  -2.419   7.488
  180   2HE   LYS  20          HE1       LYS  20 -17.894  -4.166   7.491
  181   1HZ   LYS  20          HZ1       LYS  20 -17.698  -4.279   9.766
  182   2HZ   LYS  20          HZ2       LYS  20 -18.484  -2.793   9.581
  183   3HZ   LYS  20          HZ3       LYS  20 -16.821  -2.838   9.888
  184    H    TRP  21           HN       TRP  21 -12.115   0.080   6.741
  185    HA   TRP  21           HA       TRP  21 -10.463  -1.274   8.719
  186   1HB   TRP  21          HB2       TRP  21  -9.674  -0.263   5.979
  187   2HB   TRP  21          HB1       TRP  21  -8.777  -1.387   6.992
  188    HD1  TRP  21           HD1      TRP  21 -12.253  -2.425   7.256
  189    HE1  TRP  21           HE1      TRP  21 -12.799  -4.337   5.631
  190    HE3  TRP  21           HE3      TRP  21  -8.128  -2.134   4.240
  191    HZ2  TRP  21           HZ2      TRP  21 -11.631  -5.575   3.378
  192    HZ3  TRP  21           HZ3      TRP  21  -7.917  -3.726   2.378
  193    HH2  TRP  21           HH2      TRP  21  -9.636  -5.409   1.955
  194    HA   PRO  22           HA       PRO  22  -8.324   2.177  10.430
  195   1HB   PRO  22          HB2       PRO  22  -5.743   1.142   9.404
  196   2HB   PRO  22          HB1       PRO  22  -6.231   1.505  11.062
  197   1HG   PRO  22          HG1       PRO  22  -5.998  -1.017  10.186
  198   2HG   PRO  22          HG2       PRO  22  -7.241  -0.543  11.355
  199   1HD   PRO  22          HD2       PRO  22  -7.496  -1.126   8.440
  200   2HD   PRO  22          HD1       PRO  22  -8.638  -1.450   9.758
  201    H    ILE  23           HN       ILE  23  -6.791   3.985   9.902
  202    HA   ILE  23           HA       ILE  23  -6.488   4.432   7.024
  203    HB   ILE  23           HB       ILE  23  -8.595   5.551   7.896
  204   1HG1  ILE  23          HG12      ILE  23  -7.072   7.822   6.918
  205   2HG1  ILE  23          HG11      ILE  23  -6.678   6.352   6.031
  206   1HG2  ILE  23          HG21      ILE  23  -6.750   7.617   9.042
  207   2HG2  ILE  23          HG22      ILE  23  -7.396   6.309  10.034
  208   3HG2  ILE  23          HG23      ILE  23  -8.494   7.447   9.251
  209   1HD1  ILE  23          HD11      ILE  23  -9.478   7.353   6.461
  210   2HD1  ILE  23          HD12      ILE  23  -8.957   6.039   5.407
  211   3HD1  ILE  23          HD13      ILE  23  -8.503   7.701   5.033
  212    H    TRP  24           HN       TRP  24  -4.683   5.548   6.439
  213    HA   TRP  24           HA       TRP  24  -2.947   6.495   8.624
  214   1HB   TRP  24          HB2       TRP  24  -2.356   4.317   7.213
  215   2HB   TRP  24          HB1       TRP  24  -1.760   5.512   6.065
  216    HD1  TRP  24           HD1      TRP  24  -1.405   5.422   9.931
  217    HE1  TRP  24           HE1      TRP  24   1.097   5.625  10.497
  218    HE3  TRP  24           HE3      TRP  24   0.501   5.483   5.186
  219    HZ2  TRP  24           HZ2      TRP  24   3.554   5.791   9.116
  220    HZ3  TRP  24           HZ3      TRP  24   2.936   5.667   4.896
  221    HH2  TRP  24           HH2      TRP  24   4.432   5.817   6.821
  222    H    GLU  25           HN       GLU  25  -1.640   8.309   8.185
  223    HA   GLU  25           HA       GLU  25  -2.350   9.803   5.750
  224   1HB   GLU  25          HB2       GLU  25  -1.897  11.853   7.373
  225   2HB   GLU  25          HB1       GLU  25  -3.487  11.115   7.243
  226   1HG   GLU  25          HG1       GLU  25  -3.211   9.933   9.269
  227   2HG   GLU  25          HG2       GLU  25  -1.489  10.309   9.333
  228    H    LYS  26           HN       LYS  26  -0.656  10.811   4.694
  229    HA   LYS  26           HA       LYS  26   1.915  11.031   6.013
  230   1HB   LYS  26          HB2       LYS  26   1.727   8.659   5.184
  231   2HB   LYS  26          HB1       LYS  26   1.681   9.309   3.552
  232   1HG   LYS  26          HG1       LYS  26   3.911   8.564   4.091
  233   2HG   LYS  26          HG2       LYS  26   3.888  10.317   3.898
  234   1HD   LYS  26          HD2       LYS  26   3.349   9.695   6.625
  235   2HD   LYS  26          HD1       LYS  26   4.787   8.807   6.116
  236   1HE   LYS  26          HE2       LYS  26   6.024  10.663   6.024
  237   2HE   LYS  26          HE1       LYS  26   4.771  11.550   5.159
  238   1HZ   LYS  26          HZ1       LYS  26   5.175  12.592   7.261
  239   2HZ   LYS  26          HZ2       LYS  26   4.939  11.138   8.093
  240   3HZ   LYS  26          HZ3       LYS  26   3.640  11.882   7.305
  241    H    GLU  27           HN       GLU  27   2.955  12.748   5.364
  242    HA   GLU  27           HA       GLU  27   2.096  14.313   3.099
  243   1HB   GLU  27          HB1       GLU  27   3.861  15.857   3.754
  244   2HB   GLU  27          HB2       GLU  27   2.938  15.380   5.173
  245   1HG   GLU  27          HG2       GLU  27   4.675  14.280   6.109
  246   2HG   GLU  27          HG1       GLU  27   5.344  13.784   4.555
  247    H    VAL  28           HN       VAL  28   3.592  14.966   1.404
  248    HA   VAL  28           HA       VAL  28   4.497  12.765  -0.032
  249    HB   VAL  28           HB       VAL  28   5.143  14.260  -1.706
  250   1HG1  VAL  28          HG21      VAL  28   3.131  15.976  -0.355
  251   2HG1  VAL  28          HG22      VAL  28   2.711  14.316  -0.767
  252   3HG1  VAL  28          HG23      VAL  28   3.211  15.438  -2.032
  253   1HG2  VAL  28          HG11      VAL  28   6.633  15.807  -0.992
  254   2HG2  VAL  28          HG12      VAL  28   5.785  16.073   0.530
  255   3HG2  VAL  28          HG13      VAL  28   5.190  16.823  -0.952
  256    H    SER  29           HN       SER  29   5.903  12.200   2.177
  257    HA   SER  29           HA       SER  29   8.647  13.158   1.835
  258   1HB   SER  29          HB1       SER  29   7.129  12.654   4.120
  259   2HB   SER  29          HB2       SER  29   8.236  11.285   4.022
  260    HG   SER  29           HG       SER  29   9.026  14.004   3.860
  261    H    GLU  30           HN       GLU  30   9.907  10.910   2.993
  262    HA   GLU  30           HA       GLU  30   9.204   8.620   1.367
  263   1HB   GLU  30          HB1       GLU  30  12.013   9.716   1.250
  264   2HB   GLU  30          HB2       GLU  30  11.349   8.373   0.329
  265   1HG   GLU  30          HG2       GLU  30   9.709  10.163  -0.596
  266   2HG   GLU  30          HG1       GLU  30  10.931  11.304  -0.030
  267    H    PHE  31           HN       PHE  31   9.313   6.881   2.601
  268    HA   PHE  31           HA       PHE  31  11.238   6.851   4.829
  269   1HB   PHE  31          HB2       PHE  31   9.327   5.385   5.936
  270   2HB   PHE  31          HB1       PHE  31   9.328   7.140   6.067
  271    HD1  PHE  31           HD1      PHE  31   7.441   4.305   5.180
  272    HD2  PHE  31           HD2      PHE  31   8.004   8.414   4.223
  273    HE1  PHE  31           HE1      PHE  31   5.196   4.375   4.175
  274    HE2  PHE  31           HE2      PHE  31   5.760   8.491   3.217
  275    HZ   PHE  31           HZ       PHE  31   4.352   6.473   3.193
  276    H    ASP  32           HN       ASP  32  12.077   4.841   5.442
  277    HA   ASP  32           HA       ASP  32  12.165   2.868   3.330
  278   1HB   ASP  32          HB2       ASP  32  13.689   1.661   4.953
  279   2HB   ASP  32          HB1       ASP  32  14.235   3.263   4.465
  280    H    TRP  33           HN       TRP  33  11.063   0.964   3.279
  281    HA   TRP  33           HA       TRP  33   9.287   0.426   5.566
  282   1HB   TRP  33          HB2       TRP  33   8.281   1.092   3.309
  283   2HB   TRP  33          HB1       TRP  33   8.801  -0.490   2.735
  284    HD1  TRP  33           HD1      TRP  33   7.260   0.123   6.212
  285    HE1  TRP  33           HE1      TRP  33   5.055  -1.198   6.360
  286    HE3  TRP  33           HE3      TRP  33   6.997  -1.558   1.392
  287    HZ2  TRP  33           HZ2      TRP  33   3.420  -2.749   4.658
  288    HZ3  TRP  33           HZ3      TRP  33   5.081  -2.954   0.732
  289    HH2  TRP  33           HH2      TRP  33   3.331  -3.534   2.330
  290    H    TYR  34           HN       TYR  34   9.165  -1.550   6.445
  291    HA   TYR  34           HA       TYR  34  10.688  -3.742   5.219
  292   1HB   TYR  34          HB1       TYR  34  12.077  -2.753   7.001
  293   2HB   TYR  34          HB2       TYR  34  10.764  -2.983   8.150
  294    HD1  TYR  34           HD1      TYR  34  13.716  -4.379   6.832
  295    HD2  TYR  34           HD2      TYR  34   9.909  -5.450   8.398
  296    HE1  TYR  34           HE1      TYR  34  14.567  -6.628   7.348
  297    HE2  TYR  34           HE2      TYR  34  10.749  -7.702   8.919
  298    HH   TYR  34           HH       TYR  34  12.906  -8.811   9.339
  299    H    TYR  35           HN       TYR  35   9.362  -5.396   4.889
  300    HA   TYR  35           HA       TYR  35   6.806  -5.497   6.210
  301   1HB   TYR  35          HB2       TYR  35   7.636  -6.212   3.727
  302   2HB   TYR  35          HB1       TYR  35   7.606  -7.782   4.524
  303    HD1  TYR  35           HD1      TYR  35   5.502  -4.741   4.049
  304    HD2  TYR  35           HD2      TYR  35   5.623  -8.952   4.598
  305    HE1  TYR  35           HE1      TYR  35   3.072  -4.846   3.712
  306    HE2  TYR  35           HE2      TYR  35   3.196  -9.072   4.266
  307    HH   TYR  35           HH       TYR  35   1.196  -7.095   4.637
  308    H    ASP  36           HN       ASP  36   5.948  -7.434   7.207
  309    HA   ASP  36           HA       ASP  36   7.520  -9.584   8.088
  310   1HB   ASP  36          HB1       ASP  36   7.745  -8.976  10.489
  311   2HB   ASP  36          HB2       ASP  36   8.714  -7.953   9.432
  312    H    THR  37           HN       THR  37   4.899  -9.067   7.062
  313    HA   THR  37           HA       THR  37   3.360 -10.840   8.540
  314    HB   THR  37           HB       THR  37   2.934  -9.451  10.325
  315    HG1  THR  37           HG1      THR  37   0.869  -8.888  10.150
  316   1HG2  THR  37          HG21      THR  37   2.464  -6.982  10.061
  317   2HG2  THR  37          HG22      THR  37   3.117  -7.139   8.432
  318   3HG2  THR  37          HG23      THR  37   4.132  -7.505   9.827
  319    H    ASN  38           HN       ASN  38   2.038 -11.659   7.055
  320    HA   ASN  38           HA       ASN  38   1.594 -10.592   4.532
  321   1HB   ASN  38          HB1       ASN  38   0.575 -12.827   6.094
  322   2HB   ASN  38          HB2       ASN  38  -0.668 -12.143   5.050
  323   1HD2  ASN  38          HD21      ASN  38  -0.544 -12.421   2.882
  324   2HD2  ASN  38          HD22      ASN  38   0.663 -13.381   2.102
  325    H    GLU  39           HN       GLU  39   0.983  -8.451   4.584
  326    HA   GLU  39           HA       GLU  39  -1.720  -7.944   5.629
  327   1HB   GLU  39          HB1       GLU  39  -0.997  -6.216   6.855
  328   2HB   GLU  39          HB2       GLU  39   0.619  -6.831   6.580
  329   1HG   GLU  39          HG2       GLU  39   0.401  -5.305   4.405
  330   2HG   GLU  39          HG1       GLU  39  -0.721  -4.448   5.459
  331    H    THR  40           HN       THR  40  -2.847  -6.117   4.611
  332    HA   THR  40           HA       THR  40  -2.018  -5.530   1.873
  333    HB   THR  40           HB       THR  40  -4.676  -6.742   2.648
  334    HG1  THR  40           HG1      THR  40  -4.037  -8.397   1.448
  335   1HG2  THR  40          HG21      THR  40  -4.711  -6.503  -0.078
  336   2HG2  THR  40          HG22      THR  40  -4.075  -4.946   0.450
  337   3HG2  THR  40          HG23      THR  40  -5.627  -5.517   1.062
  338    H    CYS  41           HN       CYS  41  -2.524  -3.464   1.239
  339    HA   CYS  41           HA       CYS  41  -4.279  -1.920   3.028
  340   1HB   CYS  41          HB2       CYS  41  -2.567   0.016   2.458
  341   2HB   CYS  41          HB1       CYS  41  -2.300  -1.072   3.817
  342    HG   CYS  41           HG       CYS  41  -0.272  -1.946   2.730
  343    H    TYR  42           HN       TYR  42  -5.181  -0.001   2.077
  344    HA   TYR  42           HA       TYR  42  -5.233  -0.061  -0.865
  345   1HB   TYR  42          HB1       TYR  42  -7.296  -1.010  -0.383
  346   2HB   TYR  42          HB2       TYR  42  -7.489  -0.092   1.103
  347    HD1  TYR  42           HD1      TYR  42  -8.451   2.136   1.077
  348    HD2  TYR  42           HD2      TYR  42  -7.911  -0.048  -2.533
  349    HE1  TYR  42           HE1      TYR  42  -9.930   3.716  -0.093
  350    HE2  TYR  42           HE2      TYR  42  -9.386   1.522  -3.713
  351    HH   TYR  42           HH       TYR  42 -10.135   3.919  -3.422
  352    H    ILE  43           HN       ILE  43  -5.041   1.855  -1.868
  353    HA   ILE  43           HA       ILE  43  -4.336   4.155  -0.304
  354    HB   ILE  43           HB       ILE  43  -4.683   3.880  -3.286
  355   1HG1  ILE  43          HG11      ILE  43  -2.866   2.529  -2.000
  356   2HG1  ILE  43          HG12      ILE  43  -2.409   3.412  -3.451
  357   1HG2  ILE  43          HG21      ILE  43  -4.927   6.190  -2.653
  358   2HG2  ILE  43          HG22      ILE  43  -3.359   5.959  -3.427
  359   3HG2  ILE  43          HG23      ILE  43  -3.463   6.111  -1.674
  360   1HD1  ILE  43          HD11      ILE  43  -1.214   4.985  -2.286
  361   2HD1  ILE  43          HD12      ILE  43  -0.932   3.535  -1.319
  362   3HD1  ILE  43          HD13      ILE  43  -2.122   4.724  -0.795
  363    H    LEU  44           HN       LEU  44  -5.312   6.200  -0.386
  364    HA   LEU  44           HA       LEU  44  -8.172   6.191  -1.093
  365   1HB   LEU  44          HB2       LEU  44  -7.744   6.242   1.353
  366   2HB   LEU  44          HB1       LEU  44  -6.841   7.730   1.140
  367    HG   LEU  44           HG       LEU  44  -8.907   8.822   0.296
  368   1HD1  LEU  44          HD21      LEU  44 -10.208   7.084  -0.573
  369   2HD1  LEU  44          HD22      LEU  44 -11.059   7.579   0.891
  370   3HD1  LEU  44          HD23      LEU  44 -10.066   6.122   0.898
  371   1HD2  LEU  44          HD11      LEU  44 -10.142   8.373   2.654
  372   2HD2  LEU  44          HD12      LEU  44  -8.749   9.435   2.453
  373   3HD2  LEU  44          HD13      LEU  44  -8.521   7.780   3.017
  374    H    GLU  45           HN       GLU  45  -5.151   7.961  -1.055
  375    HA   GLU  45           HA       GLU  45  -5.653   9.400  -3.378
  376   1HB   GLU  45          HB2       GLU  45  -5.864  11.707  -2.355
  377   2HB   GLU  45          HB1       GLU  45  -7.299  10.695  -2.252
  378   1HG   GLU  45          HG1       GLU  45  -6.797  10.171   0.058
  379   2HG   GLU  45          HG2       GLU  45  -5.306  11.106  -0.032
  380    H    GLY  46           HN       GLY  46  -3.565   9.221  -3.997
  381   1HA   GLY  46          HA1       GLY  46  -1.567  10.899  -3.145
  382   2HA   GLY  46          HA2       GLY  46  -1.395   9.469  -2.141
  383    H    LYS  47           HN       LYS  47   0.697  10.102  -3.666
  384    HA   LYS  47           HA       LYS  47   0.670   7.982  -5.695
  385   1HB   LYS  47          HB1       LYS  47   0.740  10.702  -6.309
  386   2HB   LYS  47          HB2       LYS  47   2.418  10.189  -6.423
  387   1HG   LYS  47          HG1       LYS  47   1.241   8.200  -7.785
  388   2HG   LYS  47          HG2       LYS  47   0.108   9.512  -8.112
  389   1HD   LYS  47          HD1       LYS  47   1.661   9.667  -9.851
  390   2HD   LYS  47          HD2       LYS  47   2.188  10.897  -8.700
  391   1HE   LYS  47          HE2       LYS  47   3.891   9.424  -7.838
  392   2HE   LYS  47          HE1       LYS  47   3.312   8.105  -8.854
  393   1HZ   LYS  47          HZ1       LYS  47   4.384  10.664  -9.908
  394   2HZ   LYS  47          HZ2       LYS  47   3.988   9.281 -10.800
  395   3HZ   LYS  47          HZ3       LYS  47   5.301   9.251  -9.734
  396    H    VAL  48           HN       VAL  48   2.208   6.543  -5.243
  397    HA   VAL  48           HA       VAL  48   4.759   7.524  -4.183
  398    HB   VAL  48           HB       VAL  48   3.796   6.835  -2.173
  399   1HG1  VAL  48          HG11      VAL  48   2.712   4.526  -1.989
  400   2HG1  VAL  48          HG12      VAL  48   2.592   4.607  -3.748
  401   3HG1  VAL  48          HG13      VAL  48   1.801   5.832  -2.754
  402   1HG2  VAL  48          HG21      VAL  48   5.361   5.412  -1.423
  403   2HG2  VAL  48          HG22      VAL  48   5.982   5.478  -3.073
  404   3HG2  VAL  48          HG23      VAL  48   4.917   4.159  -2.585
  405    H    GLU  49           HN       GLU  49   6.518   6.584  -4.973
  406    HA   GLU  49           HA       GLU  49   6.167   4.262  -6.749
  407   1HB   GLU  49          HB1       GLU  49   8.576   6.047  -6.839
  408   2HB   GLU  49          HB2       GLU  49   7.897   5.039  -8.108
  409   1HG   GLU  49          HG1       GLU  49   6.041   6.565  -8.376
  410   2HG   GLU  49          HG2       GLU  49   6.637   7.555  -7.044
  411    H    VAL  50           HN       VAL  50   6.831   2.426  -5.831
  412    HA   VAL  50           HA       VAL  50   8.812   2.567  -3.681
  413    HB   VAL  50           HB       VAL  50   6.952   0.323  -4.473
  414   1HG1  VAL  50          HG11      VAL  50   9.137   0.507  -2.469
  415   2HG1  VAL  50          HG12      VAL  50   8.595  -0.868  -3.433
  416   3HG1  VAL  50          HG13      VAL  50   7.670  -0.361  -2.019
  417   1HG2  VAL  50          HG21      VAL  50   6.856   2.305  -2.205
  418   2HG2  VAL  50          HG22      VAL  50   5.808   0.894  -2.348
  419   3HG2  VAL  50          HG23      VAL  50   5.729   2.179  -3.555
  420    H    THR  51           HN       THR  51  10.741   1.600  -3.734
  421    HA   THR  51           HA       THR  51  11.390  -0.120  -6.025
  422    HB   THR  51           HB       THR  51  13.402   1.790  -4.857
  423    HG1  THR  51           HG1      THR  51  12.368   3.343  -5.788
  424   1HG2  THR  51          HG21      THR  51  13.723   1.355  -7.626
  425   2HG2  THR  51          HG22      THR  51  13.494  -0.217  -6.858
  426   3HG2  THR  51          HG23      THR  51  14.778   0.858  -6.303
  427    H    THR  52           HN       THR  52  11.858  -2.072  -5.267
  428    HA   THR  52           HA       THR  52  12.732  -2.405  -2.524
  429    HB   THR  52           HB       THR  52  12.219  -4.688  -2.774
  430    HG1  THR  52           HG1      THR  52  12.875  -5.647  -4.504
  431   1HG2  THR  52          HG21      THR  52  10.047  -4.401  -2.991
  432   2HG2  THR  52          HG22      THR  52  10.217  -4.239  -4.738
  433   3HG2  THR  52          HG23      THR  52  10.338  -2.815  -3.705
  434    H    GLU  53           HN       GLU  53  14.636  -3.420  -1.866
  435    HA   GLU  53           HA       GLU  53  16.973  -2.727  -3.191
  436   1HB   GLU  53          HB2       GLU  53  18.140  -4.071  -1.588
  437   2HB   GLU  53          HB1       GLU  53  16.758  -3.356  -0.770
  438   1HG   GLU  53          HG2       GLU  53  15.529  -5.476  -1.075
  439   2HG   GLU  53          HG1       GLU  53  16.979  -6.179  -1.789
  440    H    ASP  54           HN       ASP  54  15.133  -5.736  -3.297
  441    HA   ASP  54           HA       ASP  54  16.926  -7.351  -4.663
  442   1HB   ASP  54          HB1       ASP  54  14.454  -7.747  -3.732
  443   2HB   ASP  54          HB2       ASP  54  14.054  -7.514  -5.431
  444    H    GLY  55           HN       GLY  55  14.757  -4.860  -5.880
  445   1HA   GLY  55          HA1       GLY  55  15.773  -3.691  -7.870
  446   2HA   GLY  55          HA2       GLY  55  15.882  -5.294  -8.576
  447    H    LYS  56           HN       LYS  56  13.063  -5.069  -6.764
  448    HA   LYS  56           HA       LYS  56  11.477  -4.893  -9.185
  449   1HB   LYS  56          HB1       LYS  56  10.329  -5.196  -6.429
  450   2HB   LYS  56          HB2       LYS  56   9.714  -5.807  -7.957
  451   1HG   LYS  56          HG1       LYS  56  12.236  -6.823  -6.679
  452   2HG   LYS  56          HG2       LYS  56  10.644  -7.532  -6.400
  453   1HD   LYS  56          HD1       LYS  56  11.337  -7.141  -9.226
  454   2HD   LYS  56          HD2       LYS  56  12.358  -8.298  -8.370
  455   1HE   LYS  56          HE2       LYS  56  10.471  -9.434  -9.383
  456   2HE   LYS  56          HE1       LYS  56  10.353  -9.500  -7.625
  457   1HZ   LYS  56          HZ1       LYS  56   8.253  -8.942  -8.873
  458   2HZ   LYS  56          HZ2       LYS  56   8.950  -7.443  -9.228
  459   3HZ   LYS  56          HZ3       LYS  56   8.669  -7.886  -7.620
  460    H    LYS  57           HN       LYS  57   9.180  -3.754  -8.569
  461    HA   LYS  57           HA       LYS  57   9.537  -1.257  -7.190
  462   1HB   LYS  57          HB1       LYS  57   9.929  -1.417 -10.053
  463   2HB   LYS  57          HB2       LYS  57   8.578  -0.360  -9.664
  464   1HG   LYS  57          HG2       LYS  57   9.944   1.049  -8.338
  465   2HG   LYS  57          HG1       LYS  57  11.280  -0.103  -8.376
  466   1HD   LYS  57          HD2       LYS  57  10.367   0.729 -11.026
  467   2HD   LYS  57          HD1       LYS  57  10.996   2.052 -10.040
  468   1HE   LYS  57          HE1       LYS  57  12.773  -0.075  -9.668
  469   2HE   LYS  57          HE2       LYS  57  12.413  -0.055 -11.394
  470   1HZ   LYS  57          HZ1       LYS  57  13.813   1.630 -11.594
  471   2HZ   LYS  57          HZ2       LYS  57  14.069   1.684  -9.922
  472   3HZ   LYS  57          HZ3       LYS  57  12.813   2.580 -10.615
  473    H    TYR  58           HN       TYR  58   7.593  -0.195  -6.744
  474    HA   TYR  58           HA       TYR  58   5.136  -1.396  -7.783
  475   1HB   TYR  58          HB2       TYR  58   5.223  -0.783  -4.862
  476   2HB   TYR  58          HB1       TYR  58   4.222  -1.938  -5.735
  477    HD1  TYR  58           HD1      TYR  58   5.848  -3.791  -7.003
  478    HD2  TYR  58           HD2      TYR  58   6.633  -1.752  -3.350
  479    HE1  TYR  58           HE1      TYR  58   7.340  -5.620  -6.313
  480    HE2  TYR  58           HE2      TYR  58   8.128  -3.579  -2.650
  481    HH   TYR  58           HH       TYR  58   9.220  -5.986  -4.786
  482    H    VAL  59           HN       VAL  59   4.074   0.235  -8.672
  483    HA   VAL  59           HA       VAL  59   4.120   2.853  -7.322
  484    HB   VAL  59           HB       VAL  59   5.022   3.010  -9.563
  485   1HG1  VAL  59          HG21      VAL  59   2.398   1.912 -10.563
  486   2HG1  VAL  59          HG22      VAL  59   3.897   0.989 -10.462
  487   3HG1  VAL  59          HG23      VAL  59   3.791   2.386 -11.534
  488   1HG2  VAL  59          HG11      VAL  59   3.098   4.613  -8.546
  489   2HG2  VAL  59          HG12      VAL  59   2.371   4.169 -10.090
  490   3HG2  VAL  59          HG13      VAL  59   3.959   4.934 -10.051
  491    H    ILE  60           HN       ILE  60   2.328   3.253  -6.192
  492    HA   ILE  60           HA       ILE  60  -0.234   2.272  -7.275
  493    HB   ILE  60           HB       ILE  60  -1.031   1.976  -4.951
  494   1HG1  ILE  60          HG11      ILE  60   1.860   2.162  -4.110
  495   2HG1  ILE  60          HG12      ILE  60   0.765   3.536  -3.994
  496   1HG2  ILE  60          HG21      ILE  60  -0.540  -0.100  -5.626
  497   2HG2  ILE  60          HG22      ILE  60   0.851   0.048  -4.551
  498   3HG2  ILE  60          HG23      ILE  60   1.029   0.378  -6.274
  499   1HD1  ILE  60          HD11      ILE  60   0.810   2.528  -1.871
  500   2HD1  ILE  60          HD12      ILE  60   0.592   0.915  -2.550
  501   3HD1  ILE  60          HD13      ILE  60  -0.732   2.079  -2.600
  502    H    GLU  61           HN       GLU  61  -1.801   3.760  -7.484
  503    HA   GLU  61           HA       GLU  61  -1.576   6.232  -5.940
  504   1HB   GLU  61          HB2       GLU  61  -0.510   6.695  -8.086
  505   2HB   GLU  61          HB1       GLU  61  -1.947   6.135  -8.935
  506   1HG   GLU  61          HG1       GLU  61  -3.235   7.942  -7.828
  507   2HG   GLU  61          HG2       GLU  61  -1.724   8.535  -7.138
  508    H    LYS  62           HN       LYS  62  -3.363   6.905  -5.118
  509    HA   LYS  62           HA       LYS  62  -5.563   6.726  -4.405
  510   1HB   LYS  62          HB1       LYS  62  -5.475   8.704  -5.746
  511   2HB   LYS  62          HB2       LYS  62  -5.626   7.774  -7.230
  512   1HG   LYS  62          HG1       LYS  62  -7.689   8.984  -6.559
  513   2HG   LYS  62          HG2       LYS  62  -7.900   7.245  -6.761
  514   1HD   LYS  62          HD1       LYS  62  -7.165   7.745  -4.060
  515   2HD   LYS  62          HD2       LYS  62  -8.479   8.841  -4.489
  516   1HE   LYS  62          HE2       LYS  62  -8.909   6.144  -5.479
  517   2HE   LYS  62          HE1       LYS  62  -8.734   6.199  -3.725
  518   1HZ   LYS  62          HZ1       LYS  62 -11.049   6.477  -4.549
  519   2HZ   LYS  62          HZ2       LYS  62 -10.587   7.950  -5.242
  520   3HZ   LYS  62          HZ3       LYS  62 -10.511   7.744  -3.565
  521    H    GLY  63           HN       GLY  63  -6.573   4.880  -3.984
  522   1HA   GLY  63          HA2       GLY  63  -8.265   3.335  -4.324
  523   2HA   GLY  63          HA1       GLY  63  -8.315   3.807  -6.013
  524    H    ASP  64           HN       ASP  64  -5.208   2.975  -4.875
  525    HA   ASP  64           HA       ASP  64  -5.444   0.376  -6.229
  526   1HB   ASP  64          HB1       ASP  64  -3.743   2.384  -6.843
  527   2HB   ASP  64          HB2       ASP  64  -2.756   1.493  -5.689
  528    H    LEU  65           HN       LEU  65  -4.499  -1.467  -5.327
  529    HA   LEU  65           HA       LEU  65  -3.542  -1.243  -2.572
  530   1HB   LEU  65          HB2       LEU  65  -4.980  -2.777  -1.669
  531   2HB   LEU  65          HB1       LEU  65  -6.030  -1.936  -2.784
  532    HG   LEU  65           HG       LEU  65  -4.780  -4.652  -3.186
  533   1HD1  LEU  65          HD21      LEU  65  -7.509  -4.841  -3.452
  534   2HD1  LEU  65          HD22      LEU  65  -7.311  -3.690  -2.130
  535   3HD1  LEU  65          HD23      LEU  65  -6.572  -5.290  -2.025
  536   1HD2  LEU  65          HD11      LEU  65  -4.908  -4.177  -5.365
  537   2HD2  LEU  65          HD12      LEU  65  -5.897  -2.746  -5.087
  538   3HD2  LEU  65          HD13      LEU  65  -6.652  -4.337  -5.150
  539    H    VAL  66           HN       VAL  66  -2.005  -2.758  -1.976
  540    HA   VAL  66           HA       VAL  66  -1.118  -4.614  -4.078
  541    HB   VAL  66           HB       VAL  66   0.667  -2.779  -2.479
  542   1HG1  VAL  66          HG21      VAL  66   1.365  -4.812  -4.596
  543   2HG1  VAL  66          HG22      VAL  66   1.716  -4.947  -2.873
  544   3HG1  VAL  66          HG23      VAL  66   2.490  -3.687  -3.835
  545   1HG2  VAL  66          HG11      VAL  66  -0.439  -1.537  -4.178
  546   2HG2  VAL  66          HG12      VAL  66  -0.151  -2.803  -5.372
  547   3HG2  VAL  66          HG13      VAL  66   1.200  -1.861  -4.743
  548    H    THR  67           HN       THR  67   0.104  -6.401  -3.414
  549    HA   THR  67           HA       THR  67  -0.280  -7.126  -0.585
  550    HB   THR  67           HB       THR  67  -0.111  -8.811  -3.090
  551    HG1  THR  67           HG1      THR  67  -2.103  -8.297  -1.157
  552   1HG2  THR  67          HG21      THR  67   1.043 -10.195  -1.642
  553   2HG2  THR  67          HG22      THR  67  -0.630 -10.719  -1.449
  554   3HG2  THR  67          HG23      THR  67   0.112  -9.673  -0.238
  555    H    PHE  68           HN       PHE  68   1.442  -8.170   0.519
  556    HA   PHE  68           HA       PHE  68   4.020  -8.285  -0.825
  557   1HB   PHE  68          HB2       PHE  68   3.932  -6.874   1.810
  558   2HB   PHE  68          HB1       PHE  68   5.164  -6.814   0.563
  559    HD1  PHE  68           HD1      PHE  68   1.768  -5.671   1.459
  560    HD2  PHE  68           HD2      PHE  68   5.106  -5.183  -1.134
  561    HE1  PHE  68           HE1      PHE  68   0.785  -3.588   0.594
  562    HE2  PHE  68           HE2      PHE  68   4.129  -3.100  -2.004
  563    HZ   PHE  68           HZ       PHE  68   1.966  -2.293  -1.122
  564    HA   PRO  69           HA       PRO  69   4.335 -11.756   1.898
  565   1HB   PRO  69          HB1       PRO  69   6.738 -12.642   1.164
  566   2HB   PRO  69          HB2       PRO  69   5.395 -12.612   0.018
  567   1HG   PRO  69          HG1       PRO  69   7.733 -10.782   0.249
  568   2HG   PRO  69          HG2       PRO  69   6.879 -11.338  -1.199
  569   1HD   PRO  69          HD2       PRO  69   6.512  -8.878   0.122
  570   2HD   PRO  69          HD1       PRO  69   5.470  -9.563  -1.138
  571    H    LYS  70           HN       LYS  70   4.996 -12.230   3.912
  572    HA   LYS  70           HA       LYS  70   6.148 -10.472   5.647
  573   1HB   LYS  70          HB1       LYS  70   5.181 -13.016   5.839
  574   2HB   LYS  70          HB2       LYS  70   6.888 -13.274   6.173
  575   1HG   LYS  70          HG2       LYS  70   6.667 -11.385   7.872
  576   2HG   LYS  70          HG1       LYS  70   4.924 -11.590   7.681
  577   1HD   LYS  70          HD2       LYS  70   4.934 -13.356   9.029
  578   2HD   LYS  70          HD1       LYS  70   6.168 -14.146   8.045
  579   1HE   LYS  70          HE2       LYS  70   7.084 -11.964   9.813
  580   2HE   LYS  70          HE1       LYS  70   6.549 -13.446  10.604
  581   1HZ   LYS  70          HZ1       LYS  70   8.777 -13.071   8.708
  582   2HZ   LYS  70          HZ2       LYS  70   8.084 -14.597   8.935
  583   3HZ   LYS  70          HZ3       LYS  70   8.796 -13.790  10.239
  584    H    GLY  71           HN       GLY  71   8.067  -9.489   5.609
  585   1HA   GLY  71          HA2       GLY  71  10.455  -9.850   6.068
  586   2HA   GLY  71          HA1       GLY  71  10.421 -11.099   4.835
  587    H    LEU  72           HN       LEU  72   8.734  -9.423   3.055
  588    HA   LEU  72           HA       LEU  72  10.618  -8.389   1.377
  589   1HB   LEU  72          HB2       LEU  72   8.469  -8.603   0.506
  590   2HB   LEU  72          HB1       LEU  72   7.736  -7.717   1.824
  591    HG   LEU  72           HG       LEU  72   8.205  -5.650   0.884
  592   1HD1  LEU  72          HD11      LEU  72   9.847  -5.936  -1.325
  593   2HD1  LEU  72          HD12      LEU  72  10.585  -6.987  -0.116
  594   3HD1  LEU  72          HD13      LEU  72  10.314  -5.281   0.244
  595   1HD2  LEU  72          HD21      LEU  72   7.924  -6.137  -1.734
  596   2HD2  LEU  72          HD22      LEU  72   6.601  -6.263  -0.577
  597   3HD2  LEU  72          HD23      LEU  72   7.461  -7.713  -1.092
  598    H    ARG  73           HN       ARG  73  11.906  -6.662   1.290
  599    HA   ARG  73           HA       ARG  73  11.407  -4.453   3.174
  600   1HB   ARG  73          HB1       ARG  73  13.389  -5.973   3.715
  601   2HB   ARG  73          HB2       ARG  73  14.151  -5.318   2.272
  602   1HG   ARG  73          HG2       ARG  73  13.454  -3.033   3.513
  603   2HG   ARG  73          HG1       ARG  73  13.712  -4.086   4.905
  604   1HD   ARG  73          HD1       ARG  73  15.944  -4.562   4.237
  605   2HD   ARG  73          HD2       ARG  73  15.701  -3.797   2.666
  606    HE   ARG  73           HE       ARG  73  15.233  -1.857   4.591
  607   1HH1  ARG  73          HH21      ARG  73  17.878  -3.850   3.515
  608   2HH1  ARG  73          HH22      ARG  73  19.095  -2.700   3.958
  609   1HH2  ARG  73          HH11      ARG  73  16.828  -0.335   5.177
  610   2HH2  ARG  73          HH12      ARG  73  18.498  -0.702   4.902
  611    H    CYS  74           HN       CYS  74  10.877  -2.673   2.098
  612    HA   CYS  74           HA       CYS  74  12.411  -1.907  -0.259
  613   1HB   CYS  74          HB2       CYS  74  10.103  -1.244  -1.313
  614   2HB   CYS  74          HB1       CYS  74  10.702  -2.892  -1.471
  615    HG   CYS  74           HG       CYS  74   9.017  -3.056   0.860
  616    H    ARG  75           HN       ARG  75  12.060   0.336  -0.892
  617    HA   ARG  75           HA       ARG  75  11.447   1.993   1.450
  618   1HB   ARG  75          HB1       ARG  75  13.678   2.323   0.624
  619   2HB   ARG  75          HB2       ARG  75  13.101   2.503  -1.026
  620   1HG   ARG  75          HG1       ARG  75  12.226   4.416   1.098
  621   2HG   ARG  75          HG2       ARG  75  13.793   4.599   0.305
  622   1HD   ARG  75          HD2       ARG  75  11.995   4.157  -1.771
  623   2HD   ARG  75          HD1       ARG  75  11.145   5.238  -0.667
  624    HE   ARG  75           HE       ARG  75  12.623   6.909  -1.207
  625   1HH1  ARG  75          HH11      ARG  75  13.829   3.865  -2.390
  626   2HH1  ARG  75          HH12      ARG  75  15.102   4.583  -3.321
  627   1HH2  ARG  75          HH22      ARG  75  14.296   7.865  -2.428
  628   2HH2  ARG  75          HH21      ARG  75  15.367   6.857  -3.341
  629    H    TRP  76           HN       TRP  76   9.639   3.167   1.484
  630    HA   TRP  76           HA       TRP  76   8.205   3.591  -1.043
  631   1HB   TRP  76          HB1       TRP  76   7.279   3.523   1.814
  632   2HB   TRP  76          HB2       TRP  76   6.295   4.250   0.556
  633    HD1  TRP  76           HD1      TRP  76   8.312   0.995   0.110
  634    HE1  TRP  76           HE1      TRP  76   6.656  -0.907  -0.407
  635    HE3  TRP  76           HE3      TRP  76   3.922   3.542   0.741
  636    HZ2  TRP  76           HZ2      TRP  76   3.861  -1.278  -0.530
  637    HZ3  TRP  76           HZ3      TRP  76   1.802   2.339   0.404
  638    HH2  TRP  76           HH2      TRP  76   1.775  -0.021  -0.218
  639    H    LYS  77           HN       LYS  77   7.358   5.602  -1.561
  640    HA   LYS  77           HA       LYS  77   8.110   7.936  -0.016
  641   1HB   LYS  77          HB1       LYS  77   9.001   8.828  -2.398
  642   2HB   LYS  77          HB2       LYS  77  10.059   8.117  -1.185
  643   1HG   LYS  77          HG2       LYS  77  10.625   6.467  -2.550
  644   2HG   LYS  77          HG1       LYS  77   8.934   6.065  -2.865
  645   1HD   LYS  77          HD2       LYS  77   8.828   7.389  -4.740
  646   2HD   LYS  77          HD1       LYS  77  10.110   8.467  -4.183
  647   1HE   LYS  77          HE1       LYS  77  11.262   5.910  -4.465
  648   2HE   LYS  77          HE2       LYS  77  10.285   6.189  -5.907
  649   1HZ   LYS  77          HZ1       LYS  77  11.517   8.531  -5.697
  650   2HZ   LYS  77          HZ2       LYS  77  12.141   7.234  -6.585
  651   3HZ   LYS  77          HZ3       LYS  77  12.701   7.532  -5.017
  652    H    VAL  78           HN       VAL  78   6.550   9.479  -0.194
  653    HA   VAL  78           HA       VAL  78   4.590   9.029  -2.320
  654    HB   VAL  78           HB       VAL  78   2.986  10.292  -0.909
  655   1HG1  VAL  78          HG21      VAL  78   2.681   7.990  -0.856
  656   2HG1  VAL  78          HG22      VAL  78   2.866   8.392   0.851
  657   3HG1  VAL  78          HG23      VAL  78   4.222   7.707  -0.046
  658   1HG2  VAL  78          HG11      VAL  78   4.307   9.854   1.590
  659   2HG2  VAL  78          HG12      VAL  78   3.608  11.334   0.930
  660   3HG2  VAL  78          HG13      VAL  78   5.281  10.908   0.563
  661    H    LEU  79           HN       LEU  79   4.190  10.477  -3.788
  662    HA   LEU  79           HA       LEU  79   5.724  12.943  -3.789
  663   1HB   LEU  79          HB2       LEU  79   3.966  11.648  -5.877
  664   2HB   LEU  79          HB1       LEU  79   4.839  13.148  -6.118
  665    HG   LEU  79           HG       LEU  79   6.965  12.002  -5.957
  666   1HD1  LEU  79          HD21      LEU  79   5.290   9.625  -5.213
  667   2HD1  LEU  79          HD22      LEU  79   6.648  10.336  -4.338
  668   3HD1  LEU  79          HD23      LEU  79   6.929   9.463  -5.843
  669   1HD2  LEU  79          HD11      LEU  79   4.900  11.099  -7.855
  670   2HD2  LEU  79          HD12      LEU  79   6.377  10.136  -7.788
  671   3HD2  LEU  79          HD13      LEU  79   6.464  11.860  -8.151
  672    H    GLU  80           HN       GLU  80   2.560  11.845  -3.079
  673    HA   GLU  80           HA       GLU  80   1.644  14.616  -2.781
  674   1HB   GLU  80          HB2       GLU  80   0.085  12.369  -4.057
  675   2HB   GLU  80          HB1       GLU  80  -0.575  13.951  -3.663
  676   1HG   GLU  80          HG2       GLU  80   1.831  14.053  -5.314
  677   2HG   GLU  80          HG1       GLU  80   0.471  13.226  -6.073
  678    HA   PRO  81           HA       PRO  81   0.304  13.578   1.328
  679   1HB   PRO  81          HB2       PRO  81  -2.335  14.567   0.301
  680   2HB   PRO  81          HB1       PRO  81  -1.531  14.917   1.837
  681   1HG   PRO  81          HG2       PRO  81  -1.446  16.684  -0.145
  682   2HG   PRO  81          HG1       PRO  81  -0.013  16.386   0.853
  683   1HD   PRO  81          HD1       PRO  81  -0.574  15.556  -1.946
  684   2HD   PRO  81          HD2       PRO  81   0.977  15.915  -1.162
  685    H    VAL  82           HN       VAL  82   0.122  11.460   1.706
  686    HA   VAL  82           HA       VAL  82  -1.746   9.917   0.096
  687    HB   VAL  82           HB       VAL  82   0.907   9.526   0.756
  688   1HG1  VAL  82          HG21      VAL  82  -0.049   8.600   2.993
  689   2HG1  VAL  82          HG22      VAL  82   1.231   7.730   2.146
  690   3HG1  VAL  82          HG23      VAL  82  -0.440   7.184   2.016
  691   1HG2  VAL  82          HG11      VAL  82   0.386   8.550  -1.190
  692   2HG2  VAL  82          HG12      VAL  82  -1.219   8.064  -0.641
  693   3HG2  VAL  82          HG13      VAL  82   0.194   7.106  -0.196
  694    H    ARG  83           HN       ARG  83  -3.305   8.636   0.843
  695    HA   ARG  83           HA       ARG  83  -3.716   8.422   3.732
  696   1HB   ARG  83          HB2       ARG  83  -5.683   9.358   1.673
  697   2HB   ARG  83          HB1       ARG  83  -6.249   8.508   3.106
  698   1HG   ARG  83          HG1       ARG  83  -4.376  10.669   3.689
  699   2HG   ARG  83          HG2       ARG  83  -5.864  11.203   2.907
  700   1HD   ARG  83          HD2       ARG  83  -6.199   9.252   5.086
  701   2HD   ARG  83          HD1       ARG  83  -5.597  10.836   5.570
  702    HE   ARG  83           HE       ARG  83  -8.246  10.213   4.875
  703   1HH1  ARG  83          HH12      ARG  83  -5.832  12.666   4.344
  704   2HH1  ARG  83          HH11      ARG  83  -6.987  13.938   4.120
  705   1HH2  ARG  83          HH22      ARG  83  -9.777  11.881   4.580
  706   2HH2  ARG  83          HH21      ARG  83  -9.230  13.491   4.254
  707    H    LYS  84           HN       LYS  84  -3.463   6.296   4.125
  708    HA   LYS  84           HA       LYS  84  -4.482   4.422   2.096
  709   1HB   LYS  84          HB1       LYS  84  -2.029   4.486   2.291
  710   2HB   LYS  84          HB2       LYS  84  -2.155   4.070   3.993
  711   1HG   LYS  84          HG1       LYS  84  -2.390   1.898   3.556
  712   2HG   LYS  84          HG2       LYS  84  -3.546   2.194   2.256
  713   1HD   LYS  84          HD1       LYS  84  -1.710   1.213   1.186
  714   2HD   LYS  84          HD2       LYS  84  -1.523   2.939   0.876
  715   1HE   LYS  84          HE2       LYS  84  -0.231   1.866   3.314
  716   2HE   LYS  84          HE1       LYS  84   0.471   1.395   1.766
  717   1HZ   LYS  84          HZ1       LYS  84   0.232   4.082   2.946
  718   2HZ   LYS  84          HZ2       LYS  84   0.349   3.906   1.268
  719   3HZ   LYS  84          HZ3       LYS  84   1.588   3.332   2.266
  720    H    HIS  85           HN       HIS  85  -5.409   2.506   2.696
  721    HA   HIS  85           HA       HIS  85  -6.501   2.416   5.419
  722   1HB   HIS  85          HB1       HIS  85  -7.423   1.039   2.884
  723   2HB   HIS  85          HB2       HIS  85  -8.190   0.872   4.460
  724    HD1  HIS  85           HD1      HIS  85 -10.372   2.036   4.129
  725    HD2  HIS  85           HD2      HIS  85  -7.161   4.279   2.744
  726    HE1  HIS  85           HE1      HIS  85 -11.337   4.268   3.491
  727    HE2  HIS  85           HE2      HIS  85  -9.376   5.611   2.656
  728    H    TYR  86           HN       TYR  86  -6.713   0.165   6.357
  729    HA   TYR  86           HA       TYR  86  -4.315  -1.380   5.625
  730   1HB   TYR  86          HB2       TYR  86  -5.551  -0.804   8.303
  731   2HB   TYR  86          HB1       TYR  86  -4.366  -2.081   8.078
  732    HD1  TYR  86           HD1      TYR  86  -3.924   0.048  10.002
  733    HD2  TYR  86           HD2      TYR  86  -3.012  -0.069   5.850
  734    HE1  TYR  86           HE1      TYR  86  -2.121   1.666  10.356
  735    HE2  TYR  86           HE2      TYR  86  -1.212   1.541   6.188
  736    HH   TYR  86           HH       TYR  86   0.290   2.249   8.170
  737    H    ASN  87           HN       ASN  87  -4.248  -3.582   6.189
  738    HA   ASN  87           HA       ASN  87  -6.639  -5.046   6.771
  739   1HB   ASN  87          HB2       ASN  87  -6.628  -4.398   4.209
  740   2HB   ASN  87          HB1       ASN  87  -5.491  -5.738   4.097
  741   1HD2  ASN  87          HD22      ASN  87  -6.219  -7.789   4.221
  742   2HD2  ASN  87          HD21      ASN  87  -7.884  -8.219   4.386
  743    H    LEU  88           HN       LEU  88  -4.480  -5.066   8.235
  744    HA   LEU  88           HA       LEU  88  -2.611  -7.110   7.396
  745   1HB   LEU  88          HB1       LEU  88  -2.520  -6.192  10.191
  746   2HB   LEU  88          HB2       LEU  88  -1.231  -6.345   9.016
  747    HG   LEU  88           HG       LEU  88  -3.176  -4.046   9.260
  748   1HD1  LEU  88          HD21      LEU  88  -0.860  -2.876   9.533
  749   2HD1  LEU  88          HD22      LEU  88  -0.325  -4.486  10.016
  750   3HD1  LEU  88          HD23      LEU  88  -1.617  -3.683  10.907
  751   1HD2  LEU  88          HD11      LEU  88  -2.344  -4.817   6.897
  752   2HD2  LEU  88          HD12      LEU  88  -0.848  -4.034   7.403
  753   3HD2  LEU  88          HD13      LEU  88  -2.348  -3.111   7.339
  754    H    PHE  89           HN       PHE  89  -2.261  -9.087   8.413
  755    HA   PHE  89           HA       PHE  89  -4.605 -10.108   9.868
  756   1HB   PHE  89          HB1       PHE  89  -2.490 -11.707   8.411
  757   2HB   PHE  89          HB2       PHE  89  -4.012 -12.307   9.064
  758    HD1  PHE  89           HD1      PHE  89  -5.960 -10.378   8.165
  759    HD2  PHE  89           HD2      PHE  89  -2.573 -11.949   6.123
  760    HE1  PHE  89           HE1      PHE  89  -7.062  -9.941   6.011
  761    HE2  PHE  89           HE2      PHE  89  -3.670 -11.515   3.963
  762    HZ   PHE  89           HZ       PHE  89  -5.917 -10.509   3.906
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1   3.911 -15.053  -1.363
    2   2H    MET   1          HT2       MET   1   3.858 -15.042  -3.079
    3   3H    MET   1          HT3       MET   1   2.829 -14.002  -2.182
    4    HA   MET   1           HA       MET   1   4.581 -12.699  -1.464
    5   1HB   MET   1          HB2       MET   1   6.183 -14.380  -0.917
    6   2HB   MET   1          HB1       MET   1   6.262 -14.944  -2.580
    7   1HG   MET   1          HG1       MET   1   7.318 -12.827  -3.233
    8   2HG   MET   1          HG2       MET   1   7.277 -12.302  -1.550
    9   1HE   MET   1          HE1       MET   1   8.864 -13.832  -4.288
   10   2HE   MET   1          HE2       MET   1  10.207 -14.830  -3.731
   11   3HE   MET   1          HE3       MET   1  10.312 -13.073  -3.625
   12    H    GLU   2           HN       GLU   2   3.729 -11.205  -2.854
   13    HA   GLU   2           HA       GLU   2   5.138 -10.400  -5.078
   14   1HB   GLU   2          HB2       GLU   2   3.619 -12.665  -5.713
   15   2HB   GLU   2          HB1       GLU   2   2.718 -11.313  -6.384
   16   1HG   GLU   2          HG1       GLU   2   4.643 -10.602  -7.649
   17   2HG   GLU   2          HG2       GLU   2   5.632 -11.856  -6.902
   18    H    VAL   3           HN       VAL   3   4.714  -8.302  -5.056
   19    HA   VAL   3           HA       VAL   3   2.283  -7.246  -3.977
   20    HB   VAL   3           HB       VAL   3   4.574  -5.838  -5.358
   21   1HG1  VAL   3          HG21      VAL   3   3.712  -3.806  -4.655
   22   2HG1  VAL   3          HG22      VAL   3   2.666  -4.555  -3.452
   23   3HG1  VAL   3          HG23      VAL   3   2.269  -4.680  -5.165
   24   1HG2  VAL   3          HG11      VAL   3   4.843  -5.196  -2.767
   25   2HG2  VAL   3          HG12      VAL   3   5.658  -6.569  -3.517
   26   3HG2  VAL   3          HG13      VAL   3   4.169  -6.817  -2.605
   27    H    LYS   4           HN       LYS   4   0.522  -7.586  -5.228
   28    HA   LYS   4           HA       LYS   4   0.674  -7.160  -8.103
   29   1HB   LYS   4          HB1       LYS   4  -1.487  -8.170  -8.222
   30   2HB   LYS   4          HB2       LYS   4  -0.527  -9.128  -7.107
   31   1HG   LYS   4          HG2       LYS   4  -1.996  -7.040  -5.743
   32   2HG   LYS   4          HG1       LYS   4  -3.055  -8.109  -6.663
   33   1HD   LYS   4          HD1       LYS   4  -1.779 -10.031  -5.577
   34   2HD   LYS   4          HD2       LYS   4  -1.128  -8.817  -4.472
   35   1HE   LYS   4          HE1       LYS   4  -3.227  -8.345  -3.564
   36   2HE   LYS   4          HE2       LYS   4  -4.080  -9.076  -4.924
   37   1HZ   LYS   4          HZ1       LYS   4  -2.465 -11.029  -3.720
   38   2HZ   LYS   4          HZ2       LYS   4  -4.152 -10.977  -3.821
   39   3HZ   LYS   4          HZ3       LYS   4  -3.361 -10.268  -2.505
   40    H    ILE   5           HN       ILE   5  -0.482  -5.616  -9.222
   41    HA   ILE   5           HA       ILE   5  -1.481  -3.394  -7.576
   42    HB   ILE   5           HB       ILE   5  -0.574  -3.237 -10.442
   43   1HG1  ILE   5          HG11      ILE   5   1.367  -3.887  -9.230
   44   2HG1  ILE   5          HG12      ILE   5   1.478  -2.138  -9.400
   45   1HG2  ILE   5          HG21      ILE   5  -1.890  -1.422  -8.683
   46   2HG2  ILE   5          HG22      ILE   5  -1.388  -1.177 -10.357
   47   3HG2  ILE   5          HG23      ILE   5  -0.277  -0.807  -9.039
   48   1HD1  ILE   5          HD11      ILE   5   0.491  -1.966  -7.101
   49   2HD1  ILE   5          HD12      ILE   5   2.120  -2.627  -7.203
   50   3HD1  ILE   5          HD13      ILE   5   0.747  -3.704  -6.957
   51    H    GLU   6           HN       GLU   6  -3.592  -3.180  -7.489
   52    HA   GLU   6           HA       GLU   6  -5.174  -3.446  -9.922
   53   1HB   GLU   6          HB2       GLU   6  -4.958  -5.650  -8.337
   54   2HB   GLU   6          HB1       GLU   6  -6.373  -4.874  -7.639
   55   1HG   GLU   6          HG2       GLU   6  -7.662  -5.487  -9.336
   56   2HG   GLU   6          HG1       GLU   6  -6.492  -4.922 -10.528
   57    H    LYS   7           HN       LYS   7  -7.245  -2.491  -9.803
   58    HA   LYS   7           HA       LYS   7  -7.554  -0.634  -7.542
   59   1HB   LYS   7          HB2       LYS   7  -8.440  -0.390 -10.416
   60   2HB   LYS   7          HB1       LYS   7  -8.934   0.724  -9.149
   61   1HG   LYS   7          HG1       LYS   7  -7.014   1.843  -9.244
   62   2HG   LYS   7          HG2       LYS   7  -6.053   0.362  -9.248
   63   1HD   LYS   7          HD1       LYS   7  -7.345   0.516 -11.754
   64   2HD   LYS   7          HD2       LYS   7  -6.672   2.113 -11.422
   65   1HE   LYS   7          HE2       LYS   7  -4.993  -0.307 -10.952
   66   2HE   LYS   7          HE1       LYS   7  -5.227   0.272 -12.601
   67   1HZ   LYS   7          HZ1       LYS   7  -3.700   1.811 -12.244
   68   2HZ   LYS   7          HZ2       LYS   7  -3.466   1.249 -10.666
   69   3HZ   LYS   7          HZ3       LYS   7  -4.604   2.462 -10.971
   70    HA   PRO   8           HA       PRO   8 -10.916  -3.589  -6.716
   71   1HB   PRO   8          HB1       PRO   8 -11.721  -2.177  -4.442
   72   2HB   PRO   8          HB2       PRO   8 -10.602  -3.540  -4.478
   73   1HG   PRO   8          HG2       PRO   8 -10.030  -0.617  -4.388
   74   2HG   PRO   8          HG1       PRO   8  -9.167  -1.956  -3.610
   75   1HD   PRO   8          HD2       PRO   8  -8.183  -0.759  -5.778
   76   2HD   PRO   8          HD1       PRO   8  -8.025  -2.507  -5.553
   77    H    THR   9           HN       THR   9 -12.936  -3.553  -7.411
   78    HA   THR   9           HA       THR   9 -14.149  -1.016  -8.179
   79    HB   THR   9           HB       THR   9 -15.704  -3.450  -8.656
   80    HG1  THR   9           HG1      THR   9 -14.289  -4.463  -9.971
   81   1HG2  THR   9          HG21      THR   9 -16.430  -2.082 -10.228
   82   2HG2  THR   9          HG22      THR   9 -14.928  -2.416 -11.089
   83   3HG2  THR   9          HG23      THR   9 -15.047  -1.005 -10.038
   84    HA   PRO  10           HA       PRO  10 -17.090  -0.551  -4.923
   85   1HB   PRO  10          HB1       PRO  10 -19.236  -0.926  -6.968
   86   2HB   PRO  10          HB2       PRO  10 -19.052   0.343  -5.751
   87   1HG   PRO  10          HG1       PRO  10 -18.461   0.835  -8.292
   88   2HG   PRO  10          HG2       PRO  10 -17.440   1.477  -6.991
   89   1HD   PRO  10          HD2       PRO  10 -16.947  -0.815  -8.835
   90   2HD   PRO  10          HD1       PRO  10 -15.796   0.358  -8.164
   91    H    GLU  11           HN       GLU  11 -17.402  -3.213  -7.159
   92    HA   GLU  11           HA       GLU  11 -19.225  -4.739  -5.576
   93   1HB   GLU  11          HB1       GLU  11 -17.627  -5.165  -8.033
   94   2HB   GLU  11          HB2       GLU  11 -18.028  -6.609  -7.115
   95   1HG   GLU  11          HG2       GLU  11 -20.111  -4.606  -7.908
   96   2HG   GLU  11          HG1       GLU  11 -19.614  -5.916  -8.977
   97    H    LYS  12           HN       LYS  12 -15.712  -4.821  -6.085
   98    HA   LYS  12           HA       LYS  12 -15.272  -6.932  -4.216
   99   1HB   LYS  12          HB2       LYS  12 -13.354  -4.882  -5.344
  100   2HB   LYS  12          HB1       LYS  12 -12.884  -6.308  -4.429
  101   1HG   LYS  12          HG2       LYS  12 -14.551  -7.146  -6.568
  102   2HG   LYS  12          HG1       LYS  12 -13.319  -6.059  -7.214
  103   1HD   LYS  12          HD2       LYS  12 -12.607  -8.293  -5.343
  104   2HD   LYS  12          HD1       LYS  12 -12.770  -8.564  -7.079
  105   1HE   LYS  12          HE2       LYS  12 -10.816  -6.800  -5.633
  106   2HE   LYS  12          HE1       LYS  12 -10.482  -8.143  -6.725
  107   1HZ   LYS  12          HZ1       LYS  12 -11.409  -5.421  -7.386
  108   2HZ   LYS  12          HZ2       LYS  12 -11.651  -6.702  -8.463
  109   3HZ   LYS  12          HZ3       LYS  12 -10.082  -6.268  -8.004
  110    H    LEU  13           HN       LEU  13 -15.373  -3.445  -4.066
  111    HA   LEU  13           HA       LEU  13 -14.160  -2.980  -1.613
  112   1HB   LEU  13          HB1       LEU  13 -16.504  -1.578  -2.892
  113   2HB   LEU  13          HB2       LEU  13 -15.639  -0.971  -1.493
  114    HG   LEU  13           HG       LEU  13 -14.340  -1.489  -4.165
  115   1HD1  LEU  13          HD11      LEU  13 -16.043   0.677  -3.319
  116   2HD1  LEU  13          HD12      LEU  13 -15.326   0.361  -4.899
  117   3HD1  LEU  13          HD13      LEU  13 -14.416   1.253  -3.680
  118   1HD2  LEU  13          HD21      LEU  13 -13.415  -0.568  -1.525
  119   2HD2  LEU  13          HD22      LEU  13 -12.815   0.339  -2.913
  120   3HD2  LEU  13          HD23      LEU  13 -12.542  -1.400  -2.812
  121    H    LYS  14           HN       LYS  14 -17.302  -4.293  -2.354
  122    HA   LYS  14           HA       LYS  14 -18.577  -3.928   0.111
  123   1HB   LYS  14          HB1       LYS  14 -18.961  -5.569  -2.272
  124   2HB   LYS  14          HB2       LYS  14 -19.488  -6.382  -0.805
  125   1HG   LYS  14          HG1       LYS  14 -20.681  -4.084  -0.349
  126   2HG   LYS  14          HG2       LYS  14 -20.551  -3.929  -2.103
  127   1HD   LYS  14          HD1       LYS  14 -21.452  -6.509  -1.771
  128   2HD   LYS  14          HD2       LYS  14 -22.297  -5.625  -0.499
  129   1HE   LYS  14          HE2       LYS  14 -23.111  -4.018  -2.144
  130   2HE   LYS  14          HE1       LYS  14 -22.248  -4.877  -3.420
  131   1HZ   LYS  14          HZ1       LYS  14 -24.356  -6.122  -1.746
  132   2HZ   LYS  14          HZ2       LYS  14 -23.642  -6.761  -3.141
  133   3HZ   LYS  14          HZ3       LYS  14 -24.657  -5.411  -3.251
  134    H    GLU  15           HN       GLU  15 -16.580  -6.618  -1.067
  135    HA   GLU  15           HA       GLU  15 -16.713  -8.018   1.442
  136   1HB   GLU  15          HB1       GLU  15 -16.104  -8.717  -1.166
  137   2HB   GLU  15          HB2       GLU  15 -14.548  -8.809  -0.353
  138   1HG   GLU  15          HG2       GLU  15 -16.861 -10.081   0.987
  139   2HG   GLU  15          HG1       GLU  15 -16.228 -10.855  -0.466
  140    H    LEU  16           HN       LEU  16 -14.245  -6.131  -0.267
  141    HA   LEU  16           HA       LEU  16 -12.407  -6.390   1.971
  142   1HB   LEU  16          HB1       LEU  16 -10.814  -5.209   0.551
  143   2HB   LEU  16          HB2       LEU  16 -11.500  -6.596  -0.272
  144    HG   LEU  16           HG       LEU  16 -13.159  -4.519  -1.032
  145   1HD1  LEU  16          HD21      LEU  16 -10.752  -3.364  -0.111
  146   2HD1  LEU  16          HD22      LEU  16 -12.089  -2.581  -0.955
  147   3HD1  LEU  16          HD23      LEU  16 -10.747  -3.266  -1.872
  148   1HD2  LEU  16          HD11      LEU  16 -12.486  -6.241  -2.522
  149   2HD2  LEU  16          HD12      LEU  16 -10.788  -5.787  -2.380
  150   3HD2  LEU  16          HD13      LEU  16 -11.921  -4.716  -3.204
  151    H    SER  17           HN       SER  17 -15.012  -4.739   1.898
  152    HA   SER  17           HA       SER  17 -14.981  -2.116   1.816
  153   1HB   SER  17          HB2       SER  17 -15.915  -3.842   4.100
  154   2HB   SER  17          HB1       SER  17 -16.185  -2.100   4.096
  155    HG   SER  17           HG       SER  17 -17.416  -4.074   2.641
  156    H    VAL  18           HN       VAL  18 -12.903  -1.226   1.907
  157    HA   VAL  18           HA       VAL  18 -11.171  -1.352   4.110
  158    HB   VAL  18           HB       VAL  18 -10.051   0.585   3.186
  159   1HG1  VAL  18          HG21      VAL  18 -10.389  -1.812   1.917
  160   2HG1  VAL  18          HG22      VAL  18  -9.222  -0.574   1.455
  161   3HG1  VAL  18          HG23      VAL  18 -10.784  -0.660   0.642
  162   1HG2  VAL  18          HG11      VAL  18 -11.298   2.229   2.349
  163   2HG2  VAL  18          HG12      VAL  18 -12.686   1.161   2.136
  164   3HG2  VAL  18          HG13      VAL  18 -11.447   1.257   0.884
  165    H    GLU  19           HN       GLU  19 -14.111   0.358   3.648
  166    HA   GLU  19           HA       GLU  19 -13.886   2.603   5.207
  167   1HB   GLU  19          HB1       GLU  19 -16.326   2.238   5.728
  168   2HB   GLU  19          HB2       GLU  19 -15.915   2.180   4.019
  169   1HG   GLU  19          HG1       GLU  19 -16.834   0.179   3.860
  170   2HG   GLU  19          HG2       GLU  19 -15.695  -0.450   5.052
  171    H    LYS  20           HN       LYS  20 -13.860  -0.707   6.208
  172    HA   LYS  20           HA       LYS  20 -14.236   0.042   9.011
  173   1HB   LYS  20          HB1       LYS  20 -13.909  -2.645   9.111
  174   2HB   LYS  20          HB2       LYS  20 -15.459  -1.849   8.915
  175   1HG   LYS  20          HG2       LYS  20 -15.185  -2.097   6.447
  176   2HG   LYS  20          HG1       LYS  20 -13.743  -3.063   6.766
  177   1HD   LYS  20          HD2       LYS  20 -16.086  -3.911   8.292
  178   2HD   LYS  20          HD1       LYS  20 -16.294  -4.037   6.544
  179   1HE   LYS  20          HE1       LYS  20 -14.767  -5.688   6.347
  180   2HE   LYS  20          HE2       LYS  20 -13.725  -5.015   7.598
  181   1HZ   LYS  20          HZ1       LYS  20 -15.236  -7.218   7.885
  182   2HZ   LYS  20          HZ2       LYS  20 -16.237  -6.042   8.574
  183   3HZ   LYS  20          HZ3       LYS  20 -14.669  -6.271   9.167
  184    H    TRP  21           HN       TRP  21 -11.714  -0.334   6.846
  185    HA   TRP  21           HA       TRP  21  -9.826  -1.385   8.793
  186   1HB   TRP  21          HB2       TRP  21  -9.184  -0.345   6.033
  187   2HB   TRP  21          HB1       TRP  21  -8.240  -1.459   7.014
  188    HD1  TRP  21           HD1      TRP  21 -11.590  -2.773   7.324
  189    HE1  TRP  21           HE1      TRP  21 -12.064  -4.612   5.595
  190    HE3  TRP  21           HE3      TRP  21  -7.674  -1.927   4.143
  191    HZ2  TRP  21           HZ2      TRP  21 -10.924  -5.589   3.205
  192    HZ3  TRP  21           HZ3      TRP  21  -7.435  -3.362   2.158
  193    HH2  TRP  21           HH2      TRP  21  -9.030  -5.155   1.700
  194    HA   PRO  22           HA       PRO  22  -8.366   2.490  10.338
  195   1HB   PRO  22          HB2       PRO  22  -5.630   2.049  10.211
  196   2HB   PRO  22          HB1       PRO  22  -6.678   1.547  11.539
  197   1HG   PRO  22          HG2       PRO  22  -5.648  -0.035   9.232
  198   2HG   PRO  22          HG1       PRO  22  -5.869  -0.528  10.916
  199   1HD   PRO  22          HD1       PRO  22  -7.592  -1.275   8.999
  200   2HD   PRO  22          HD2       PRO  22  -8.149  -0.883  10.641
  201    H    ILE  23           HN       ILE  23  -6.793   4.288   9.758
  202    HA   ILE  23           HA       ILE  23  -6.269   4.367   6.870
  203    HB   ILE  23           HB       ILE  23  -7.497   6.639   8.438
  204   1HG1  ILE  23          HG12      ILE  23  -9.242   6.028   6.419
  205   2HG1  ILE  23          HG11      ILE  23  -8.647   4.431   6.863
  206   1HG2  ILE  23          HG21      ILE  23  -7.791   7.493   6.004
  207   2HG2  ILE  23          HG22      ILE  23  -6.481   6.370   5.639
  208   3HG2  ILE  23          HG23      ILE  23  -6.229   7.670   6.804
  209   1HD1  ILE  23          HD11      ILE  23  -9.443   6.176   9.095
  210   2HD1  ILE  23          HD12      ILE  23  -9.697   4.447   8.850
  211   3HD1  ILE  23          HD13      ILE  23 -10.737   5.616   8.035
  212    H    TRP  24           HN       TRP  24  -4.539   5.665   6.216
  213    HA   TRP  24           HA       TRP  24  -2.833   6.678   8.395
  214   1HB   TRP  24          HB1       TRP  24  -2.251   4.437   7.018
  215   2HB   TRP  24          HB2       TRP  24  -1.516   5.627   5.951
  216    HD1  TRP  24           HD1      TRP  24  -1.495   5.154   9.818
  217    HE1  TRP  24           HE1      TRP  24   0.939   5.387  10.620
  218    HE3  TRP  24           HE3      TRP  24   0.770   5.966   5.308
  219    HZ2  TRP  24           HZ2      TRP  24   3.483   5.853   9.491
  220    HZ3  TRP  24           HZ3      TRP  24   3.208   6.297   5.256
  221    HH2  TRP  24           HH2      TRP  24   4.535   6.241   7.306
  222    H    GLU  25           HN       GLU  25  -2.161   8.708   8.164
  223    HA   GLU  25           HA       GLU  25  -2.414   9.969   5.511
  224   1HB   GLU  25          HB2       GLU  25  -2.348  12.116   7.037
  225   2HB   GLU  25          HB1       GLU  25  -3.846  11.221   6.820
  226   1HG   GLU  25          HG1       GLU  25  -3.786  10.338   8.947
  227   2HG   GLU  25          HG2       GLU  25  -2.044  10.556   9.101
  228    H    LYS  26           HN       LYS  26  -0.597  10.691   4.558
  229    HA   LYS  26           HA       LYS  26   1.724  11.323   6.218
  230   1HB   LYS  26          HB1       LYS  26   1.952   8.950   5.698
  231   2HB   LYS  26          HB2       LYS  26   1.771   9.291   3.983
  232   1HG   LYS  26          HG2       LYS  26   4.045   9.078   4.176
  233   2HG   LYS  26          HG1       LYS  26   3.842  10.823   4.345
  234   1HD   LYS  26          HD2       LYS  26   3.653  10.217   6.901
  235   2HD   LYS  26          HD1       LYS  26   4.551   8.783   6.396
  236   1HE   LYS  26          HE2       LYS  26   6.438   9.949   6.372
  237   2HE   LYS  26          HE1       LYS  26   5.749  11.065   5.193
  238   1HZ   LYS  26          HZ1       LYS  26   6.373  12.359   7.031
  239   2HZ   LYS  26          HZ2       LYS  26   5.699  11.279   8.145
  240   3HZ   LYS  26          HZ3       LYS  26   4.692  12.209   7.153
  241    H    GLU  27           HN       GLU  27   2.779  13.038   5.552
  242    HA   GLU  27           HA       GLU  27   2.074  14.452   3.163
  243   1HB   GLU  27          HB2       GLU  27   4.083  15.882   3.839
  244   2HB   GLU  27          HB1       GLU  27   2.739  15.820   4.970
  245   1HG   GLU  27          HG2       GLU  27   4.605  13.725   5.553
  246   2HG   GLU  27          HG1       GLU  27   5.436  15.278   5.475
  247    H    VAL  28           HN       VAL  28   3.599  15.061   1.514
  248    HA   VAL  28           HA       VAL  28   4.586  12.888   0.134
  249    HB   VAL  28           HB       VAL  28   5.386  14.404  -1.471
  250   1HG1  VAL  28          HG21      VAL  28   3.457  15.532  -1.944
  251   2HG1  VAL  28          HG22      VAL  28   3.230  16.058  -0.277
  252   3HG1  VAL  28          HG23      VAL  28   2.881  14.392  -0.729
  253   1HG2  VAL  28          HG11      VAL  28   5.133  16.949  -0.250
  254   2HG2  VAL  28          HG12      VAL  28   6.573  16.199  -0.940
  255   3HG2  VAL  28          HG13      VAL  28   6.181  15.954   0.761
  256    H    SER  29           HN       SER  29   5.894  12.257   2.381
  257    HA   SER  29           HA       SER  29   8.660  13.193   2.175
  258   1HB   SER  29          HB1       SER  29   7.547  11.342   4.283
  259   2HB   SER  29          HB2       SER  29   9.018  12.312   4.353
  260    HG   SER  29           HG       SER  29   7.560  13.458   5.495
  261    H    GLU  30           HN       GLU  30   9.977  11.010   3.195
  262    HA   GLU  30           HA       GLU  30   9.282   8.646   1.710
  263   1HB   GLU  30          HB1       GLU  30  12.044   9.656   1.163
  264   2HB   GLU  30          HB2       GLU  30  11.062   8.539   0.227
  265   1HG   GLU  30          HG2       GLU  30   9.638  10.398  -0.490
  266   2HG   GLU  30          HG1       GLU  30  10.646  11.514   0.431
  267    H    PHE  31           HN       PHE  31   9.689   6.985   3.000
  268    HA   PHE  31           HA       PHE  31  11.934   7.180   4.893
  269   1HB   PHE  31          HB2       PHE  31  10.328   5.657   6.344
  270   2HB   PHE  31          HB1       PHE  31  10.210   7.413   6.394
  271    HD1  PHE  31           HD1      PHE  31   8.607   4.322   5.323
  272    HD2  PHE  31           HD2      PHE  31   8.358   8.570   5.337
  273    HE1  PHE  31           HE1      PHE  31   6.238   4.182   4.672
  274    HE2  PHE  31           HE2      PHE  31   5.990   8.439   4.689
  275    HZ   PHE  31           HZ       PHE  31   4.927   6.242   4.355
  276    H    ASP  32           HN       ASP  32  12.998   5.245   5.437
  277    HA   ASP  32           HA       ASP  32  12.881   3.189   3.401
  278   1HB   ASP  32          HB2       ASP  32  14.720   2.146   4.811
  279   2HB   ASP  32          HB1       ASP  32  15.080   3.734   4.141
  280    H    TRP  33           HN       TRP  33  12.056   1.126   3.659
  281    HA   TRP  33           HA       TRP  33  10.815   0.543   6.266
  282   1HB   TRP  33          HB2       TRP  33   9.273   1.405   4.359
  283   2HB   TRP  33          HB1       TRP  33   9.471  -0.212   3.689
  284    HD1  TRP  33           HD1      TRP  33   8.581   1.163   7.223
  285    HE1  TRP  33           HE1      TRP  33   6.605  -0.220   8.122
  286    HE3  TRP  33           HE3      TRP  33   7.945  -2.014   3.267
  287    HZ2  TRP  33           HZ2      TRP  33   4.991  -2.371   7.268
  288    HZ3  TRP  33           HZ3      TRP  33   6.161  -3.705   3.388
  289    HH2  TRP  33           HH2      TRP  33   4.716  -3.879   5.348
  290    H    TYR  34           HN       TYR  34  10.866  -1.488   6.988
  291    HA   TYR  34           HA       TYR  34  11.819  -3.631   5.226
  292   1HB   TYR  34          HB2       TYR  34  13.781  -3.000   6.478
  293   2HB   TYR  34          HB1       TYR  34  12.874  -2.981   7.987
  294    HD1  TYR  34           HD1      TYR  34  14.937  -4.925   5.844
  295    HD2  TYR  34           HD2      TYR  34  11.847  -5.224   8.752
  296    HE1  TYR  34           HE1      TYR  34  15.545  -7.273   6.239
  297    HE2  TYR  34           HE2      TYR  34  12.445  -7.575   9.154
  298    HH   TYR  34           HH       TYR  34  14.748  -9.255   7.143
  299    H    TYR  35           HN       TYR  35  10.208  -5.072   5.169
  300    HA   TYR  35           HA       TYR  35   8.399  -5.234   7.439
  301   1HB   TYR  35          HB1       TYR  35   7.762  -4.957   4.918
  302   2HB   TYR  35          HB2       TYR  35   7.994  -6.694   4.854
  303    HD1  TYR  35           HD1      TYR  35   6.626  -5.203   7.923
  304    HD2  TYR  35           HD2      TYR  35   5.692  -6.971   4.167
  305    HE1  TYR  35           HE1      TYR  35   4.322  -5.555   8.671
  306    HE2  TYR  35           HE2      TYR  35   3.390  -7.323   4.904
  307    HH   TYR  35           HH       TYR  35   2.419  -7.231   8.033
  308    H    ASP  36           HN       ASP  36   7.451  -7.379   7.970
  309    HA   ASP  36           HA       ASP  36   9.181  -9.679   7.594
  310   1HB   ASP  36          HB2       ASP  36   9.420 -10.103   9.989
  311   2HB   ASP  36          HB1       ASP  36  10.121  -8.543   9.571
  312    H    THR  37           HN       THR  37   6.456  -8.920   6.823
  313    HA   THR  37           HA       THR  37   5.111 -11.330   7.574
  314    HB   THR  37           HB       THR  37   3.533  -8.931   8.375
  315    HG1  THR  37           HG1      THR  37   5.392  -8.532   9.513
  316   1HG2  THR  37          HG21      THR  37   3.517 -11.807   8.931
  317   2HG2  THR  37          HG22      THR  37   2.189 -10.649   8.847
  318   3HG2  THR  37          HG23      THR  37   3.167 -10.766  10.310
  319    H    ASN  38           HN       ASN  38   2.557 -10.874   6.901
  320    HA   ASN  38           HA       ASN  38   2.749 -10.097   4.093
  321   1HB   ASN  38          HB2       ASN  38   0.409 -11.356   5.541
  322   2HB   ASN  38          HB1       ASN  38   0.637 -11.233   3.798
  323   1HD2  ASN  38          HD21      ASN  38   2.040 -12.621   2.767
  324   2HD2  ASN  38          HD22      ASN  38   2.696 -14.023   3.533
  325    H    GLU  39           HN       GLU  39   1.921  -8.234   3.319
  326    HA   GLU  39           HA       GLU  39  -0.009  -6.783   4.996
  327   1HB   GLU  39          HB1       GLU  39   1.890  -5.560   5.496
  328   2HB   GLU  39          HB2       GLU  39   2.615  -5.824   3.925
  329   1HG   GLU  39          HG2       GLU  39   1.094  -4.208   2.933
  330   2HG   GLU  39          HG1       GLU  39   0.296  -3.985   4.489
  331    H    THR  40           HN       THR  40  -1.536  -5.589   3.983
  332    HA   THR  40           HA       THR  40  -1.510  -5.340   1.078
  333    HB   THR  40           HB       THR  40  -3.741  -6.639   2.656
  334    HG1  THR  40           HG1      THR  40  -2.149  -8.057   1.901
  335   1HG2  THR  40          HG21      THR  40  -5.046  -6.721   0.623
  336   2HG2  THR  40          HG22      THR  40  -3.816  -5.782  -0.224
  337   3HG2  THR  40          HG23      THR  40  -4.731  -5.051   1.094
  338    H    CYS  41           HN       CYS  41  -2.145  -3.270   0.517
  339    HA   CYS  41           HA       CYS  41  -3.711  -1.829   2.559
  340   1HB   CYS  41          HB2       CYS  41  -1.723  -0.159   1.167
  341   2HB   CYS  41          HB1       CYS  41  -2.243  -0.139   2.850
  342    HG   CYS  41           HG       CYS  41  -0.557  -2.159   3.249
  343    H    TYR  42           HN       TYR  42  -4.787   0.092   1.797
  344    HA   TYR  42           HA       TYR  42  -5.366   0.005  -1.091
  345   1HB   TYR  42          HB1       TYR  42  -7.272  -0.945  -0.088
  346   2HB   TYR  42          HB2       TYR  42  -7.207   0.156   1.283
  347    HD1  TYR  42           HD1      TYR  42  -8.687   1.939   1.355
  348    HD2  TYR  42           HD2      TYR  42  -7.748   0.190  -2.408
  349    HE1  TYR  42           HE1      TYR  42 -10.356   3.386   0.272
  350    HE2  TYR  42           HE2      TYR  42  -9.411   1.629  -3.501
  351    HH   TYR  42           HH       TYR  42 -11.224   2.987  -3.099
  352    H    ILE  43           HN       ILE  43  -4.983   1.868  -2.106
  353    HA   ILE  43           HA       ILE  43  -4.431   4.266  -0.569
  354    HB   ILE  43           HB       ILE  43  -4.352   3.866  -3.556
  355   1HG1  ILE  43          HG11      ILE  43  -2.781   2.446  -2.110
  356   2HG1  ILE  43          HG12      ILE  43  -2.045   3.413  -3.384
  357   1HG2  ILE  43          HG21      ILE  43  -3.850   6.168  -1.800
  358   2HG2  ILE  43          HG22      ILE  43  -4.329   6.113  -3.496
  359   3HG2  ILE  43          HG23      ILE  43  -2.638   5.884  -3.051
  360   1HD1  ILE  43          HD11      ILE  43  -0.911   3.374  -1.104
  361   2HD1  ILE  43          HD12      ILE  43  -2.227   4.420  -0.572
  362   3HD1  ILE  43          HD13      ILE  43  -1.156   4.942  -1.873
  363    H    LEU  44           HN       LEU  44  -5.603   6.121  -0.558
  364    HA   LEU  44           HA       LEU  44  -8.219   6.043  -1.913
  365   1HB   LEU  44          HB2       LEU  44  -8.532   5.995   0.454
  366   2HB   LEU  44          HB1       LEU  44  -7.379   7.293   0.697
  367    HG   LEU  44           HG       LEU  44  -9.059   8.706  -0.714
  368   1HD1  LEU  44          HD21      LEU  44 -10.369   6.342  -0.924
  369   2HD1  LEU  44          HD22      LEU  44 -11.128   7.926  -1.087
  370   3HD1  LEU  44          HD23      LEU  44 -11.195   7.070   0.454
  371   1HD2  LEU  44          HD11      LEU  44 -10.381   9.151   1.393
  372   2HD2  LEU  44          HD12      LEU  44  -8.628   9.282   1.534
  373   3HD2  LEU  44          HD13      LEU  44  -9.457   7.847   2.140
  374    H    GLU  45           HN       GLU  45  -5.334   7.880  -1.295
  375    HA   GLU  45           HA       GLU  45  -5.569   9.462  -3.583
  376   1HB   GLU  45          HB2       GLU  45  -6.058  11.655  -2.659
  377   2HB   GLU  45          HB1       GLU  45  -7.391  10.559  -2.319
  378   1HG   GLU  45          HG1       GLU  45  -6.262  10.201  -0.048
  379   2HG   GLU  45          HG2       GLU  45  -5.329  11.645  -0.440
  380    H    GLY  46           HN       GLY  46  -3.453   9.203  -3.958
  381   1HA   GLY  46          HA1       GLY  46  -1.499  10.797  -2.916
  382   2HA   GLY  46          HA2       GLY  46  -1.483   9.376  -1.880
  383    H    LYS  47           HN       LYS  47   0.662  10.196  -3.531
  384    HA   LYS  47           HA       LYS  47   0.696   8.017  -5.504
  385   1HB   LYS  47          HB1       LYS  47   1.057  10.743  -5.961
  386   2HB   LYS  47          HB2       LYS  47   2.684  10.077  -5.966
  387   1HG   LYS  47          HG1       LYS  47   1.428   8.266  -7.501
  388   2HG   LYS  47          HG2       LYS  47   0.481   9.708  -7.873
  389   1HD   LYS  47          HD2       LYS  47   2.114  10.082  -9.387
  390   2HD   LYS  47          HD1       LYS  47   3.008  10.691  -7.991
  391   1HE   LYS  47          HE2       LYS  47   4.120   8.592  -7.700
  392   2HE   LYS  47          HE1       LYS  47   3.098   7.824  -8.915
  393   1HZ   LYS  47          HZ1       LYS  47   4.617  10.146  -9.791
  394   2HZ   LYS  47          HZ2       LYS  47   4.287   8.698 -10.601
  395   3HZ   LYS  47          HZ3       LYS  47   5.518   8.757  -9.442
  396    H    VAL  48           HN       VAL  48   2.027   6.440  -5.006
  397    HA   VAL  48           HA       VAL  48   4.422   7.088  -3.427
  398    HB   VAL  48           HB       VAL  48   2.392   4.922  -3.021
  399   1HG1  VAL  48          HG21      VAL  48   5.242   4.774  -2.022
  400   2HG1  VAL  48          HG22      VAL  48   4.499   3.692  -3.201
  401   3HG1  VAL  48          HG23      VAL  48   3.924   3.709  -1.533
  402   1HG2  VAL  48          HG11      VAL  48   3.700   6.035  -0.697
  403   2HG2  VAL  48          HG12      VAL  48   1.988   5.993  -1.121
  404   3HG2  VAL  48          HG13      VAL  48   3.017   7.286  -1.736
  405    H    GLU  49           HN       GLU  49   6.284   6.002  -3.862
  406    HA   GLU  49           HA       GLU  49   6.280   4.187  -6.179
  407   1HB   GLU  49          HB1       GLU  49   8.452   6.169  -5.457
  408   2HB   GLU  49          HB2       GLU  49   8.451   5.083  -6.841
  409   1HG   GLU  49          HG1       GLU  49   6.307   6.285  -7.547
  410   2HG   GLU  49          HG2       GLU  49   6.764   7.511  -6.364
  411    H    VAL  50           HN       VAL  50   6.661   2.218  -5.387
  412    HA   VAL  50           HA       VAL  50   8.367   1.938  -3.028
  413    HB   VAL  50           HB       VAL  50   6.496  -0.041  -4.337
  414   1HG1  VAL  50          HG11      VAL  50   8.400  -0.288  -2.060
  415   2HG1  VAL  50          HG12      VAL  50   7.974  -1.458  -3.310
  416   3HG1  VAL  50          HG13      VAL  50   6.859  -1.143  -1.980
  417   1HG2  VAL  50          HG21      VAL  50   6.225   1.499  -1.759
  418   2HG2  VAL  50          HG22      VAL  50   5.071   0.332  -2.404
  419   3HG2  VAL  50          HG23      VAL  50   5.364   1.847  -3.259
  420    H    THR  51           HN       THR  51  10.246   0.875  -3.004
  421    HA   THR  51           HA       THR  51  11.075  -0.586  -5.415
  422    HB   THR  51           HB       THR  51  12.911   1.156  -3.759
  423    HG1  THR  51           HG1      THR  51  11.845   2.650  -4.839
  424   1HG2  THR  51          HG21      THR  51  13.550  -0.880  -5.500
  425   2HG2  THR  51          HG22      THR  51  14.612   0.423  -4.970
  426   3HG2  THR  51          HG23      THR  51  13.709   0.580  -6.477
  427    H    THR  52           HN       THR  52  11.315  -2.652  -4.860
  428    HA   THR  52           HA       THR  52  11.772  -3.380  -2.101
  429    HB   THR  52           HB       THR  52  11.175  -5.564  -2.707
  430    HG1  THR  52           HG1      THR  52  11.627  -6.451  -4.589
  431   1HG2  THR  52          HG21      THR  52   9.365  -3.831  -3.144
  432   2HG2  THR  52          HG22      THR  52   9.163  -5.432  -3.855
  433   3HG2  THR  52          HG23      THR  52   9.712  -4.087  -4.854
  434    H    GLU  53           HN       GLU  53  13.309  -5.311  -1.739
  435    HA   GLU  53           HA       GLU  53  15.946  -4.397  -2.336
  436   1HB   GLU  53          HB1       GLU  53  15.132  -5.577  -0.211
  437   2HB   GLU  53          HB2       GLU  53  15.242  -7.069  -1.132
  438   1HG   GLU  53          HG1       GLU  53  17.684  -5.908  -1.579
  439   2HG   GLU  53          HG2       GLU  53  17.337  -5.464   0.091
  440    H    ASP  54           HN       ASP  54  14.183  -7.391  -3.144
  441    HA   ASP  54           HA       ASP  54  16.060  -8.680  -4.659
  442   1HB   ASP  54          HB1       ASP  54  13.076  -8.502  -5.117
  443   2HB   ASP  54          HB2       ASP  54  14.127  -9.644  -5.949
  444    H    GLY  55           HN       GLY  55  14.270  -5.819  -5.484
  445   1HA   GLY  55          HA2       GLY  55  15.408  -4.377  -7.140
  446   2HA   GLY  55          HA1       GLY  55  15.597  -5.818  -8.126
  447    H    LYS  56           HN       LYS  56  12.630  -5.389  -6.405
  448    HA   LYS  56           HA       LYS  56  11.243  -5.050  -8.950
  449   1HB   LYS  56          HB1       LYS  56  10.017  -5.541  -6.233
  450   2HB   LYS  56          HB2       LYS  56   9.261  -5.759  -7.805
  451   1HG   LYS  56          HG1       LYS  56  11.635  -7.353  -6.879
  452   2HG   LYS  56          HG2       LYS  56   9.961  -7.865  -6.653
  453   1HD   LYS  56          HD1       LYS  56   9.619  -7.771  -9.086
  454   2HD   LYS  56          HD2       LYS  56  11.306  -7.298  -9.295
  455   1HE   LYS  56          HE1       LYS  56  11.670  -9.497  -9.543
  456   2HE   LYS  56          HE2       LYS  56  11.563  -9.542  -7.784
  457   1HZ   LYS  56          HZ1       LYS  56   9.049  -9.731  -9.235
  458   2HZ   LYS  56          HZ2       LYS  56   9.558 -10.541  -7.840
  459   3HZ   LYS  56          HZ3       LYS  56  10.083 -11.064  -9.360
  460    H    LYS  57           HN       LYS  57   9.101  -3.717  -8.666
  461    HA   LYS  57           HA       LYS  57   9.355  -1.387  -7.001
  462   1HB   LYS  57          HB2       LYS  57  10.550  -1.281  -9.518
  463   2HB   LYS  57          HB1       LYS  57   9.008  -0.463  -9.731
  464   1HG   LYS  57          HG2       LYS  57   9.521   1.128  -8.048
  465   2HG   LYS  57          HG1       LYS  57  10.936   0.211  -7.525
  466   1HD   LYS  57          HD2       LYS  57  10.661   1.365 -10.292
  467   2HD   LYS  57          HD1       LYS  57  11.396   2.248  -8.951
  468   1HE   LYS  57          HE1       LYS  57  12.592  -0.285  -8.945
  469   2HE   LYS  57          HE2       LYS  57  12.529   0.209 -10.636
  470   1HZ   LYS  57          HZ1       LYS  57  14.195   1.175  -8.537
  471   2HZ   LYS  57          HZ2       LYS  57  13.360   2.441  -9.285
  472   3HZ   LYS  57          HZ3       LYS  57  14.330   1.407 -10.207
  473    H    TYR  58           HN       TYR  58   7.404  -0.357  -6.688
  474    HA   TYR  58           HA       TYR  58   5.150  -1.185  -8.369
  475   1HB   TYR  58          HB2       TYR  58   4.774  -1.097  -5.399
  476   2HB   TYR  58          HB1       TYR  58   3.841  -1.961  -6.615
  477    HD1  TYR  58           HD1      TYR  58   5.315  -3.787  -7.941
  478    HD2  TYR  58           HD2      TYR  58   6.077  -2.370  -4.003
  479    HE1  TYR  58           HE1      TYR  58   6.578  -5.841  -7.452
  480    HE2  TYR  58           HE2      TYR  58   7.341  -4.418  -3.502
  481    HH   TYR  58           HH       TYR  58   8.587  -6.168  -4.774
  482    H    VAL  59           HN       VAL  59   4.207   0.581  -9.100
  483    HA   VAL  59           HA       VAL  59   4.144   2.976  -7.387
  484    HB   VAL  59           HB       VAL  59   5.260   3.376  -9.517
  485   1HG1  VAL  59          HG21      VAL  59   4.594   2.479 -11.437
  486   2HG1  VAL  59          HG22      VAL  59   2.995   3.206 -11.281
  487   3HG1  VAL  59          HG23      VAL  59   3.326   1.637 -10.546
  488   1HG2  VAL  59          HG11      VAL  59   4.404   5.409  -9.236
  489   2HG2  VAL  59          HG12      VAL  59   2.886   4.753  -8.623
  490   3HG2  VAL  59          HG13      VAL  59   3.124   4.949 -10.360
  491    H    ILE  60           HN       ILE  60   2.265   3.247  -6.382
  492    HA   ILE  60           HA       ILE  60  -0.215   2.615  -7.828
  493    HB   ILE  60           HB       ILE  60  -1.191   1.775  -5.701
  494   1HG1  ILE  60          HG11      ILE  60   1.392   1.125  -4.503
  495   2HG1  ILE  60          HG12      ILE  60   1.097   2.859  -4.553
  496   1HG2  ILE  60          HG21      ILE  60  -0.514  -0.374  -6.099
  497   2HG2  ILE  60          HG22      ILE  60   1.186   0.072  -6.255
  498   3HG2  ILE  60          HG23      ILE  60   0.060   0.412  -7.569
  499   1HD1  ILE  60          HD11      ILE  60   0.082   0.941  -2.741
  500   2HD1  ILE  60          HD12      ILE  60  -1.274   1.602  -3.656
  501   3HD1  ILE  60          HD13      ILE  60  -0.193   2.682  -2.775
  502    H    GLU  61           HN       GLU  61  -1.553   4.290  -7.899
  503    HA   GLU  61           HA       GLU  61  -1.597   6.169  -5.655
  504   1HB   GLU  61          HB2       GLU  61  -0.110   7.123  -7.363
  505   2HB   GLU  61          HB1       GLU  61  -1.392   6.989  -8.557
  506   1HG   GLU  61          HG2       GLU  61  -2.559   8.412  -6.502
  507   2HG   GLU  61          HG1       GLU  61  -0.914   9.036  -6.564
  508    H    LYS  62           HN       LYS  62  -3.516   6.944  -5.127
  509    HA   LYS  62           HA       LYS  62  -5.774   7.043  -4.952
  510   1HB   LYS  62          HB1       LYS  62  -4.985   8.387  -7.192
  511   2HB   LYS  62          HB2       LYS  62  -6.212   7.311  -7.846
  512   1HG   LYS  62          HG2       LYS  62  -6.505   9.458  -5.781
  513   2HG   LYS  62          HG1       LYS  62  -7.381   9.244  -7.296
  514   1HD   LYS  62          HD1       LYS  62  -8.403   7.179  -6.333
  515   2HD   LYS  62          HD2       LYS  62  -7.636   7.578  -4.795
  516   1HE   LYS  62          HE2       LYS  62  -8.861   9.632  -4.648
  517   2HE   LYS  62          HE1       LYS  62  -9.531   9.398  -6.262
  518   1HZ   LYS  62          HZ1       LYS  62 -11.138   8.799  -4.581
  519   2HZ   LYS  62          HZ2       LYS  62 -10.062   7.692  -3.889
  520   3HZ   LYS  62          HZ3       LYS  62 -10.675   7.417  -5.442
  521    H    GLY  63           HN       GLY  63  -6.969   5.376  -4.439
  522   1HA   GLY  63          HA1       GLY  63  -8.192   3.440  -4.578
  523   2HA   GLY  63          HA2       GLY  63  -8.492   3.926  -6.237
  524    H    ASP  64           HN       ASP  64  -5.614   2.761  -4.506
  525    HA   ASP  64           HA       ASP  64  -5.535   0.458  -6.321
  526   1HB   ASP  64          HB2       ASP  64  -3.257   2.356  -5.742
  527   2HB   ASP  64          HB1       ASP  64  -3.022   0.758  -6.437
  528    H    LEU  65           HN       LEU  65  -4.851  -1.429  -5.395
  529    HA   LEU  65           HA       LEU  65  -3.762  -1.286  -2.689
  530   1HB   LEU  65          HB2       LEU  65  -5.336  -2.603  -1.704
  531   2HB   LEU  65          HB1       LEU  65  -6.332  -1.808  -2.893
  532    HG   LEU  65           HG       LEU  65  -5.220  -4.603  -3.065
  533   1HD1  LEU  65          HD21      LEU  65  -7.835  -4.933  -3.247
  534   2HD1  LEU  65          HD22      LEU  65  -7.841  -3.423  -2.334
  535   3HD1  LEU  65          HD23      LEU  65  -7.017  -4.843  -1.687
  536   1HD2  LEU  65          HD11      LEU  65  -7.124  -4.284  -5.040
  537   2HD2  LEU  65          HD12      LEU  65  -5.380  -4.392  -5.268
  538   3HD2  LEU  65          HD13      LEU  65  -6.155  -2.816  -5.130
  539    H    VAL  66           HN       VAL  66  -2.275  -2.847  -2.160
  540    HA   VAL  66           HA       VAL  66  -1.764  -4.923  -4.147
  541    HB   VAL  66           HB       VAL  66   0.480  -4.405  -4.469
  542   1HG1  VAL  66          HG11      VAL  66   0.428  -1.957  -5.160
  543   2HG1  VAL  66          HG12      VAL  66  -1.215  -1.937  -4.521
  544   3HG1  VAL  66          HG13      VAL  66  -0.800  -3.012  -5.851
  545   1HG2  VAL  66          HG21      VAL  66   0.255  -2.442  -2.221
  546   2HG2  VAL  66          HG22      VAL  66   1.621  -2.506  -3.336
  547   3HG2  VAL  66          HG23      VAL  66   1.260  -3.891  -2.303
  548    H    THR  67           HN       THR  67  -0.525  -6.690  -3.447
  549    HA   THR  67           HA       THR  67  -0.726  -7.201  -0.597
  550    HB   THR  67           HB       THR  67   0.065  -8.918  -2.953
  551    HG1  THR  67           HG1      THR  67  -2.121  -9.142  -1.167
  552   1HG2  THR  67          HG21      THR  67  -0.089 -10.836  -1.362
  553   2HG2  THR  67          HG22      THR  67  -0.011  -9.665  -0.046
  554   3HG2  THR  67          HG23      THR  67   1.338  -9.817  -1.171
  555    H    PHE  68           HN       PHE  68   1.137  -8.193   0.538
  556    HA   PHE  68           HA       PHE  68   3.754  -7.385  -0.464
  557   1HB   PHE  68          HB1       PHE  68   2.513  -6.415   2.105
  558   2HB   PHE  68          HB2       PHE  68   4.250  -6.380   1.824
  559    HD1  PHE  68           HD1      PHE  68   1.044  -4.868   1.023
  560    HD2  PHE  68           HD2      PHE  68   5.205  -4.886   0.137
  561    HE1  PHE  68           HE1      PHE  68   0.807  -2.700  -0.114
  562    HE2  PHE  68           HE2      PHE  68   4.976  -2.719  -1.002
  563    HZ   PHE  68           HZ       PHE  68   2.780  -1.609  -1.106
  564    HA   PRO  69           HA       PRO  69   4.622 -11.266   1.530
  565   1HB   PRO  69          HB1       PRO  69   7.132 -11.581   0.709
  566   2HB   PRO  69          HB2       PRO  69   5.800 -11.577  -0.451
  567   1HG   PRO  69          HG1       PRO  69   7.731  -9.395   0.224
  568   2HG   PRO  69          HG2       PRO  69   7.112  -9.891  -1.361
  569   1HD   PRO  69          HD2       PRO  69   6.143  -7.764   0.136
  570   2HD   PRO  69          HD1       PRO  69   5.254  -8.588  -1.158
  571    H    LYS  70           HN       LYS  70   5.810 -12.175   3.225
  572    HA   LYS  70           HA       LYS  70   6.647 -10.418   5.289
  573   1HB   LYS  70          HB1       LYS  70   5.767 -12.529   5.950
  574   2HB   LYS  70          HB2       LYS  70   6.862 -13.404   4.890
  575   1HG   LYS  70          HG1       LYS  70   8.593 -13.301   6.356
  576   2HG   LYS  70          HG2       LYS  70   8.071 -11.760   7.039
  577   1HD   LYS  70          HD1       LYS  70   7.754 -13.415   8.719
  578   2HD   LYS  70          HD2       LYS  70   6.156 -12.993   8.099
  579   1HE   LYS  70          HE2       LYS  70   6.236 -14.977   6.633
  580   2HE   LYS  70          HE1       LYS  70   7.790 -15.412   7.344
  581   1HZ   LYS  70          HZ1       LYS  70   5.913 -16.614   8.335
  582   2HZ   LYS  70          HZ2       LYS  70   5.254 -15.148   8.864
  583   3HZ   LYS  70          HZ3       LYS  70   6.741 -15.676   9.474
  584    H    GLY  71           HN       GLY  71   8.590  -9.622   5.780
  585   1HA   GLY  71          HA2       GLY  71  10.959  -9.544   5.812
  586   2HA   GLY  71          HA1       GLY  71  10.988 -10.734   4.517
  587    H    LEU  72           HN       LEU  72   8.692  -8.843   3.407
  588    HA   LEU  72           HA       LEU  72   9.949  -7.709   1.307
  589   1HB   LEU  72          HB2       LEU  72   7.575  -7.692   1.442
  590   2HB   LEU  72          HB1       LEU  72   7.592  -6.742   2.914
  591    HG   LEU  72           HG       LEU  72   6.889  -5.571   0.773
  592   1HD1  LEU  72          HD11      LEU  72   7.870  -4.590   3.017
  593   2HD1  LEU  72          HD12      LEU  72   7.501  -3.565   1.631
  594   3HD1  LEU  72          HD13      LEU  72   9.162  -4.075   1.934
  595   1HD2  LEU  72          HD21      LEU  72   8.623  -4.756  -0.687
  596   2HD2  LEU  72          HD22      LEU  72   8.678  -6.518  -0.636
  597   3HD2  LEU  72          HD23      LEU  72   9.856  -5.572   0.272
  598    H    ARG  73           HN       ARG  73  11.660  -6.400   1.199
  599    HA   ARG  73           HA       ARG  73  11.824  -4.199   3.152
  600   1HB   ARG  73          HB1       ARG  73  13.669  -5.873   3.326
  601   2HB   ARG  73          HB2       ARG  73  14.126  -5.486   1.672
  602   1HG   ARG  73          HG1       ARG  73  14.105  -3.018   2.793
  603   2HG   ARG  73          HG2       ARG  73  14.610  -4.014   4.159
  604   1HD   ARG  73          HD1       ARG  73  16.403  -4.973   2.806
  605   2HD   ARG  73          HD2       ARG  73  15.898  -3.988   1.434
  606    HE   ARG  73           HE       ARG  73  16.351  -2.137   3.323
  607   1HH1  ARG  73          HH21      ARG  73  18.244  -4.833   2.194
  608   2HH1  ARG  73          HH22      ARG  73  19.764  -4.074   2.534
  609   1HH2  ARG  73          HH12      ARG  73  18.343  -1.129   3.775
  610   2HH2  ARG  73          HH11      ARG  73  19.819  -1.968   3.434
  611    H    CYS  74           HN       CYS  74  11.205  -2.376   2.234
  612    HA   CYS  74           HA       CYS  74  12.394  -1.569  -0.294
  613   1HB   CYS  74          HB2       CYS  74  10.277  -1.037  -1.357
  614   2HB   CYS  74          HB1       CYS  74  10.301  -2.744  -0.924
  615    HG   CYS  74           HG       CYS  74   8.772  -0.738   0.884
  616    H    ARG  75           HN       ARG  75  12.047   0.704  -0.784
  617    HA   ARG  75           HA       ARG  75  11.805   2.283   1.673
  618   1HB   ARG  75          HB1       ARG  75  13.805   2.398   0.009
  619   2HB   ARG  75          HB2       ARG  75  12.717   3.363  -0.979
  620   1HG   ARG  75          HG1       ARG  75  12.633   4.370   1.674
  621   2HG   ARG  75          HG2       ARG  75  14.322   4.182   1.201
  622   1HD   ARG  75          HD1       ARG  75  12.997   5.281  -1.020
  623   2HD   ARG  75          HD2       ARG  75  12.419   6.167   0.390
  624    HE   ARG  75           HE       ARG  75  14.957   6.409  -0.811
  625   1HH1  ARG  75          HH12      ARG  75  13.436   6.280   2.318
  626   2HH1  ARG  75          HH11      ARG  75  14.659   7.228   3.096
  627   1HH2  ARG  75          HH21      ARG  75  16.574   7.658   0.203
  628   2HH2  ARG  75          HH22      ARG  75  16.443   8.012   1.893
  629    H    TRP  76           HN       TRP  76   9.998   3.395   2.053
  630    HA   TRP  76           HA       TRP  76   8.047   3.683  -0.090
  631   1HB   TRP  76          HB1       TRP  76   7.912   3.983   2.899
  632   2HB   TRP  76          HB2       TRP  76   6.611   4.562   1.866
  633    HD1  TRP  76           HD1      TRP  76   8.568   1.210   2.175
  634    HE1  TRP  76           HE1      TRP  76   6.860  -0.708   2.011
  635    HE3  TRP  76           HE3      TRP  76   4.311   3.968   1.543
  636    HZ2  TRP  76           HZ2      TRP  76   4.076  -1.011   1.659
  637    HZ3  TRP  76           HZ3      TRP  76   2.166   2.788   1.300
  638    HH2  TRP  76           HH2      TRP  76   2.052   0.349   1.358
  639    H    LYS  77           HN       LYS  77   7.497   5.536  -1.035
  640    HA   LYS  77           HA       LYS  77   8.275   8.080   0.172
  641   1HB   LYS  77          HB1       LYS  77   8.779   8.120  -2.692
  642   2HB   LYS  77          HB2       LYS  77   9.795   8.677  -1.374
  643   1HG   LYS  77          HG2       LYS  77  10.862   6.617  -1.159
  644   2HG   LYS  77          HG1       LYS  77   9.595   5.767  -2.047
  645   1HD   LYS  77          HD2       LYS  77  10.309   7.295  -4.021
  646   2HD   LYS  77          HD1       LYS  77  11.789   7.520  -3.087
  647   1HE   LYS  77          HE1       LYS  77  11.754   4.912  -2.956
  648   2HE   LYS  77          HE2       LYS  77  10.710   5.051  -4.371
  649   1HZ   LYS  77          HZ1       LYS  77  13.482   5.161  -4.295
  650   2HZ   LYS  77          HZ2       LYS  77  12.960   6.722  -4.686
  651   3HZ   LYS  77          HZ3       LYS  77  12.477   5.406  -5.633
  652    H    VAL  78           HN       VAL  78   6.744   9.643  -0.119
  653    HA   VAL  78           HA       VAL  78   4.598   8.975  -2.009
  654    HB   VAL  78           HB       VAL  78   3.101  10.386  -0.595
  655   1HG1  VAL  78          HG21      VAL  78   4.196   7.747   0.044
  656   2HG1  VAL  78          HG22      VAL  78   2.519   8.267  -0.138
  657   3HG1  VAL  78          HG23      VAL  78   3.367   8.533   1.387
  658   1HG2  VAL  78          HG11      VAL  78   3.802  11.461   1.190
  659   2HG2  VAL  78          HG12      VAL  78   5.447  11.114   0.656
  660   3HG2  VAL  78          HG13      VAL  78   4.653  10.046   1.816
  661    H    LEU  79           HN       LEU  79   4.355  10.254  -3.671
  662    HA   LEU  79           HA       LEU  79   5.787  12.777  -3.797
  663   1HB   LEU  79          HB2       LEU  79   4.015  11.978  -6.020
  664   2HB   LEU  79          HB1       LEU  79   5.659  12.585  -6.061
  665    HG   LEU  79           HG       LEU  79   4.734   9.753  -5.616
  666   1HD1  LEU  79          HD11      LEU  79   6.680  10.902  -7.605
  667   2HD1  LEU  79          HD12      LEU  79   4.966  10.636  -7.934
  668   3HD1  LEU  79          HD13      LEU  79   6.016   9.268  -7.568
  669   1HD2  LEU  79          HD21      LEU  79   7.460   9.633  -5.631
  670   2HD2  LEU  79          HD22      LEU  79   6.441   9.528  -4.195
  671   3HD2  LEU  79          HD23      LEU  79   7.155  11.072  -4.659
  672    H    GLU  80           HN       GLU  80   2.992  12.011  -2.413
  673    HA   GLU  80           HA       GLU  80   1.881  14.625  -2.583
  674   1HB   GLU  80          HB2       GLU  80   0.768  12.397  -4.217
  675   2HB   GLU  80          HB1       GLU  80  -0.358  13.531  -3.481
  676   1HG   GLU  80          HG1       GLU  80   1.541  15.161  -4.644
  677   2HG   GLU  80          HG2       GLU  80   1.351  13.845  -5.800
  678    HA   PRO  81           HA       PRO  81   0.235  13.643   1.427
  679   1HB   PRO  81          HB2       PRO  81  -2.331  14.575   0.179
  680   2HB   PRO  81          HB1       PRO  81  -1.658  14.955   1.771
  681   1HG   PRO  81          HG2       PRO  81  -1.428  16.702  -0.212
  682   2HG   PRO  81          HG1       PRO  81  -0.070  16.420   0.889
  683   1HD   PRO  81          HD2       PRO  81  -0.435  15.546  -1.933
  684   2HD   PRO  81          HD1       PRO  81   1.056  15.943  -1.055
  685    H    VAL  82           HN       VAL  82   0.049  11.535   1.850
  686    HA   VAL  82           HA       VAL  82  -1.635   9.918   0.117
  687    HB   VAL  82           HB       VAL  82   0.955   9.606   1.015
  688   1HG1  VAL  82          HG21      VAL  82  -0.015   8.765   3.203
  689   2HG1  VAL  82          HG22      VAL  82   1.158   7.725   2.395
  690   3HG1  VAL  82          HG23      VAL  82  -0.563   7.356   2.295
  691   1HG2  VAL  82          HG11      VAL  82  -1.005   7.833  -0.365
  692   2HG2  VAL  82          HG12      VAL  82   0.622   7.251  -0.009
  693   3HG2  VAL  82          HG13      VAL  82   0.399   8.685  -1.012
  694    H    ARG  83           HN       ARG  83  -3.349   8.820   0.722
  695    HA   ARG  83           HA       ARG  83  -3.940   8.456   3.567
  696   1HB   ARG  83          HB2       ARG  83  -5.423  10.102   1.705
  697   2HB   ARG  83          HB1       ARG  83  -6.424   8.788   2.308
  698   1HG   ARG  83          HG1       ARG  83  -6.784  10.590   3.768
  699   2HG   ARG  83          HG2       ARG  83  -5.712   9.485   4.632
  700   1HD   ARG  83          HD1       ARG  83  -4.281  11.155   4.922
  701   2HD   ARG  83          HD2       ARG  83  -4.052  11.225   3.175
  702    HE   ARG  83           HE       ARG  83  -6.385  12.640   4.009
  703   1HH1  ARG  83          HH11      ARG  83  -2.918  12.845   3.756
  704   2HH1  ARG  83          HH12      ARG  83  -2.896  14.574   3.659
  705   1HH2  ARG  83          HH21      ARG  83  -6.367  14.920   3.882
  706   2HH2  ARG  83          HH22      ARG  83  -4.856  15.754   3.730
  707    H    LYS  84           HN       LYS  84  -3.859   6.278   3.775
  708    HA   LYS  84           HA       LYS  84  -5.324   4.691   1.782
  709   1HB   LYS  84          HB2       LYS  84  -3.544   3.249   1.379
  710   2HB   LYS  84          HB1       LYS  84  -2.761   4.816   1.460
  711   1HG   LYS  84          HG1       LYS  84  -2.442   4.158   3.986
  712   2HG   LYS  84          HG2       LYS  84  -2.631   2.524   3.344
  713   1HD   LYS  84          HD1       LYS  84  -0.516   2.546   2.661
  714   2HD   LYS  84          HD2       LYS  84  -0.863   3.936   1.630
  715   1HE   LYS  84          HE1       LYS  84  -0.391   5.450   3.466
  716   2HE   LYS  84          HE2       LYS  84  -0.124   4.085   4.550
  717   1HZ   LYS  84          HZ1       LYS  84   1.916   5.175   3.573
  718   2HZ   LYS  84          HZ2       LYS  84   1.480   4.478   2.094
  719   3HZ   LYS  84          HZ3       LYS  84   1.827   3.492   3.424
  720    H    HIS  85           HN       HIS  85  -5.926   2.576   2.419
  721    HA   HIS  85           HA       HIS  85  -6.386   2.327   5.305
  722   1HB   HIS  85          HB1       HIS  85  -7.739   1.013   2.941
  723   2HB   HIS  85          HB2       HIS  85  -8.088   0.611   4.619
  724    HD1  HIS  85           HD1      HIS  85 -10.320   1.587   5.079
  725    HD2  HIS  85           HD2      HIS  85  -7.868   4.212   2.991
  726    HE1  HIS  85           HE1      HIS  85 -11.621   3.734   4.916
  727    HE2  HIS  85           HE2      HIS  85 -10.118   5.310   3.648
  728    H    TYR  86           HN       TYR  86  -6.254   0.052   6.178
  729    HA   TYR  86           HA       TYR  86  -3.950  -1.302   4.934
  730   1HB   TYR  86          HB2       TYR  86  -4.670  -0.870   7.819
  731   2HB   TYR  86          HB1       TYR  86  -3.458  -2.043   7.323
  732    HD1  TYR  86           HD1      TYR  86  -4.004   1.272   8.341
  733    HD2  TYR  86           HD2      TYR  86  -1.585  -1.081   5.756
  734    HE1  TYR  86           HE1      TYR  86  -2.313   3.050   8.317
  735    HE2  TYR  86           HE2      TYR  86   0.115   0.684   5.721
  736    HH   TYR  86           HH       TYR  86  -0.455   3.816   7.200
  737    H    ASN  87           HN       ASN  87  -3.692  -3.567   5.398
  738    HA   ASN  87           HA       ASN  87  -5.895  -5.120   6.369
  739   1HB   ASN  87          HB2       ASN  87  -6.163  -4.376   3.750
  740   2HB   ASN  87          HB1       ASN  87  -5.309  -5.908   3.589
  741   1HD2  ASN  87          HD22      ASN  87  -7.004  -7.019   2.722
  742   2HD2  ASN  87          HD21      ASN  87  -8.432  -7.418   3.610
  743    H    LEU  88           HN       LEU  88  -3.669  -5.302   7.542
  744    HA   LEU  88           HA       LEU  88  -1.810  -7.128   6.276
  745   1HB   LEU  88          HB1       LEU  88  -1.716  -6.334   9.165
  746   2HB   LEU  88          HB2       LEU  88  -0.392  -6.748   8.096
  747    HG   LEU  88           HG       LEU  88  -1.986  -4.280   7.539
  748   1HD1  LEU  88          HD11      LEU  88  -0.844  -4.696  10.026
  749   2HD1  LEU  88          HD12      LEU  88  -1.269  -3.142   9.310
  750   3HD1  LEU  88          HD13      LEU  88   0.369  -3.770   9.142
  751   1HD2  LEU  88          HD21      LEU  88  -0.279  -5.122   5.957
  752   2HD2  LEU  88          HD22      LEU  88   0.939  -4.923   7.215
  753   3HD2  LEU  88          HD23      LEU  88   0.082  -3.515   6.586
  754    H    PHE  89           HN       PHE  89  -1.668  -9.264   6.597
  755    HA   PHE  89           HA       PHE  89  -3.589 -10.479   8.466
  756   1HB   PHE  89          HB2       PHE  89  -2.270 -11.947   6.196
  757   2HB   PHE  89          HB1       PHE  89  -3.778 -12.322   7.023
  758    HD1  PHE  89           HD1      PHE  89  -5.614 -10.412   6.814
  759    HD2  PHE  89           HD2      PHE  89  -2.399 -11.034   4.096
  760    HE1  PHE  89           HE1      PHE  89  -6.873  -9.232   5.059
  761    HE2  PHE  89           HE2      PHE  89  -3.652  -9.855   2.337
  762    HZ   PHE  89           HZ       PHE  89  -5.891  -8.956   2.815
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1   9.393 -11.655  -6.131
    2   2H    MET   1          HT2       MET   1   8.240 -10.810  -7.080
    3   3H    MET   1          HT3       MET   1   8.250 -12.526  -7.067
    4    HA   MET   1           HA       MET   1   7.644 -12.556  -4.786
    5   1HB   MET   1          HB1       MET   1   7.918  -9.578  -5.136
    6   2HB   MET   1          HB2       MET   1   6.941 -10.259  -3.843
    7   1HG   MET   1          HG1       MET   1   8.760 -10.427  -2.605
    8   2HG   MET   1          HG2       MET   1   9.406 -11.596  -3.755
    9   1HE   MET   1          HE1       MET   1   9.054  -8.038  -2.639
   10   2HE   MET   1          HE2       MET   1  10.530  -7.238  -3.180
   11   3HE   MET   1          HE3       MET   1  10.605  -8.474  -1.924
   12    H    GLU   2           HN       GLU   2   5.383 -11.598  -3.950
   13    HA   GLU   2           HA       GLU   2   3.575 -11.843  -6.251
   14   1HB   GLU   2          HB1       GLU   2   3.641 -13.282  -3.931
   15   2HB   GLU   2          HB2       GLU   2   2.437 -12.061  -3.545
   16   1HG   GLU   2          HG1       GLU   2   1.485 -12.755  -5.904
   17   2HG   GLU   2          HG2       GLU   2   2.352 -14.249  -5.547
   18    H    VAL   3           HN       VAL   3   4.601  -9.351  -6.027
   19    HA   VAL   3           HA       VAL   3   2.690  -7.723  -4.531
   20    HB   VAL   3           HB       VAL   3   4.834  -6.520  -6.231
   21   1HG1  VAL   3          HG21      VAL   3   3.502  -4.899  -5.234
   22   2HG1  VAL   3          HG22      VAL   3   4.881  -5.012  -4.141
   23   3HG1  VAL   3          HG23      VAL   3   3.361  -5.803  -3.726
   24   1HG2  VAL   3          HG11      VAL   3   6.059  -6.734  -3.798
   25   2HG2  VAL   3          HG12      VAL   3   6.402  -7.749  -5.200
   26   3HG2  VAL   3          HG13      VAL   3   5.281  -8.310  -3.959
   27    H    LYS   4           HN       LYS   4   0.828  -7.251  -5.506
   28    HA   LYS   4           HA       LYS   4   0.853  -6.836  -8.421
   29   1HB   LYS   4          HB1       LYS   4  -1.350  -7.683  -8.544
   30   2HB   LYS   4          HB2       LYS   4  -0.482  -8.783  -7.485
   31   1HG   LYS   4          HG2       LYS   4  -1.714  -6.689  -5.946
   32   2HG   LYS   4          HG1       LYS   4  -2.901  -7.483  -6.980
   33   1HD   LYS   4          HD1       LYS   4  -2.008  -9.678  -6.111
   34   2HD   LYS   4          HD2       LYS   4  -1.103  -8.738  -4.923
   35   1HE   LYS   4          HE2       LYS   4  -3.078  -7.920  -3.918
   36   2HE   LYS   4          HE1       LYS   4  -4.076  -8.467  -5.263
   37   1HZ   LYS   4          HZ1       LYS   4  -2.566 -10.514  -3.845
   38   2HZ   LYS   4          HZ2       LYS   4  -4.128 -10.573  -4.492
   39   3HZ   LYS   4          HZ3       LYS   4  -3.857  -9.814  -3.005
   40    H    ILE   5           HN       ILE   5  -0.552  -5.241  -9.307
   41    HA   ILE   5           HA       ILE   5  -1.266  -3.086  -7.424
   42    HB   ILE   5           HB       ILE   5  -0.475  -2.614 -10.288
   43   1HG1  ILE   5          HG11      ILE   5   1.472  -3.582  -9.258
   44   2HG1  ILE   5          HG12      ILE   5   1.717  -1.843  -9.360
   45   1HG2  ILE   5          HG21      ILE   5  -1.447  -0.990  -8.110
   46   2HG2  ILE   5          HG22      ILE   5  -1.252  -0.587  -9.816
   47   3HG2  ILE   5          HG23      ILE   5   0.105  -0.402  -8.705
   48   1HD1  ILE   5          HD11      ILE   5   2.438  -2.213  -7.244
   49   2HD1  ILE   5          HD12      ILE   5   1.334  -3.562  -6.982
   50   3HD1  ILE   5          HD13      ILE   5   0.733  -1.906  -6.922
   51    H    GLU   6           HN       GLU   6  -3.399  -2.798  -7.336
   52    HA   GLU   6           HA       GLU   6  -4.968  -2.854  -9.783
   53   1HB   GLU   6          HB1       GLU   6  -5.318  -4.841  -7.552
   54   2HB   GLU   6          HB2       GLU   6  -6.656  -4.408  -8.606
   55   1HG   GLU   6          HG1       GLU   6  -4.024  -5.546  -9.524
   56   2HG   GLU   6          HG2       GLU   6  -5.513  -6.464  -9.308
   57    H    LYS   7           HN       LYS   7  -7.043  -1.926  -9.589
   58    HA   LYS   7           HA       LYS   7  -7.380  -0.277  -7.175
   59   1HB   LYS   7          HB1       LYS   7  -8.205   0.233 -10.032
   60   2HB   LYS   7          HB2       LYS   7  -8.761   1.209  -8.678
   61   1HG   LYS   7          HG1       LYS   7  -6.977   2.484  -8.998
   62   2HG   LYS   7          HG2       LYS   7  -6.003   1.143  -8.390
   63   1HD   LYS   7          HD2       LYS   7  -5.446   0.411 -10.521
   64   2HD   LYS   7          HD1       LYS   7  -6.818   1.233 -11.268
   65   1HE   LYS   7          HE2       LYS   7  -4.514   2.686  -9.988
   66   2HE   LYS   7          HE1       LYS   7  -4.561   2.264 -11.700
   67   1HZ   LYS   7          HZ1       LYS   7  -5.359   4.571 -11.010
   68   2HZ   LYS   7          HZ2       LYS   7  -6.753   3.795 -10.448
   69   3HZ   LYS   7          HZ3       LYS   7  -6.330   3.695 -12.083
   70    HA   PRO   8           HA       PRO   8 -10.714  -3.348  -6.702
   71   1HB   PRO   8          HB1       PRO   8 -11.570  -2.096  -4.327
   72   2HB   PRO   8          HB2       PRO   8 -10.524  -3.510  -4.460
   73   1HG   PRO   8          HG2       PRO   8  -9.814  -0.659  -4.023
   74   2HG   PRO   8          HG1       PRO   8  -8.995  -2.122  -3.447
   75   1HD   PRO   8          HD2       PRO   8  -7.997  -0.648  -5.442
   76   2HD   PRO   8          HD1       PRO   8  -7.853  -2.415  -5.434
   77    H    THR   9           HN       THR   9 -12.586  -3.191  -7.695
   78    HA   THR   9           HA       THR   9 -13.857  -0.591  -8.046
   79    HB   THR   9           HB       THR   9 -13.834  -1.705 -10.089
   80    HG1  THR   9           HG1      THR   9 -15.967  -2.244 -10.506
   81   1HG2  THR   9          HG21      THR   9 -14.900  -4.157 -10.074
   82   2HG2  THR   9          HG22      THR   9 -14.107  -4.163  -8.499
   83   3HG2  THR   9          HG23      THR   9 -13.168  -3.844  -9.958
   84    HA   PRO  10           HA       PRO  10 -17.128  -0.693  -5.115
   85   1HB   PRO  10          HB1       PRO  10 -19.261  -0.967  -7.020
   86   2HB   PRO  10          HB2       PRO  10 -18.752   0.483  -6.154
   87   1HG   PRO  10          HG2       PRO  10 -18.084  -0.410  -8.891
   88   2HG   PRO  10          HG1       PRO  10 -18.106   1.227  -8.214
   89   1HD   PRO  10          HD2       PRO  10 -15.800  -0.011  -8.783
   90   2HD   PRO  10          HD1       PRO  10 -15.956   1.038  -7.358
   91    H    GLU  11           HN       GLU  11 -17.170  -3.054  -7.733
   92    HA   GLU  11           HA       GLU  11 -18.967  -4.866  -6.479
   93   1HB   GLU  11          HB1       GLU  11 -17.293  -4.819  -8.882
   94   2HB   GLU  11          HB2       GLU  11 -17.422  -6.416  -8.158
   95   1HG   GLU  11          HG2       GLU  11 -19.980  -5.839  -8.111
   96   2HG   GLU  11          HG1       GLU  11 -19.526  -4.712  -9.389
   97    H    LYS  12           HN       LYS  12 -15.418  -4.753  -6.713
   98    HA   LYS  12           HA       LYS  12 -15.078  -7.039  -5.012
   99   1HB   LYS  12          HB2       LYS  12 -13.173  -4.968  -6.099
  100   2HB   LYS  12          HB1       LYS  12 -12.654  -6.238  -4.999
  101   1HG   LYS  12          HG1       LYS  12 -14.026  -7.618  -6.948
  102   2HG   LYS  12          HG2       LYS  12 -13.195  -6.346  -7.848
  103   1HD   LYS  12          HD1       LYS  12 -11.655  -7.837  -5.789
  104   2HD   LYS  12          HD2       LYS  12 -12.026  -8.659  -7.307
  105   1HE   LYS  12          HE1       LYS  12 -11.130  -6.495  -8.411
  106   2HE   LYS  12          HE2       LYS  12 -10.387  -6.197  -6.840
  107   1HZ   LYS  12          HZ1       LYS  12  -9.250  -8.317  -7.009
  108   2HZ   LYS  12          HZ2       LYS  12  -8.877  -7.342  -8.338
  109   3HZ   LYS  12          HZ3       LYS  12  -9.972  -8.619  -8.508
  110    H    LEU  13           HN       LEU  13 -15.275  -3.593  -4.623
  111    HA   LEU  13           HA       LEU  13 -14.118  -3.307  -2.100
  112   1HB   LEU  13          HB1       LEU  13 -16.337  -1.767  -3.439
  113   2HB   LEU  13          HB2       LEU  13 -15.609  -1.280  -1.920
  114    HG   LEU  13           HG       LEU  13 -14.004  -1.645  -4.443
  115   1HD1  LEU  13          HD11      LEU  13 -15.333   0.074  -5.154
  116   2HD1  LEU  13          HD12      LEU  13 -14.100   0.982  -4.280
  117   3HD1  LEU  13          HD13      LEU  13 -15.656   0.649  -3.519
  118   1HD2  LEU  13          HD21      LEU  13 -13.500  -0.540  -1.715
  119   2HD2  LEU  13          HD22      LEU  13 -12.599   0.086  -3.096
  120   3HD2  LEU  13          HD23      LEU  13 -12.509  -1.627  -2.688
  121    H    LYS  14           HN       LYS  14 -17.272  -4.488  -3.043
  122    HA   LYS  14           HA       LYS  14 -18.625  -4.181  -0.609
  123   1HB   LYS  14          HB2       LYS  14 -19.007  -5.645  -3.083
  124   2HB   LYS  14          HB1       LYS  14 -19.535  -6.593  -1.699
  125   1HG   LYS  14          HG1       LYS  14 -20.626  -4.167  -1.137
  126   2HG   LYS  14          HG2       LYS  14 -20.704  -4.195  -2.900
  127   1HD   LYS  14          HD1       LYS  14 -21.925  -6.260  -2.875
  128   2HD   LYS  14          HD2       LYS  14 -21.705  -6.420  -1.131
  129   1HE   LYS  14          HE1       LYS  14 -22.875  -4.000  -1.233
  130   2HE   LYS  14          HE2       LYS  14 -23.591  -4.743  -2.663
  131   1HZ   LYS  14          HZ1       LYS  14 -24.236  -6.636  -1.224
  132   2HZ   LYS  14          HZ2       LYS  14 -24.989  -5.180  -0.804
  133   3HZ   LYS  14          HZ3       LYS  14 -23.697  -5.764   0.121
  134    H    GLU  15           HN       GLU  15 -16.759  -6.944  -1.843
  135    HA   GLU  15           HA       GLU  15 -16.885  -8.317   0.699
  136   1HB   GLU  15          HB2       GLU  15 -16.860  -9.634  -1.343
  137   2HB   GLU  15          HB1       GLU  15 -15.338  -8.902  -1.833
  138   1HG   GLU  15          HG1       GLU  15 -14.285 -10.576  -0.857
  139   2HG   GLU  15          HG2       GLU  15 -14.865  -9.982   0.699
  140    H    LEU  16           HN       LEU  16 -14.767  -6.162  -0.973
  141    HA   LEU  16           HA       LEU  16 -12.573  -6.583   0.894
  142   1HB   LEU  16          HB2       LEU  16 -12.875  -5.016  -1.651
  143   2HB   LEU  16          HB1       LEU  16 -11.508  -4.761  -0.584
  144    HG   LEU  16           HG       LEU  16 -12.229  -7.402  -1.859
  145   1HD1  LEU  16          HD21      LEU  16 -10.346  -7.037  -3.322
  146   2HD1  LEU  16          HD22      LEU  16 -10.007  -5.487  -2.551
  147   3HD1  LEU  16          HD23      LEU  16 -11.487  -5.703  -3.486
  148   1HD2  LEU  16          HD11      LEU  16  -9.522  -7.100  -0.915
  149   2HD2  LEU  16          HD12      LEU  16 -10.711  -8.351  -0.546
  150   3HD2  LEU  16          HD13      LEU  16 -10.682  -6.858   0.393
  151    H    SER  17           HN       SER  17 -15.273  -5.226   1.461
  152    HA   SER  17           HA       SER  17 -15.525  -2.646   1.723
  153   1HB   SER  17          HB1       SER  17 -15.692  -4.415   4.174
  154   2HB   SER  17          HB2       SER  17 -16.553  -2.899   3.911
  155    HG   SER  17           HG       SER  17 -17.573  -5.116   3.414
  156    H    VAL  18           HN       VAL  18 -13.742  -1.384   1.613
  157    HA   VAL  18           HA       VAL  18 -11.746  -1.488   3.730
  158    HB   VAL  18           HB       VAL  18 -11.777   0.531   1.508
  159   1HG1  VAL  18          HG11      VAL  18  -9.266  -0.701   2.320
  160   2HG1  VAL  18          HG12      VAL  18 -10.105   0.106   3.645
  161   3HG1  VAL  18          HG13      VAL  18  -9.703   1.001   2.182
  162   1HG2  VAL  18          HG21      VAL  18 -10.575  -0.998   0.077
  163   2HG2  VAL  18          HG22      VAL  18 -12.130  -1.705   0.510
  164   3HG2  VAL  18          HG23      VAL  18 -10.657  -2.263   1.303
  165    H    GLU  19           HN       GLU  19 -14.409  -0.682   4.444
  166    HA   GLU  19           HA       GLU  19 -13.980   2.140   5.156
  167   1HB   GLU  19          HB1       GLU  19 -16.479   2.149   5.562
  168   2HB   GLU  19          HB2       GLU  19 -15.982   1.982   3.883
  169   1HG   GLU  19          HG1       GLU  19 -17.085   0.077   3.690
  170   2HG   GLU  19          HG2       GLU  19 -16.241  -0.608   5.080
  171    H    LYS  20           HN       LYS  20 -14.200  -1.052   6.327
  172    HA   LYS  20           HA       LYS  20 -14.863  -0.233   9.042
  173   1HB   LYS  20          HB2       LYS  20 -14.132  -3.006   8.870
  174   2HB   LYS  20          HB1       LYS  20 -15.685  -2.300   9.282
  175   1HG   LYS  20          HG2       LYS  20 -15.929  -2.054   6.689
  176   2HG   LYS  20          HG1       LYS  20 -14.703  -3.324   6.665
  177   1HD   LYS  20          HD2       LYS  20 -16.959  -3.762   8.509
  178   2HD   LYS  20          HD1       LYS  20 -17.356  -3.794   6.790
  179   1HE   LYS  20          HE2       LYS  20 -16.442  -5.805   6.549
  180   2HE   LYS  20          HE1       LYS  20 -14.936  -5.265   7.291
  181   1HZ   LYS  20          HZ1       LYS  20 -17.161  -6.714   8.459
  182   2HZ   LYS  20          HZ2       LYS  20 -16.491  -5.506   9.435
  183   3HZ   LYS  20          HZ3       LYS  20 -15.516  -6.756   8.848
  184    H    TRP  21           HN       TRP  21 -12.112  -0.543   7.124
  185    HA   TRP  21           HA       TRP  21 -10.364  -1.388   9.282
  186   1HB   TRP  21          HB2       TRP  21  -9.351  -0.359   6.659
  187   2HB   TRP  21          HB1       TRP  21  -8.687  -1.616   7.691
  188    HD1  TRP  21           HD1      TRP  21 -11.944  -2.913   7.545
  189    HE1  TRP  21           HE1      TRP  21 -12.324  -4.486   5.544
  190    HE3  TRP  21           HE3      TRP  21  -7.939  -1.556   4.670
  191    HZ2  TRP  21           HZ2      TRP  21 -11.086  -5.081   3.078
  192    HZ3  TRP  21           HZ3      TRP  21  -7.606  -2.676   2.505
  193    HH2  TRP  21           HH2      TRP  21  -9.150  -4.402   1.725
  194    HA   PRO  22           HA       PRO  22  -8.975   2.708  10.258
  195   1HB   PRO  22          HB2       PRO  22  -6.304   2.379  10.671
  196   2HB   PRO  22          HB1       PRO  22  -7.539   1.779  11.775
  197   1HG   PRO  22          HG1       PRO  22  -5.794   0.298   9.955
  198   2HG   PRO  22          HG2       PRO  22  -6.706  -0.282  11.348
  199   1HD   PRO  22          HD2       PRO  22  -7.357  -0.530   8.566
  200   2HD   PRO  22          HD1       PRO  22  -8.267  -1.138   9.961
  201    H    ILE  23           HN       ILE  23  -8.015   4.608   9.524
  202    HA   ILE  23           HA       ILE  23  -6.848   4.445   6.826
  203    HB   ILE  23           HB       ILE  23  -9.009   5.697   7.062
  204   1HG1  ILE  23          HG11      ILE  23  -7.011   7.741   6.257
  205   2HG1  ILE  23          HG12      ILE  23  -6.908   6.179   5.450
  206   1HG2  ILE  23          HG21      ILE  23  -9.230   7.623   8.292
  207   2HG2  ILE  23          HG22      ILE  23  -7.496   7.947   8.295
  208   3HG2  ILE  23          HG23      ILE  23  -8.158   6.684   9.331
  209   1HD1  ILE  23          HD11      ILE  23  -8.517   6.809   4.082
  210   2HD1  ILE  23          HD12      ILE  23  -8.682   8.338   4.946
  211   3HD1  ILE  23          HD13      ILE  23  -9.622   6.934   5.452
  212    H    TRP  24           HN       TRP  24  -5.026   5.709   6.318
  213    HA   TRP  24           HA       TRP  24  -3.571   6.746   8.663
  214   1HB   TRP  24          HB1       TRP  24  -2.690   4.580   7.730
  215   2HB   TRP  24          HB2       TRP  24  -2.318   5.443   6.243
  216    HD1  TRP  24           HD1      TRP  24  -1.597   6.364   9.952
  217    HE1  TRP  24           HE1      TRP  24   0.908   6.920  10.148
  218    HE3  TRP  24           HE3      TRP  24  -0.182   5.455   5.124
  219    HZ2  TRP  24           HZ2      TRP  24   3.183   6.967   8.477
  220    HZ3  TRP  24           HZ3      TRP  24   2.176   5.779   4.505
  221    HH2  TRP  24           HH2      TRP  24   3.823   6.520   6.148
  222    H    GLU  25           HN       GLU  25  -2.038   8.429   8.258
  223    HA   GLU  25           HA       GLU  25  -2.561   9.969   5.803
  224   1HB   GLU  25          HB2       GLU  25  -2.199  11.080   8.596
  225   2HB   GLU  25          HB1       GLU  25  -2.393  12.037   7.134
  226   1HG   GLU  25          HG1       GLU  25  -4.599  10.488   7.005
  227   2HG   GLU  25          HG2       GLU  25  -4.392  10.618   8.751
  228    H    LYS  26           HN       LYS  26  -0.769  10.511   4.703
  229    HA   LYS  26           HA       LYS  26   1.770  10.735   6.132
  230   1HB   LYS  26          HB1       LYS  26   1.448   8.369   5.258
  231   2HB   LYS  26          HB2       LYS  26   1.548   9.051   3.641
  232   1HG   LYS  26          HG2       LYS  26   3.683   8.127   4.368
  233   2HG   LYS  26          HG1       LYS  26   3.787   9.869   4.098
  234   1HD   LYS  26          HD2       LYS  26   3.042   9.303   6.824
  235   2HD   LYS  26          HD1       LYS  26   4.533   8.459   6.397
  236   1HE   LYS  26          HE2       LYS  26   5.715  10.358   6.324
  237   2HE   LYS  26          HE1       LYS  26   4.455  11.207   5.433
  238   1HZ   LYS  26          HZ1       LYS  26   4.713  10.869   8.359
  239   2HZ   LYS  26          HZ2       LYS  26   3.251  11.326   7.640
  240   3HZ   LYS  26          HZ3       LYS  26   4.619  12.306   7.471
  241    H    GLU  27           HN       GLU  27   2.917  12.397   5.477
  242    HA   GLU  27           HA       GLU  27   2.058  13.949   3.194
  243   1HB   GLU  27          HB2       GLU  27   3.910  15.503   3.969
  244   2HB   GLU  27          HB1       GLU  27   2.593  15.246   5.105
  245   1HG   GLU  27          HG1       GLU  27   3.891  13.960   6.524
  246   2HG   GLU  27          HG2       GLU  27   5.070  13.586   5.268
  247    H    VAL  28           HN       VAL  28   3.661  14.777   1.628
  248    HA   VAL  28           HA       VAL  28   4.870  12.710   0.188
  249    HB   VAL  28           HB       VAL  28   5.457  15.665   0.032
  250   1HG1  VAL  28          HG11      VAL  28   6.631  15.335  -1.863
  251   2HG1  VAL  28          HG12      VAL  28   5.626  13.982  -2.377
  252   3HG1  VAL  28          HG13      VAL  28   6.897  13.731  -1.187
  253   1HG2  VAL  28          HG21      VAL  28   3.205  15.595  -0.361
  254   2HG2  VAL  28          HG22      VAL  28   3.256  13.952  -1.004
  255   3HG2  VAL  28          HG23      VAL  28   3.817  15.303  -1.990
  256    H    SER  29           HN       SER  29   6.037  11.934   2.319
  257    HA   SER  29           HA       SER  29   8.688  13.138   2.600
  258   1HB   SER  29          HB1       SER  29   6.931  11.987   4.437
  259   2HB   SER  29          HB2       SER  29   8.196  10.776   4.228
  260    HG   SER  29           HG       SER  29   9.672  12.152   4.999
  261    H    GLU  30           HN       GLU  30   9.979  10.730   3.441
  262    HA   GLU  30           HA       GLU  30   9.893   8.920   1.159
  263   1HB   GLU  30          HB2       GLU  30  12.247  10.615   1.939
  264   2HB   GLU  30          HB1       GLU  30  12.508   9.025   1.234
  265   1HG   GLU  30          HG1       GLU  30  12.283   9.903  -0.777
  266   2HG   GLU  30          HG2       GLU  30  10.617  10.330  -0.390
  267    H    PHE  31           HN       PHE  31  10.002   6.843   1.904
  268    HA   PHE  31           HA       PHE  31  11.072   6.508   4.630
  269   1HB   PHE  31          HB1       PHE  31   8.601   5.387   3.339
  270   2HB   PHE  31          HB2       PHE  31   9.317   4.624   4.755
  271    HD1  PHE  31           HD1      PHE  31   9.200   5.659   6.918
  272    HD2  PHE  31           HD2      PHE  31   7.587   7.589   3.486
  273    HE1  PHE  31           HE1      PHE  31   8.000   7.237   8.374
  274    HE2  PHE  31           HE2      PHE  31   6.385   9.172   4.936
  275    HZ   PHE  31           HZ       PHE  31   6.591   8.995   7.385
  276    H    ASP  32           HN       ASP  32  12.432   4.946   5.054
  277    HA   ASP  32           HA       ASP  32  12.970   2.888   3.013
  278   1HB   ASP  32          HB1       ASP  32  14.867   4.520   3.646
  279   2HB   ASP  32          HB2       ASP  32  14.890   3.692   5.201
  280    H    TRP  33           HN       TRP  33  11.356   1.528   3.780
  281    HA   TRP  33           HA       TRP  33  11.539   0.718   6.594
  282   1HB   TRP  33          HB2       TRP  33   9.459   1.775   6.075
  283   2HB   TRP  33          HB1       TRP  33   9.255   0.798   4.626
  284    HD1  TRP  33           HD1      TRP  33   9.433   0.181   8.466
  285    HE1  TRP  33           HE1      TRP  33   7.771  -1.705   9.023
  286    HE3  TRP  33           HE3      TRP  33   7.814  -0.885   3.742
  287    HZ2  TRP  33           HZ2      TRP  33   6.005  -3.421   7.634
  288    HZ3  TRP  33           HZ3      TRP  33   6.141  -2.656   3.437
  289    HH2  TRP  33           HH2      TRP  33   5.257  -3.899   5.344
  290    H    TYR  34           HN       TYR  34  10.924  -1.433   7.172
  291    HA   TYR  34           HA       TYR  34  11.498  -3.475   5.130
  292   1HB   TYR  34          HB2       TYR  34  13.439  -3.458   6.487
  293   2HB   TYR  34          HB1       TYR  34  12.508  -3.236   7.962
  294    HD1  TYR  34           HD1      TYR  34  13.278  -5.701   5.297
  295    HD2  TYR  34           HD2      TYR  34  11.845  -5.081   9.252
  296    HE1  TYR  34           HE1      TYR  34  13.328  -8.128   5.688
  297    HE2  TYR  34           HE2      TYR  34  11.890  -7.507   9.656
  298    HH   TYR  34           HH       TYR  34  13.226  -9.515   8.653
  299    H    TYR  35           HN       TYR  35  10.145  -5.255   5.133
  300    HA   TYR  35           HA       TYR  35   7.655  -4.943   6.530
  301   1HB   TYR  35          HB2       TYR  35   8.551  -6.301   4.204
  302   2HB   TYR  35          HB1       TYR  35   7.830  -7.497   5.262
  303    HD1  TYR  35           HD1      TYR  35   7.201  -4.852   2.940
  304    HD2  TYR  35           HD2      TYR  35   5.487  -7.086   6.124
  305    HE1  TYR  35           HE1      TYR  35   4.960  -4.152   2.217
  306    HE2  TYR  35           HE2      TYR  35   3.245  -6.397   5.414
  307    HH   TYR  35           HH       TYR  35   2.165  -5.617   3.223
  308    H    ASP  36           HN       ASP  36   6.609  -6.761   7.679
  309    HA   ASP  36           HA       ASP  36   8.260  -8.754   8.921
  310   1HB   ASP  36          HB1       ASP  36   8.471  -6.367  10.144
  311   2HB   ASP  36          HB2       ASP  36   7.021  -6.966  10.944
  312    H    THR  37           HN       THR  37   5.765  -8.532   7.381
  313    HA   THR  37           HA       THR  37   4.257 -10.533   8.483
  314    HB   THR  37           HB       THR  37   3.440  -9.446  10.333
  315    HG1  THR  37           HG1      THR  37   1.427  -9.476   9.829
  316   1HG2  THR  37          HG21      THR  37   2.679  -6.965  10.150
  317   2HG2  THR  37          HG22      THR  37   3.814  -6.928   8.801
  318   3HG2  THR  37          HG23      THR  37   4.376  -7.365  10.415
  319    H    ASN  38           HN       ASN  38   2.061 -10.738   7.495
  320    HA   ASN  38           HA       ASN  38   2.157  -9.832   4.747
  321   1HB   ASN  38          HB1       ASN  38   1.055 -12.062   6.109
  322   2HB   ASN  38          HB2       ASN  38  -0.293 -11.189   5.387
  323   1HD2  ASN  38          HD22      ASN  38   3.043 -11.651   4.293
  324   2HD2  ASN  38          HD21      ASN  38   2.629 -12.396   2.791
  325    H    GLU  39           HN       GLU  39   1.440  -7.853   4.289
  326    HA   GLU  39           HA       GLU  39  -1.002  -6.924   5.644
  327   1HB   GLU  39          HB1       GLU  39   0.653  -5.582   6.585
  328   2HB   GLU  39          HB2       GLU  39   1.578  -5.505   5.099
  329   1HG   GLU  39          HG2       GLU  39   0.283  -3.827   4.208
  330   2HG   GLU  39          HG1       GLU  39  -1.105  -4.216   5.223
  331    H    THR  40           HN       THR  40  -2.433  -5.669   4.494
  332    HA   THR  40           HA       THR  40  -1.976  -5.285   1.633
  333    HB   THR  40           HB       THR  40  -4.421  -6.624   2.813
  334    HG1  THR  40           HG1      THR  40  -2.497  -7.557   0.954
  335   1HG2  THR  40          HG21      THR  40  -3.898  -5.641   0.032
  336   2HG2  THR  40          HG22      THR  40  -5.274  -5.298   1.079
  337   3HG2  THR  40          HG23      THR  40  -5.069  -6.910   0.395
  338    H    CYS  41           HN       CYS  41  -2.221  -3.166   1.320
  339    HA   CYS  41           HA       CYS  41  -4.192  -1.734   2.978
  340   1HB   CYS  41          HB2       CYS  41  -2.595   0.275   2.315
  341   2HB   CYS  41          HB1       CYS  41  -2.250  -0.754   3.700
  342    HG   CYS  41           HG       CYS  41  -0.566  -2.051   2.004
  343    H    TYR  42           HN       TYR  42  -5.128   0.184   2.008
  344    HA   TYR  42           HA       TYR  42  -5.302   0.053  -0.926
  345   1HB   TYR  42          HB1       TYR  42  -7.333  -0.897  -0.357
  346   2HB   TYR  42          HB2       TYR  42  -7.431  -0.018   1.163
  347    HD1  TYR  42           HD1      TYR  42  -8.447   2.183   1.271
  348    HD2  TYR  42           HD2      TYR  42  -8.101   0.120  -2.431
  349    HE1  TYR  42           HE1      TYR  42 -10.028   3.765   0.247
  350    HE2  TYR  42           HE2      TYR  42  -9.675   1.692  -3.467
  351    HH   TYR  42           HH       TYR  42 -11.294   3.274  -2.972
  352    H    ILE  43           HN       ILE  43  -4.907   1.947  -1.898
  353    HA   ILE  43           HA       ILE  43  -4.464   4.304  -0.291
  354    HB   ILE  43           HB       ILE  43  -4.353   4.017  -3.291
  355   1HG1  ILE  43          HG12      ILE  43  -1.804   4.396  -2.054
  356   2HG1  ILE  43          HG11      ILE  43  -2.615   3.046  -1.263
  357   1HG2  ILE  43          HG21      ILE  43  -2.993   6.087  -3.172
  358   2HG2  ILE  43          HG22      ILE  43  -3.406   6.214  -1.463
  359   3HG2  ILE  43          HG23      ILE  43  -4.673   6.317  -2.687
  360   1HD1  ILE  43          HD11      ILE  43  -1.211   2.333  -3.127
  361   2HD1  ILE  43          HD12      ILE  43  -2.178   3.322  -4.224
  362   3HD1  ILE  43          HD13      ILE  43  -2.907   1.951  -3.394
  363    H    LEU  44           HN       LEU  44  -5.596   6.202  -0.294
  364    HA   LEU  44           HA       LEU  44  -8.251   6.122  -1.565
  365   1HB   LEU  44          HB2       LEU  44  -8.519   6.010   0.799
  366   2HB   LEU  44          HB1       LEU  44  -7.360   7.297   1.059
  367    HG   LEU  44           HG       LEU  44  -8.942   8.885  -0.023
  368   1HD1  LEU  44          HD21      LEU  44 -11.113   6.870   0.263
  369   2HD1  LEU  44          HD22      LEU  44 -10.114   6.846  -1.190
  370   3HD1  LEU  44          HD23      LEU  44 -11.023   8.297  -0.769
  371   1HD2  LEU  44          HD11      LEU  44 -10.114   9.267   1.910
  372   2HD2  LEU  44          HD12      LEU  44  -8.832   8.213   2.506
  373   3HD2  LEU  44          HD13      LEU  44 -10.436   7.554   2.185
  374    H    GLU  45           HN       GLU  45  -5.291   7.833  -1.287
  375    HA   GLU  45           HA       GLU  45  -5.752   9.546  -3.404
  376   1HB   GLU  45          HB2       GLU  45  -5.998  11.735  -2.234
  377   2HB   GLU  45          HB1       GLU  45  -7.412  10.700  -2.093
  378   1HG   GLU  45          HG1       GLU  45  -6.343   9.966   0.148
  379   2HG   GLU  45          HG2       GLU  45  -5.404  11.451  -0.015
  380    H    GLY  46           HN       GLY  46  -3.687   9.442  -4.038
  381   1HA   GLY  46          HA2       GLY  46  -1.659  10.990  -3.209
  382   2HA   GLY  46          HA1       GLY  46  -1.534   9.633  -2.101
  383    H    LYS  47           HN       LYS  47   0.644   9.882  -3.417
  384    HA   LYS  47           HA       LYS  47   0.585   7.717  -5.374
  385   1HB   LYS  47          HB1       LYS  47   0.759  10.374  -6.192
  386   2HB   LYS  47          HB2       LYS  47   2.423   9.803  -6.224
  387   1HG   LYS  47          HG1       LYS  47   1.125   7.745  -7.431
  388   2HG   LYS  47          HG2       LYS  47   0.165   9.129  -7.955
  389   1HD   LYS  47          HD1       LYS  47   1.734   9.222  -9.583
  390   2HD   LYS  47          HD2       LYS  47   2.623  10.120  -8.352
  391   1HE   LYS  47          HE2       LYS  47   3.807   8.122  -7.692
  392   2HE   LYS  47          HE1       LYS  47   2.848   7.149  -8.807
  393   1HZ   LYS  47          HZ1       LYS  47   5.185   7.926  -9.511
  394   2HZ   LYS  47          HZ2       LYS  47   4.438   9.412  -9.819
  395   3HZ   LYS  47          HZ3       LYS  47   3.923   8.021 -10.633
  396    H    VAL  48           HN       VAL  48   2.068   6.274  -4.840
  397    HA   VAL  48           HA       VAL  48   4.554   7.209  -3.564
  398    HB   VAL  48           HB       VAL  48   2.803   4.907  -2.721
  399   1HG1  VAL  48          HG21      VAL  48   4.847   3.802  -2.671
  400   2HG1  VAL  48          HG22      VAL  48   4.737   4.478  -1.045
  401   3HG1  VAL  48          HG23      VAL  48   5.743   5.266  -2.260
  402   1HG2  VAL  48          HG11      VAL  48   4.115   6.816  -0.860
  403   2HG2  VAL  48          HG12      VAL  48   2.546   6.018  -0.743
  404   3HG2  VAL  48          HG13      VAL  48   2.759   7.390  -1.830
  405    H    GLU  49           HN       GLU  49   6.423   6.237  -4.170
  406    HA   GLU  49           HA       GLU  49   6.249   4.202  -6.295
  407   1HB   GLU  49          HB1       GLU  49   8.568   6.091  -5.909
  408   2HB   GLU  49          HB2       GLU  49   8.197   5.100  -7.313
  409   1HG   GLU  49          HG1       GLU  49   6.400   6.494  -7.942
  410   2HG   GLU  49          HG2       GLU  49   6.421   7.340  -6.396
  411    H    VAL  50           HN       VAL  50   6.783   2.273  -5.498
  412    HA   VAL  50           HA       VAL  50   8.648   2.138  -3.245
  413    HB   VAL  50           HB       VAL  50   6.763   0.051  -4.345
  414   1HG1  VAL  50          HG11      VAL  50   8.742  -0.023  -2.095
  415   2HG1  VAL  50          HG12      VAL  50   8.481  -1.196  -3.387
  416   3HG1  VAL  50          HG13      VAL  50   7.304  -1.045  -2.080
  417   1HG2  VAL  50          HG21      VAL  50   6.143   0.740  -1.688
  418   2HG2  VAL  50          HG22      VAL  50   5.201   1.069  -3.143
  419   3HG2  VAL  50          HG23      VAL  50   6.372   2.253  -2.564
  420    H    THR  51           HN       THR  51  10.551   1.119  -3.310
  421    HA   THR  51           HA       THR  51  11.267  -0.389  -5.730
  422    HB   THR  51           HB       THR  51  13.367   1.171  -4.284
  423    HG1  THR  51           HG1      THR  51  12.464   2.975  -4.803
  424   1HG2  THR  51          HG21      THR  51  13.257   1.088  -7.215
  425   2HG2  THR  51          HG22      THR  51  13.530  -0.459  -6.411
  426   3HG2  THR  51          HG23      THR  51  14.622   0.894  -6.115
  427    H    THR  52           HN       THR  52  11.606  -2.432  -5.156
  428    HA   THR  52           HA       THR  52  12.176  -3.109  -2.412
  429    HB   THR  52           HB       THR  52  11.951  -5.438  -3.177
  430    HG1  THR  52           HG1      THR  52  11.662  -5.906  -5.303
  431   1HG2  THR  52          HG21      THR  52   9.720  -5.412  -3.331
  432   2HG2  THR  52          HG22      THR  52   9.713  -4.229  -4.639
  433   3HG2  THR  52          HG23      THR  52   9.920  -3.698  -2.970
  434    H    GLU  53           HN       GLU  53  13.855  -4.708  -1.861
  435    HA   GLU  53           HA       GLU  53  16.415  -3.799  -2.709
  436   1HB   GLU  53          HB2       GLU  53  16.161  -4.513  -0.442
  437   2HB   GLU  53          HB1       GLU  53  15.519  -6.072  -0.936
  438   1HG   GLU  53          HG1       GLU  53  17.714  -6.472  -0.223
  439   2HG   GLU  53          HG2       GLU  53  17.764  -6.528  -1.985
  440    H    ASP  54           HN       ASP  54  14.496  -6.703  -3.319
  441    HA   ASP  54           HA       ASP  54  16.397  -8.230  -4.661
  442   1HB   ASP  54          HB1       ASP  54  13.970  -8.816  -3.946
  443   2HB   ASP  54          HB2       ASP  54  13.515  -8.170  -5.521
  444    H    GLY  55           HN       GLY  55  14.530  -5.483  -5.716
  445   1HA   GLY  55          HA2       GLY  55  15.626  -4.162  -7.500
  446   2HA   GLY  55          HA1       GLY  55  15.840  -5.679  -8.358
  447    H    LYS  56           HN       LYS  56  12.891  -5.023  -6.630
  448    HA   LYS  56           HA       LYS  56  11.484  -4.898  -9.201
  449   1HB   LYS  56          HB1       LYS  56  10.223  -5.367  -6.504
  450   2HB   LYS  56          HB2       LYS  56   9.555  -5.719  -8.090
  451   1HG   LYS  56          HG1       LYS  56  11.977  -7.158  -7.862
  452   2HG   LYS  56          HG2       LYS  56  11.062  -7.410  -6.374
  453   1HD   LYS  56          HD1       LYS  56   9.757  -8.859  -7.431
  454   2HD   LYS  56          HD2       LYS  56   9.239  -7.581  -8.533
  455   1HE   LYS  56          HE1       LYS  56  11.429  -8.073  -9.792
  456   2HE   LYS  56          HE2       LYS  56  11.452  -9.575  -8.869
  457   1HZ   LYS  56          HZ1       LYS  56   9.387 -10.225  -9.815
  458   2HZ   LYS  56          HZ2       LYS  56  10.387  -9.743 -11.092
  459   3HZ   LYS  56          HZ3       LYS  56   9.160  -8.716 -10.545
  460    H    LYS  57           HN       LYS  57   9.183  -3.713  -8.694
  461    HA   LYS  57           HA       LYS  57   9.510  -1.287  -7.180
  462   1HB   LYS  57          HB2       LYS  57  10.435  -1.222  -9.772
  463   2HB   LYS  57          HB1       LYS  57   8.793  -0.617  -9.940
  464   1HG   LYS  57          HG2       LYS  57   9.199   1.206  -8.525
  465   2HG   LYS  57          HG1       LYS  57  10.685   0.491  -7.895
  466   1HD   LYS  57          HD2       LYS  57  10.266   1.429 -10.733
  467   2HD   LYS  57          HD1       LYS  57  11.126   2.325  -9.479
  468   1HE   LYS  57          HE2       LYS  57  12.505   0.091  -9.297
  469   2HE   LYS  57          HE1       LYS  57  11.926  -0.141 -10.946
  470   1HZ   LYS  57          HZ1       LYS  57  13.288   1.428 -11.720
  471   2HZ   LYS  57          HZ2       LYS  57  14.125   1.259 -10.259
  472   3HZ   LYS  57          HZ3       LYS  57  12.980   2.491 -10.440
  473    H    TYR  58           HN       TYR  58   7.558  -0.229  -6.785
  474    HA   TYR  58           HA       TYR  58   5.162  -1.364  -8.037
  475   1HB   TYR  58          HB2       TYR  58   5.201  -0.833  -5.079
  476   2HB   TYR  58          HB1       TYR  58   4.080  -1.820  -6.010
  477    HD1  TYR  58           HD1      TYR  58   5.623  -3.689  -7.457
  478    HD2  TYR  58           HD2      TYR  58   6.385  -2.107  -3.581
  479    HE1  TYR  58           HE1      TYR  58   6.925  -5.700  -6.901
  480    HE2  TYR  58           HE2      TYR  58   7.690  -4.115  -3.014
  481    HH   TYR  58           HH       TYR  58   8.536  -6.494  -5.402
  482    H    VAL  59           HN       VAL  59   4.206   0.287  -8.994
  483    HA   VAL  59           HA       VAL  59   4.200   2.905  -7.651
  484    HB   VAL  59           HB       VAL  59   5.155   2.899  -9.922
  485   1HG1  VAL  59          HG21      VAL  59   2.534   2.490 -11.208
  486   2HG1  VAL  59          HG22      VAL  59   3.303   1.049 -10.545
  487   3HG1  VAL  59          HG23      VAL  59   4.149   2.027 -11.745
  488   1HG2  VAL  59          HG11      VAL  59   3.766   4.724 -10.844
  489   2HG2  VAL  59          HG12      VAL  59   4.112   4.925  -9.126
  490   3HG2  VAL  59          HG13      VAL  59   2.527   4.351  -9.646
  491    H    ILE  60           HN       ILE  60   2.395   3.327  -6.566
  492    HA   ILE  60           HA       ILE  60  -0.164   2.390  -7.685
  493    HB   ILE  60           HB       ILE  60  -0.994   2.176  -5.341
  494   1HG1  ILE  60          HG12      ILE  60   0.831   1.809  -3.612
  495   2HG1  ILE  60          HG11      ILE  60   1.940   2.582  -4.733
  496   1HG2  ILE  60          HG21      ILE  60   0.669   0.099  -4.944
  497   2HG2  ILE  60          HG22      ILE  60   0.992   0.440  -6.644
  498   3HG2  ILE  60          HG23      ILE  60  -0.653   0.089  -6.111
  499   1HD1  ILE  60          HD11      ILE  60   1.260   4.604  -4.129
  500   2HD1  ILE  60          HD12      ILE  60   0.448   3.810  -2.780
  501   3HD1  ILE  60          HD13      ILE  60  -0.441   4.162  -4.260
  502    H    GLU  61           HN       GLU  61  -1.904   3.776  -7.551
  503    HA   GLU  61           HA       GLU  61  -1.529   6.265  -6.135
  504   1HB   GLU  61          HB2       GLU  61  -0.656   6.808  -8.346
  505   2HB   GLU  61          HB1       GLU  61  -2.130   6.209  -9.099
  506   1HG   GLU  61          HG1       GLU  61  -3.420   7.974  -8.142
  507   2HG   GLU  61          HG2       GLU  61  -2.055   8.501  -7.158
  508    H    LYS  62           HN       LYS  62  -3.349   7.327  -5.573
  509    HA   LYS  62           HA       LYS  62  -5.487   7.083  -4.587
  510   1HB   LYS  62          HB2       LYS  62  -5.476   8.924  -6.116
  511   2HB   LYS  62          HB1       LYS  62  -5.718   7.856  -7.490
  512   1HG   LYS  62          HG2       LYS  62  -7.733   9.148  -6.795
  513   2HG   LYS  62          HG1       LYS  62  -7.958   7.399  -6.851
  514   1HD   LYS  62          HD1       LYS  62  -8.359   7.263  -4.650
  515   2HD   LYS  62          HD2       LYS  62  -7.063   8.392  -4.251
  516   1HE   LYS  62          HE2       LYS  62  -8.518  10.043  -3.966
  517   2HE   LYS  62          HE1       LYS  62  -9.186   9.785  -5.578
  518   1HZ   LYS  62          HZ1       LYS  62 -10.737   8.244  -4.745
  519   2HZ   LYS  62          HZ2       LYS  62 -10.784   9.551  -3.672
  520   3HZ   LYS  62          HZ3       LYS  62  -9.964   8.135  -3.244
  521    H    GLY  63           HN       GLY  63  -6.568   5.358  -3.952
  522   1HA   GLY  63          HA1       GLY  63  -8.094   3.639  -4.013
  523   2HA   GLY  63          HA2       GLY  63  -8.482   4.143  -5.649
  524    H    ASP  64           HN       ASP  64  -5.569   2.795  -4.133
  525    HA   ASP  64           HA       ASP  64  -5.779   0.484  -5.925
  526   1HB   ASP  64          HB2       ASP  64  -4.140   2.355  -6.712
  527   2HB   ASP  64          HB1       ASP  64  -3.105   1.755  -5.419
  528    H    LEU  65           HN       LEU  65  -4.547  -1.371  -5.212
  529    HA   LEU  65           HA       LEU  65  -3.595  -1.269  -2.474
  530   1HB   LEU  65          HB2       LEU  65  -4.942  -2.901  -1.578
  531   2HB   LEU  65          HB1       LEU  65  -6.055  -1.954  -2.534
  532    HG   LEU  65           HG       LEU  65  -4.946  -4.676  -3.169
  533   1HD1  LEU  65          HD21      LEU  65  -6.771  -5.223  -1.999
  534   2HD1  LEU  65          HD22      LEU  65  -7.672  -4.699  -3.423
  535   3HD1  LEU  65          HD23      LEU  65  -7.419  -3.583  -2.078
  536   1HD2  LEU  65          HD11      LEU  65  -6.772  -4.184  -5.111
  537   2HD2  LEU  65          HD12      LEU  65  -5.028  -4.036  -5.318
  538   3HD2  LEU  65          HD13      LEU  65  -5.999  -2.610  -4.957
  539    H    VAL  66           HN       VAL  66  -2.043  -2.793  -1.984
  540    HA   VAL  66           HA       VAL  66  -1.218  -4.559  -4.186
  541    HB   VAL  66           HB       VAL  66   0.602  -2.762  -2.581
  542   1HG1  VAL  66          HG21      VAL  66   2.389  -3.626  -4.053
  543   2HG1  VAL  66          HG22      VAL  66   1.246  -4.799  -4.709
  544   3HG1  VAL  66          HG23      VAL  66   1.701  -4.867  -3.005
  545   1HG2  VAL  66          HG11      VAL  66  -0.419  -1.415  -4.191
  546   2HG2  VAL  66          HG12      VAL  66  -0.393  -2.691  -5.408
  547   3HG2  VAL  66          HG13      VAL  66   1.107  -1.894  -4.934
  548    H    THR  67           HN       THR  67  -0.034  -6.405  -3.602
  549    HA   THR  67           HA       THR  67  -0.406  -7.217  -0.804
  550    HB   THR  67           HB       THR  67   0.000  -8.824  -3.332
  551    HG1  THR  67           HG1      THR  67  -2.154  -8.489  -1.532
  552   1HG2  THR  67          HG21      THR  67  -0.223  -9.838  -0.513
  553   2HG2  THR  67          HG22      THR  67   1.160 -10.008  -1.595
  554   3HG2  THR  67          HG23      THR  67  -0.357 -10.829  -1.966
  555    H    PHE  68           HN       PHE  68   1.314  -7.732   0.467
  556    HA   PHE  68           HA       PHE  68   3.965  -7.739  -0.796
  557   1HB   PHE  68          HB2       PHE  68   3.258  -6.318   1.766
  558   2HB   PHE  68          HB1       PHE  68   4.839  -6.343   0.997
  559    HD1  PHE  68           HD1      PHE  68   1.398  -5.072   0.754
  560    HD2  PHE  68           HD2      PHE  68   5.344  -4.900  -0.826
  561    HE1  PHE  68           HE1      PHE  68   0.801  -3.045  -0.509
  562    HE2  PHE  68           HE2      PHE  68   4.756  -2.874  -2.091
  563    HZ   PHE  68           HZ       PHE  68   2.481  -1.945  -1.934
  564    HA   PRO  69           HA       PRO  69   4.468 -11.267   1.885
  565   1HB   PRO  69          HB1       PRO  69   7.117 -11.720   1.196
  566   2HB   PRO  69          HB2       PRO  69   5.715 -12.330   0.326
  567   1HG   PRO  69          HG1       PRO  69   7.617 -10.372  -0.532
  568   2HG   PRO  69          HG2       PRO  69   6.223 -11.004  -1.419
  569   1HD   PRO  69          HD2       PRO  69   6.523  -8.464   0.006
  570   2HD   PRO  69          HD1       PRO  69   5.323  -8.949  -1.206
  571    H    LYS  70           HN       LYS  70   5.336 -11.747   3.869
  572    HA   LYS  70           HA       LYS  70   6.273  -9.735   5.526
  573   1HB   LYS  70          HB1       LYS  70   5.331 -11.792   6.409
  574   2HB   LYS  70          HB2       LYS  70   6.665 -12.726   5.746
  575   1HG   LYS  70          HG1       LYS  70   8.210 -11.504   7.242
  576   2HG   LYS  70          HG2       LYS  70   6.816 -10.690   7.957
  577   1HD   LYS  70          HD1       LYS  70   6.144 -13.378   8.035
  578   2HD   LYS  70          HD2       LYS  70   7.861 -13.352   8.444
  579   1HE   LYS  70          HE1       LYS  70   7.084 -11.352   9.993
  580   2HE   LYS  70          HE2       LYS  70   5.539 -12.196   9.894
  581   1HZ   LYS  70          HZ1       LYS  70   6.820 -14.245  10.568
  582   2HZ   LYS  70          HZ2       LYS  70   6.630 -13.063  11.764
  583   3HZ   LYS  70          HZ3       LYS  70   8.106 -13.218  10.954
  584    H    GLY  71           HN       GLY  71   8.290  -9.057   6.202
  585   1HA   GLY  71          HA2       GLY  71  10.615  -8.968   6.268
  586   2HA   GLY  71          HA1       GLY  71  10.673 -10.340   5.173
  587    H    LEU  72           HN       LEU  72   8.749  -8.765   3.356
  588    HA   LEU  72           HA       LEU  72  10.500  -7.958   1.445
  589   1HB   LEU  72          HB2       LEU  72   8.252  -8.134   0.829
  590   2HB   LEU  72          HB1       LEU  72   7.719  -7.044   2.091
  591    HG   LEU  72           HG       LEU  72   8.266  -5.141   0.872
  592   1HD1  LEU  72          HD11      LEU  72  10.338  -6.858  -0.306
  593   2HD1  LEU  72          HD12      LEU  72  10.371  -5.139   0.085
  594   3HD1  LEU  72          HD13      LEU  72   9.620  -5.688  -1.412
  595   1HD2  LEU  72          HD21      LEU  72   6.416  -6.467  -0.136
  596   2HD2  LEU  72          HD22      LEU  72   7.576  -7.113  -1.296
  597   3HD2  LEU  72          HD23      LEU  72   7.229  -5.384  -1.265
  598    H    ARG  73           HN       ARG  73  12.250  -6.726   1.912
  599    HA   ARG  73           HA       ARG  73  11.921  -4.192   3.314
  600   1HB   ARG  73          HB1       ARG  73  13.913  -5.907   3.489
  601   2HB   ARG  73          HB2       ARG  73  14.487  -5.086   2.046
  602   1HG   ARG  73          HG1       ARG  73  13.886  -2.997   3.710
  603   2HG   ARG  73          HG2       ARG  73  14.505  -4.218   4.824
  604   1HD   ARG  73          HD1       ARG  73  16.052  -3.910   2.350
  605   2HD   ARG  73          HD2       ARG  73  16.049  -2.493   3.398
  606    HE   ARG  73           HE       ARG  73  16.605  -4.527   5.096
  607   1HH1  ARG  73          HH12      ARG  73  17.982  -3.472   2.076
  608   2HH1  ARG  73          HH11      ARG  73  19.576  -4.032   2.458
  609   1HH2  ARG  73          HH22      ARG  73  18.700  -5.267   5.610
  610   2HH2  ARG  73          HH21      ARG  73  19.985  -5.053   4.467
  611    H    CYS  74           HN       CYS  74  11.287  -2.440   2.178
  612    HA   CYS  74           HA       CYS  74  12.578  -1.889  -0.369
  613   1HB   CYS  74          HB2       CYS  74  10.380  -1.456  -1.485
  614   2HB   CYS  74          HB1       CYS  74  10.682  -3.153  -1.128
  615    HG   CYS  74           HG       CYS  74   8.964  -2.989   0.822
  616    H    ARG  75           HN       ARG  75  12.825   0.226  -0.781
  617    HA   ARG  75           HA       ARG  75  11.966   2.118   1.256
  618   1HB   ARG  75          HB2       ARG  75  14.226   2.411   0.630
  619   2HB   ARG  75          HB1       ARG  75  13.868   2.235  -1.078
  620   1HG   ARG  75          HG2       ARG  75  14.139   4.462  -1.078
  621   2HG   ARG  75          HG1       ARG  75  12.460   4.472  -0.548
  622   1HD   ARG  75          HD2       ARG  75  13.055   5.504   1.312
  623   2HD   ARG  75          HD1       ARG  75  14.061   4.123   1.751
  624    HE   ARG  75           HE       ARG  75  15.659   5.457   0.065
  625   1HH1  ARG  75          HH11      ARG  75  13.772   6.525   2.793
  626   2HH1  ARG  75          HH12      ARG  75  14.854   7.815   3.199
  627   1HH2  ARG  75          HH21      ARG  75  17.088   7.155   0.594
  628   2HH2  ARG  75          HH22      ARG  75  16.736   8.173   1.950
  629    H    TRP  76           HN       TRP  76  10.437   3.684   0.951
  630    HA   TRP  76           HA       TRP  76   9.327   4.000  -1.736
  631   1HB   TRP  76          HB1       TRP  76   7.013   4.006  -0.705
  632   2HB   TRP  76          HB2       TRP  76   7.819   2.451  -0.824
  633    HD1  TRP  76           HD1      TRP  76   8.475   1.201   1.402
  634    HE1  TRP  76           HE1      TRP  76   7.700   1.508   3.831
  635    HE3  TRP  76           HE3      TRP  76   6.335   5.822   0.987
  636    HZ2  TRP  76           HZ2      TRP  76   6.360   3.460   5.378
  637    HZ3  TRP  76           HZ3      TRP  76   5.328   6.841   2.988
  638    HH2  TRP  76           HH2      TRP  76   5.340   5.683   5.136
  639    H    LYS  77           HN       LYS  77   8.523   5.948  -2.236
  640    HA   LYS  77           HA       LYS  77   8.638   8.047  -0.184
  641   1HB   LYS  77          HB1       LYS  77   9.618   9.537  -1.949
  642   2HB   LYS  77          HB2       LYS  77  10.683   8.246  -1.416
  643   1HG   LYS  77          HG1       LYS  77   9.530   7.015  -3.487
  644   2HG   LYS  77          HG2       LYS  77   9.397   8.688  -4.036
  645   1HD   LYS  77          HD2       LYS  77  11.747   9.008  -3.910
  646   2HD   LYS  77          HD1       LYS  77  11.973   7.486  -3.045
  647   1HE   LYS  77          HE1       LYS  77  11.266   6.245  -5.017
  648   2HE   LYS  77          HE2       LYS  77  10.985   7.755  -5.882
  649   1HZ   LYS  77          HZ1       LYS  77  13.093   6.880  -6.527
  650   2HZ   LYS  77          HZ2       LYS  77  13.593   6.716  -4.920
  651   3HZ   LYS  77          HZ3       LYS  77  13.374   8.256  -5.585
  652    H    VAL  78           HN       VAL  78   6.864   9.276  -0.126
  653    HA   VAL  78           HA       VAL  78   4.800   8.877  -2.112
  654    HB   VAL  78           HB       VAL  78   4.630  10.808   0.180
  655   1HG1  VAL  78          HG11      VAL  78   2.345  10.645  -0.060
  656   2HG1  VAL  78          HG12      VAL  78   2.434   9.062  -0.831
  657   3HG1  VAL  78          HG13      VAL  78   2.886  10.507  -1.734
  658   1HG2  VAL  78          HG21      VAL  78   4.867   9.175   1.661
  659   2HG2  VAL  78          HG22      VAL  78   5.077   7.990   0.371
  660   3HG2  VAL  78          HG23      VAL  78   3.460   8.376   0.959
  661    H    LEU  79           HN       LEU  79   4.192  10.279  -3.675
  662    HA   LEU  79           HA       LEU  79   5.881  12.612  -4.107
  663   1HB   LEU  79          HB2       LEU  79   3.663  11.856  -5.954
  664   2HB   LEU  79          HB1       LEU  79   5.225  12.558  -6.321
  665    HG   LEU  79           HG       LEU  79   4.570   9.680  -5.739
  666   1HD1  LEU  79          HD11      LEU  79   4.439  10.745  -8.066
  667   2HD1  LEU  79          HD12      LEU  79   5.370   9.257  -7.890
  668   3HD1  LEU  79          HD13      LEU  79   6.200  10.810  -7.988
  669   1HD2  LEU  79          HD21      LEU  79   7.314   9.908  -6.257
  670   2HD2  LEU  79          HD22      LEU  79   6.538   9.396  -4.759
  671   3HD2  LEU  79          HD23      LEU  79   6.954  11.093  -5.001
  672    H    GLU  80           HN       GLU  80   2.607  11.797  -3.262
  673    HA   GLU  80           HA       GLU  80   2.075  14.614  -2.692
  674   1HB   GLU  80          HB2       GLU  80   0.393  12.828  -4.432
  675   2HB   GLU  80          HB1       GLU  80  -0.312  14.188  -3.571
  676   1HG   GLU  80          HG2       GLU  80   2.031  14.480  -5.426
  677   2HG   GLU  80          HG1       GLU  80   0.356  14.590  -5.970
  678    HA   PRO  81           HA       PRO  81   0.397  13.487   1.237
  679   1HB   PRO  81          HB2       PRO  81  -2.196  14.488   0.096
  680   2HB   PRO  81          HB1       PRO  81  -1.501  14.761   1.700
  681   1HG   PRO  81          HG2       PRO  81  -1.278  16.631  -0.167
  682   2HG   PRO  81          HG1       PRO  81   0.092  16.264   0.891
  683   1HD   PRO  81          HD2       PRO  81  -0.317  15.596  -1.977
  684   2HD   PRO  81          HD1       PRO  81   1.191  15.892  -1.089
  685    H    VAL  82           HN       VAL  82   0.174  11.392   1.646
  686    HA   VAL  82           HA       VAL  82  -1.633   9.815  -0.024
  687    HB   VAL  82           HB       VAL  82   1.046   9.445   0.844
  688   1HG1  VAL  82          HG21      VAL  82   0.012   8.211   2.782
  689   2HG1  VAL  82          HG22      VAL  82   1.139   7.284   1.790
  690   3HG1  VAL  82          HG23      VAL  82  -0.600   7.046   1.606
  691   1HG2  VAL  82          HG11      VAL  82  -0.752   7.668  -0.785
  692   2HG2  VAL  82          HG12      VAL  82   1.010   7.627  -0.762
  693   3HG2  VAL  82          HG13      VAL  82   0.170   9.045  -1.386
  694    H    ARG  83           HN       ARG  83  -3.246   8.624   0.739
  695    HA   ARG  83           HA       ARG  83  -3.576   8.244   3.621
  696   1HB   ARG  83          HB2       ARG  83  -5.382   9.759   1.825
  697   2HB   ARG  83          HB1       ARG  83  -6.162   8.615   2.907
  698   1HG   ARG  83          HG1       ARG  83  -4.250  10.102   4.398
  699   2HG   ARG  83          HG2       ARG  83  -5.244  11.226   3.470
  700   1HD   ARG  83          HD2       ARG  83  -7.030   9.338   4.487
  701   2HD   ARG  83          HD1       ARG  83  -5.916   9.678   5.810
  702    HE   ARG  83           HE       ARG  83  -6.821  11.771   5.988
  703   1HH1  ARG  83          HH21      ARG  83  -7.755  10.382   2.936
  704   2HH1  ARG  83          HH22      ARG  83  -8.867  11.652   2.550
  705   1HH2  ARG  83          HH11      ARG  83  -8.280  13.450   5.492
  706   2HH2  ARG  83          HH12      ARG  83  -9.165  13.399   4.004
  707    H    LYS  84           HN       LYS  84  -3.722   6.081   3.902
  708    HA   LYS  84           HA       LYS  84  -5.215   4.546   1.893
  709   1HB   LYS  84          HB2       LYS  84  -3.517   3.085   1.443
  710   2HB   LYS  84          HB1       LYS  84  -2.583   4.540   1.748
  711   1HG   LYS  84          HG1       LYS  84  -2.758   3.412   4.242
  712   2HG   LYS  84          HG2       LYS  84  -2.631   2.008   3.180
  713   1HD   LYS  84          HD1       LYS  84  -0.782   4.360   2.907
  714   2HD   LYS  84          HD2       LYS  84  -0.459   3.063   4.061
  715   1HE   LYS  84          HE1       LYS  84  -0.312   1.445   2.334
  716   2HE   LYS  84          HE2       LYS  84  -0.956   2.567   1.136
  717   1HZ   LYS  84          HZ1       LYS  84   1.734   2.209   2.015
  718   2HZ   LYS  84          HZ2       LYS  84   1.253   3.826   2.140
  719   3HZ   LYS  84          HZ3       LYS  84   1.148   3.025   0.654
  720    H    HIS  85           HN       HIS  85  -5.932   2.450   2.574
  721    HA   HIS  85           HA       HIS  85  -6.591   2.394   5.426
  722   1HB   HIS  85          HB1       HIS  85  -7.797   0.884   3.100
  723   2HB   HIS  85          HB2       HIS  85  -8.350   0.789   4.769
  724    HD1  HIS  85           HD1      HIS  85 -10.510   2.000   4.860
  725    HD2  HIS  85           HD2      HIS  85  -7.684   4.021   2.586
  726    HE1  HIS  85           HE1      HIS  85 -11.604   4.167   4.201
  727    HE2  HIS  85           HE2      HIS  85  -9.875   5.375   2.822
  728    H    TYR  86           HN       TYR  86  -6.666   0.191   6.447
  729    HA   TYR  86           HA       TYR  86  -4.282  -1.324   5.587
  730   1HB   TYR  86          HB2       TYR  86  -5.326  -0.635   8.317
  731   2HB   TYR  86          HB1       TYR  86  -4.085  -1.853   8.063
  732    HD1  TYR  86           HD1      TYR  86  -4.535   1.392   9.030
  733    HD2  TYR  86           HD2      TYR  86  -2.185  -0.887   6.322
  734    HE1  TYR  86           HE1      TYR  86  -2.838   3.153   9.045
  735    HE2  TYR  86           HE2      TYR  86  -0.472   0.868   6.319
  736    HH   TYR  86           HH       TYR  86  -0.199   3.178   8.562
  737    H    ASN  87           HN       ASN  87  -4.175  -3.497   5.840
  738    HA   ASN  87           HA       ASN  87  -6.414  -5.003   6.895
  739   1HB   ASN  87          HB2       ASN  87  -6.553  -4.492   4.252
  740   2HB   ASN  87          HB1       ASN  87  -5.534  -5.927   4.217
  741   1HD2  ASN  87          HD21      ASN  87  -6.371  -7.735   5.678
  742   2HD2  ASN  87          HD22      ASN  87  -8.065  -8.060   5.574
  743    H    LEU  88           HN       LEU  88  -4.308  -5.006   8.261
  744    HA   LEU  88           HA       LEU  88  -2.271  -6.836   7.329
  745   1HB   LEU  88          HB1       LEU  88  -2.170  -6.062  10.157
  746   2HB   LEU  88          HB2       LEU  88  -0.923  -6.013   8.931
  747    HG   LEU  88           HG       LEU  88  -1.147  -3.788   9.509
  748   1HD1  LEU  88          HD21      LEU  88  -1.591  -2.805   7.560
  749   2HD1  LEU  88          HD22      LEU  88  -3.215  -3.481   7.475
  750   3HD1  LEU  88          HD23      LEU  88  -1.832  -4.459   6.994
  751   1HD2  LEU  88          HD11      LEU  88  -3.555  -4.526  10.590
  752   2HD2  LEU  88          HD12      LEU  88  -4.013  -3.386   9.325
  753   3HD2  LEU  88          HD13      LEU  88  -2.875  -2.900  10.580
  754    H    PHE  89           HN       PHE  89  -1.709  -8.803   8.309
  755    HA   PHE  89           HA       PHE  89  -3.975 -10.121   9.632
  756   1HB   PHE  89          HB2       PHE  89  -1.594 -11.235   8.139
  757   2HB   PHE  89          HB1       PHE  89  -2.753 -12.237   9.007
  758    HD1  PHE  89           HD1      PHE  89  -4.802 -12.839   8.043
  759    HD2  PHE  89           HD2      PHE  89  -2.401  -9.839   6.215
  760    HE1  PHE  89           HE1      PHE  89  -6.257 -12.889   6.059
  761    HE2  PHE  89           HE2      PHE  89  -3.849  -9.884   4.228
  762    HZ   PHE  89           HZ       PHE  89  -5.781 -11.409   4.148
  Start of MODEL    9
    1   1H    MET   1          HT1       MET   1   7.090 -14.702  -3.343
    2   2H    MET   1          HT2       MET   1   6.198 -14.413  -1.906
    3   3H    MET   1          HT3       MET   1   7.907 -14.262  -1.900
    4    HA   MET   1           HA       MET   1   6.561 -12.173  -1.965
    5   1HB   MET   1          HB1       MET   1   8.796 -12.954  -3.813
    6   2HB   MET   1          HB2       MET   1   8.167 -11.312  -3.836
    7   1HG   MET   1          HG1       MET   1   8.621 -11.198  -1.378
    8   2HG   MET   1          HG2       MET   1   9.443 -12.751  -1.526
    9   1HE   MET   1          HE1       MET   1  10.027  -9.904  -0.527
   10   2HE   MET   1          HE2       MET   1  10.745  -8.775  -1.676
   11   3HE   MET   1          HE3       MET   1  11.776  -9.862  -0.746
   12    H    GLU   2           HN       GLU   2   4.719 -11.455  -2.794
   13    HA   GLU   2           HA       GLU   2   4.295 -11.584  -5.673
   14   1HB   GLU   2          HB2       GLU   2   3.157 -13.535  -4.226
   15   2HB   GLU   2          HB1       GLU   2   1.926 -12.293  -4.029
   16   1HG   GLU   2          HG2       GLU   2   2.667 -12.392  -6.769
   17   2HG   GLU   2          HG1       GLU   2   2.345 -14.034  -6.215
   18    H    VAL   3           HN       VAL   3   4.739  -9.311  -5.410
   19    HA   VAL   3           HA       VAL   3   2.677  -7.750  -4.041
   20    HB   VAL   3           HB       VAL   3   5.074  -6.629  -5.461
   21   1HG1  VAL   3          HG21      VAL   3   4.793  -4.769  -3.939
   22   2HG1  VAL   3          HG22      VAL   3   3.459  -5.599  -3.139
   23   3HG1  VAL   3          HG23      VAL   3   3.294  -5.075  -4.815
   24   1HG2  VAL   3          HG11      VAL   3   6.257  -6.673  -3.300
   25   2HG2  VAL   3          HG12      VAL   3   5.925  -8.290  -3.920
   26   3HG2  VAL   3          HG13      VAL   3   4.937  -7.625  -2.619
   27    H    LYS   4           HN       LYS   4   0.897  -7.479  -5.256
   28    HA   LYS   4           HA       LYS   4   1.257  -6.869  -8.108
   29   1HB   LYS   4          HB1       LYS   4  -0.852  -7.797  -8.543
   30   2HB   LYS   4          HB2       LYS   4  -0.131  -8.888  -7.375
   31   1HG   LYS   4          HG2       LYS   4  -1.917  -6.699  -6.409
   32   2HG   LYS   4          HG1       LYS   4  -2.616  -8.137  -7.143
   33   1HD   LYS   4          HD1       LYS   4  -1.084  -9.426  -5.506
   34   2HD   LYS   4          HD2       LYS   4  -1.000  -7.890  -4.639
   35   1HE   LYS   4          HE2       LYS   4  -3.090  -8.090  -3.858
   36   2HE   LYS   4          HE1       LYS   4  -3.712  -8.643  -5.412
   37   1HZ   LYS   4          HZ1       LYS   4  -2.278 -10.328  -3.431
   38   2HZ   LYS   4          HZ2       LYS   4  -2.882 -10.855  -4.921
   39   3HZ   LYS   4          HZ3       LYS   4  -3.946 -10.339  -3.712
   40    H    ILE   5           HN       ILE   5   0.052  -5.194  -9.076
   41    HA   ILE   5           HA       ILE   5  -1.079  -3.241  -7.185
   42    HB   ILE   5           HB       ILE   5   0.459  -2.537  -9.682
   43   1HG1  ILE   5          HG12      ILE   5   1.929  -1.533  -7.637
   44   2HG1  ILE   5          HG11      ILE   5   1.299  -2.993  -6.880
   45   1HG2  ILE   5          HG21      ILE   5  -1.420  -1.074  -8.295
   46   2HG2  ILE   5          HG22      ILE   5  -0.190  -0.424  -9.379
   47   3HG2  ILE   5          HG23      ILE   5   0.112  -0.494  -7.644
   48   1HD1  ILE   5          HD11      ILE   5   2.620  -3.088  -9.559
   49   2HD1  ILE   5          HD12      ILE   5   2.368  -4.388  -8.395
   50   3HD1  ILE   5          HD13      ILE   5   3.552  -3.125  -8.063
   51    H    GLU   6           HN       GLU   6  -3.178  -3.006  -7.525
   52    HA   GLU   6           HA       GLU   6  -4.172  -2.671 -10.233
   53   1HB   GLU   6          HB1       GLU   6  -5.251  -4.852  -8.433
   54   2HB   GLU   6          HB2       GLU   6  -5.913  -4.388  -9.994
   55   1HG   GLU   6          HG1       GLU   6  -3.619  -4.970 -10.945
   56   2HG   GLU   6          HG2       GLU   6  -3.319  -5.763  -9.398
   57    H    LYS   7           HN       LYS   7  -6.276  -1.731 -10.313
   58    HA   LYS   7           HA       LYS   7  -6.942  -0.314  -7.840
   59   1HB   LYS   7          HB2       LYS   7  -7.348   0.252 -10.739
   60   2HB   LYS   7          HB1       LYS   7  -8.490   0.933  -9.589
   61   1HG   LYS   7          HG1       LYS   7  -7.050   2.502  -8.934
   62   2HG   LYS   7          HG2       LYS   7  -5.729   1.340  -8.784
   63   1HD   LYS   7          HD1       LYS   7  -6.689   2.553 -11.374
   64   2HD   LYS   7          HD2       LYS   7  -5.276   3.090 -10.465
   65   1HE   LYS   7          HE1       LYS   7  -4.392   0.738 -10.677
   66   2HE   LYS   7          HE2       LYS   7  -5.703   0.435 -11.817
   67   1HZ   LYS   7          HZ1       LYS   7  -4.285   1.169 -13.347
   68   2HZ   LYS   7          HZ2       LYS   7  -3.237   1.848 -12.206
   69   3HZ   LYS   7          HZ3       LYS   7  -4.582   2.722 -12.745
   70    HA   PRO   8           HA       PRO   8 -10.169  -3.335  -7.189
   71   1HB   PRO   8          HB2       PRO   8 -11.614  -1.383  -5.620
   72   2HB   PRO   8          HB1       PRO   8 -10.744  -2.813  -5.068
   73   1HG   PRO   8          HG2       PRO   8  -9.864  -0.005  -5.149
   74   2HG   PRO   8          HG1       PRO   8  -9.235  -1.351  -4.179
   75   1HD   PRO   8          HD2       PRO   8  -7.838  -0.313  -6.205
   76   2HD   PRO   8          HD1       PRO   8  -7.803  -2.039  -5.836
   77    H    THR   9           HN       THR   9 -12.297  -3.692  -7.783
   78    HA   THR   9           HA       THR   9 -13.147  -2.885 -10.169
   79    HB   THR   9           HB       THR   9 -14.907  -3.531  -7.835
   80    HG1  THR   9           HG1      THR   9 -14.753  -5.642  -8.669
   81   1HG2  THR   9          HG21      THR   9 -15.551  -3.931 -10.735
   82   2HG2  THR   9          HG22      THR   9 -16.154  -2.581  -9.773
   83   3HG2  THR   9          HG23      THR   9 -16.594  -4.235  -9.345
   84    HA   PRO  10           HA       PRO  10 -13.502  -1.897  -6.652
   85   1HB   PRO  10          HB2       PRO  10 -14.351   0.140  -4.997
   86   2HB   PRO  10          HB1       PRO  10 -12.812   0.119  -5.858
   87   1HG   PRO  10          HG1       PRO  10 -14.983   1.888  -6.258
   88   2HG   PRO  10          HG2       PRO  10 -13.511   1.769  -7.235
   89   1HD   PRO  10          HD1       PRO  10 -16.187   0.544  -7.662
   90   2HD   PRO  10          HD2       PRO  10 -15.033   1.172  -8.861
   91    H    GLU  11           HN       GLU  11 -16.362  -2.324  -7.752
   92    HA   GLU  11           HA       GLU  11 -18.188  -2.255  -5.633
   93   1HB   GLU  11          HB1       GLU  11 -18.109  -3.339  -8.245
   94   2HB   GLU  11          HB2       GLU  11 -18.536  -4.663  -7.169
   95   1HG   GLU  11          HG2       GLU  11 -20.467  -3.409  -8.127
   96   2HG   GLU  11          HG1       GLU  11 -20.445  -3.512  -6.368
   97    H    LYS  12           HN       LYS  12 -15.445  -4.268  -6.227
   98    HA   LYS  12           HA       LYS  12 -16.025  -6.425  -4.533
   99   1HB   LYS  12          HB1       LYS  12 -13.925  -5.693  -6.189
  100   2HB   LYS  12          HB2       LYS  12 -13.218  -5.655  -4.579
  101   1HG   LYS  12          HG2       LYS  12 -13.415  -7.901  -4.284
  102   2HG   LYS  12          HG1       LYS  12 -14.849  -8.020  -5.305
  103   1HD   LYS  12          HD1       LYS  12 -13.398  -8.955  -6.761
  104   2HD   LYS  12          HD2       LYS  12 -13.030  -7.271  -7.141
  105   1HE   LYS  12          HE1       LYS  12 -10.925  -8.157  -6.807
  106   2HE   LYS  12          HE2       LYS  12 -11.298  -7.486  -5.219
  107   1HZ   LYS  12          HZ1       LYS  12 -10.461  -9.995  -5.644
  108   2HZ   LYS  12          HZ2       LYS  12 -12.136 -10.225  -5.602
  109   3HZ   LYS  12          HZ3       LYS  12 -11.349  -9.507  -4.290
  110    H    LEU  13           HN       LEU  13 -14.901  -3.185  -4.034
  111    HA   LEU  13           HA       LEU  13 -13.885  -3.427  -1.429
  112   1HB   LEU  13          HB1       LEU  13 -15.247  -1.000  -2.580
  113   2HB   LEU  13          HB2       LEU  13 -14.064  -1.040  -1.286
  114    HG   LEU  13           HG       LEU  13 -13.620  -1.464  -4.221
  115   1HD1  LEU  13          HD11      LEU  13 -11.994   0.307  -3.956
  116   2HD1  LEU  13          HD12      LEU  13 -12.292   0.346  -2.219
  117   3HD1  LEU  13          HD13      LEU  13 -13.561   0.832  -3.341
  118   1HD2  LEU  13          HD21      LEU  13 -12.161  -3.039  -3.757
  119   2HD2  LEU  13          HD22      LEU  13 -12.175  -2.678  -2.031
  120   3HD2  LEU  13          HD23      LEU  13 -11.160  -1.734  -3.121
  121    H    LYS  14           HN       LYS  14 -17.143  -3.270  -2.650
  122    HA   LYS  14           HA       LYS  14 -18.517  -2.369  -0.399
  123   1HB   LYS  14          HB1       LYS  14 -20.451  -3.205  -1.372
  124   2HB   LYS  14          HB2       LYS  14 -19.396  -3.022  -2.764
  125   1HG   LYS  14          HG2       LYS  14 -18.864  -5.433  -2.636
  126   2HG   LYS  14          HG1       LYS  14 -20.013  -5.583  -1.307
  127   1HD   LYS  14          HD1       LYS  14 -21.822  -5.387  -2.664
  128   2HD   LYS  14          HD2       LYS  14 -21.001  -4.292  -3.779
  129   1HE   LYS  14          HE2       LYS  14 -21.289  -6.246  -5.019
  130   2HE   LYS  14          HE1       LYS  14 -19.617  -6.336  -4.464
  131   1HZ   LYS  14          HZ1       LYS  14 -20.604  -7.673  -2.530
  132   2HZ   LYS  14          HZ2       LYS  14 -20.444  -8.435  -4.031
  133   3HZ   LYS  14          HZ3       LYS  14 -21.956  -7.867  -3.528
  134    H    GLU  15           HN       GLU  15 -17.499  -5.647  -1.267
  135    HA   GLU  15           HA       GLU  15 -18.286  -6.729   1.307
  136   1HB   GLU  15          HB1       GLU  15 -17.196  -8.809   0.471
  137   2HB   GLU  15          HB2       GLU  15 -18.445  -8.195  -0.604
  138   1HG   GLU  15          HG1       GLU  15 -16.883  -7.431  -2.169
  139   2HG   GLU  15          HG2       GLU  15 -15.550  -7.547  -1.021
  140    H    LEU  16           HN       LEU  16 -15.508  -5.357  -0.201
  141    HA   LEU  16           HA       LEU  16 -13.660  -6.227   1.864
  142   1HB   LEU  16          HB2       LEU  16 -13.481  -5.230  -0.840
  143   2HB   LEU  16          HB1       LEU  16 -12.435  -4.306   0.220
  144    HG   LEU  16           HG       LEU  16 -11.135  -6.189   0.769
  145   1HD1  LEU  16          HD11      LEU  16 -13.522  -7.721  -0.117
  146   2HD1  LEU  16          HD12      LEU  16 -12.490  -7.948   1.295
  147   3HD1  LEU  16          HD13      LEU  16 -11.935  -8.470  -0.296
  148   1HD2  LEU  16          HD21      LEU  16 -10.386  -5.583  -1.316
  149   2HD2  LEU  16          HD22      LEU  16 -11.904  -6.015  -2.105
  150   3HD2  LEU  16          HD23      LEU  16 -10.789  -7.279  -1.583
  151    H    SER  17           HN       SER  17 -16.003  -4.239   2.196
  152    HA   SER  17           HA       SER  17 -15.668  -1.684   2.430
  153   1HB   SER  17          HB1       SER  17 -16.483  -3.351   4.818
  154   2HB   SER  17          HB2       SER  17 -16.866  -1.647   4.575
  155    HG   SER  17           HG       SER  17 -18.492  -3.312   3.933
  156    H    VAL  18           HN       VAL  18 -13.595  -0.922   2.442
  157    HA   VAL  18           HA       VAL  18 -11.717  -1.457   4.505
  158    HB   VAL  18           HB       VAL  18 -10.416   0.390   3.585
  159   1HG1  VAL  18          HG21      VAL  18 -11.529  -1.036   1.204
  160   2HG1  VAL  18          HG22      VAL  18 -10.667  -1.931   2.455
  161   3HG1  VAL  18          HG23      VAL  18  -9.856  -0.629   1.583
  162   1HG2  VAL  18          HG11      VAL  18 -11.193   1.870   1.944
  163   2HG2  VAL  18          HG12      VAL  18 -12.508   1.781   3.116
  164   3HG2  VAL  18          HG13      VAL  18 -12.614   0.884   1.602
  165    H    GLU  19           HN       GLU  19 -14.400   0.648   4.201
  166    HA   GLU  19           HA       GLU  19 -13.852   2.800   5.800
  167   1HB   GLU  19          HB1       GLU  19 -16.319   2.564   6.498
  168   2HB   GLU  19          HB2       GLU  19 -15.972   2.730   4.781
  169   1HG   GLU  19          HG2       GLU  19 -15.918  -0.036   5.422
  170   2HG   GLU  19          HG1       GLU  19 -17.383   0.666   6.115
  171    H    LYS  20           HN       LYS  20 -14.526  -0.504   6.740
  172    HA   LYS  20           HA       LYS  20 -14.711   0.057   9.546
  173   1HB   LYS  20          HB2       LYS  20 -14.069  -2.695   8.627
  174   2HB   LYS  20          HB1       LYS  20 -15.245  -2.153   9.815
  175   1HG   LYS  20          HG2       LYS  20 -16.611  -1.287   7.860
  176   2HG   LYS  20          HG1       LYS  20 -15.514  -2.203   6.827
  177   1HD   LYS  20          HD2       LYS  20 -17.231  -3.322   9.039
  178   2HD   LYS  20          HD1       LYS  20 -17.508  -3.502   7.304
  179   1HE   LYS  20          HE1       LYS  20 -16.459  -5.483   7.726
  180   2HE   LYS  20          HE2       LYS  20 -15.056  -4.476   7.368
  181   1HZ   LYS  20          HZ1       LYS  20 -14.274  -5.000   9.355
  182   2HZ   LYS  20          HZ2       LYS  20 -15.684  -5.845   9.752
  183   3HZ   LYS  20          HZ3       LYS  20 -15.573  -4.189  10.076
  184    H    TRP  21           HN       TRP  21 -12.144  -0.488   7.329
  185    HA   TRP  21           HA       TRP  21 -10.259  -1.361   9.340
  186   1HB   TRP  21          HB2       TRP  21  -9.510  -0.424   6.580
  187   2HB   TRP  21          HB1       TRP  21  -8.704  -1.615   7.595
  188    HD1  TRP  21           HD1      TRP  21 -12.051  -2.794   7.860
  189    HE1  TRP  21           HE1      TRP  21 -12.650  -4.517   6.055
  190    HE3  TRP  21           HE3      TRP  21  -8.209  -1.925   4.592
  191    HZ2  TRP  21           HZ2      TRP  21 -11.626  -5.410   3.580
  192    HZ3  TRP  21           HZ3      TRP  21  -8.091  -3.262   2.529
  193    HH2  TRP  21           HH2      TRP  21  -9.768  -4.968   2.035
  194    HA   PRO  22           HA       PRO  22  -8.778   2.558  10.722
  195   1HB   PRO  22          HB2       PRO  22  -6.043   2.095  10.635
  196   2HB   PRO  22          HB1       PRO  22  -7.105   1.658  11.973
  197   1HG   PRO  22          HG2       PRO  22  -6.054  -0.027   9.753
  198   2HG   PRO  22          HG1       PRO  22  -6.318  -0.449  11.452
  199   1HD   PRO  22          HD1       PRO  22  -8.002  -1.252   9.517
  200   2HD   PRO  22          HD2       PRO  22  -8.586  -0.813  11.137
  201    H    ILE  23           HN       ILE  23  -7.655   4.453  10.033
  202    HA   ILE  23           HA       ILE  23  -6.983   4.440   7.162
  203    HB   ILE  23           HB       ILE  23  -7.919   6.853   8.703
  204   1HG1  ILE  23          HG12      ILE  23  -9.636   5.026   8.723
  205   2HG1  ILE  23          HG11      ILE  23 -10.151   6.477   7.868
  206   1HG2  ILE  23          HG21      ILE  23  -7.149   6.270   5.932
  207   2HG2  ILE  23          HG22      ILE  23  -7.126   7.791   6.825
  208   3HG2  ILE  23          HG23      ILE  23  -8.631   7.211   6.111
  209   1HD1  ILE  23          HD11      ILE  23 -10.834   4.555   6.626
  210   2HD1  ILE  23          HD12      ILE  23  -9.196   3.901   6.650
  211   3HD1  ILE  23          HD13      ILE  23  -9.546   5.370   5.739
  212    H    TRP  24           HN       TRP  24  -5.197   5.651   6.464
  213    HA   TRP  24           HA       TRP  24  -3.405   6.576   8.609
  214   1HB   TRP  24          HB1       TRP  24  -2.870   4.327   7.387
  215   2HB   TRP  24          HB2       TRP  24  -2.323   5.376   6.082
  216    HD1  TRP  24           HD1      TRP  24  -1.768   5.862   9.889
  217    HE1  TRP  24           HE1      TRP  24   0.766   6.020  10.308
  218    HE3  TRP  24           HE3      TRP  24  -0.102   4.990   5.134
  219    HZ2  TRP  24           HZ2      TRP  24   3.155   5.804   8.821
  220    HZ3  TRP  24           HZ3      TRP  24   2.323   4.983   4.718
  221    HH2  TRP  24           HH2      TRP  24   3.917   5.381   6.524
  222    H    GLU  25           HN       GLU  25  -2.023   8.289   8.140
  223    HA   GLU  25           HA       GLU  25  -2.508   9.707   5.611
  224   1HB   GLU  25          HB1       GLU  25  -2.468  10.906   8.386
  225   2HB   GLU  25          HB2       GLU  25  -2.399  11.855   6.908
  226   1HG   GLU  25          HG2       GLU  25  -4.603  11.877   6.841
  227   2HG   GLU  25          HG1       GLU  25  -4.606  10.123   6.663
  228    H    LYS  26           HN       LYS  26  -0.681  10.285   4.595
  229    HA   LYS  26           HA       LYS  26   1.776  10.567   6.169
  230   1HB   LYS  26          HB1       LYS  26   1.768   8.277   5.333
  231   2HB   LYS  26          HB2       LYS  26   1.491   8.853   3.696
  232   1HG   LYS  26          HG2       LYS  26   3.785   8.298   3.865
  233   2HG   LYS  26          HG1       LYS  26   3.681  10.059   3.845
  234   1HD   LYS  26          HD2       LYS  26   3.853  10.062   6.311
  235   2HD   LYS  26          HD1       LYS  26   4.058   8.309   6.273
  236   1HE   LYS  26          HE2       LYS  26   6.208   8.461   5.676
  237   2HE   LYS  26          HE1       LYS  26   5.876   9.716   4.483
  238   1HZ   LYS  26          HZ1       LYS  26   6.481  11.310   5.897
  239   2HZ   LYS  26          HZ2       LYS  26   7.195  10.082   6.815
  240   3HZ   LYS  26          HZ3       LYS  26   5.641  10.628   7.197
  241    H    GLU  27           HN       GLU  27   3.276  11.967   5.380
  242    HA   GLU  27           HA       GLU  27   2.350  13.812   3.324
  243   1HB   GLU  27          HB1       GLU  27   4.109  15.287   4.105
  244   2HB   GLU  27          HB2       GLU  27   3.205  14.686   5.489
  245   1HG   GLU  27          HG1       GLU  27   4.944  13.149   6.045
  246   2HG   GLU  27          HG2       GLU  27   5.808  13.508   4.552
  247    H    VAL  28           HN       VAL  28   3.802  14.583   1.693
  248    HA   VAL  28           HA       VAL  28   4.785  12.503   0.118
  249    HB   VAL  28           HB       VAL  28   5.427  14.167  -1.441
  250   1HG1  VAL  28          HG21      VAL  28   3.118  15.373   0.043
  251   2HG1  VAL  28          HG22      VAL  28   2.995  13.878  -0.882
  252   3HG1  VAL  28          HG23      VAL  28   3.423  15.382  -1.695
  253   1HG2  VAL  28          HG11      VAL  28   6.721  15.792  -0.519
  254   2HG2  VAL  28          HG12      VAL  28   5.757  15.868   0.956
  255   3HG2  VAL  28          HG13      VAL  28   5.186  16.660  -0.514
  256    H    SER  29           HN       SER  29   6.285  12.051   2.423
  257    HA   SER  29           HA       SER  29   8.963  13.088   1.889
  258   1HB   SER  29          HB2       SER  29   9.566  12.421   4.059
  259   2HB   SER  29          HB1       SER  29   7.906  12.984   4.252
  260    HG   SER  29           HG       SER  29   8.496  10.873   5.217
  261    H    GLU  30           HN       GLU  30  10.395  10.905   2.948
  262    HA   GLU  30           HA       GLU  30   9.678   8.572   1.370
  263   1HB   GLU  30          HB1       GLU  30  12.403   9.840   1.054
  264   2HB   GLU  30          HB2       GLU  30  11.790   8.419   0.218
  265   1HG   GLU  30          HG1       GLU  30  11.485   9.954  -1.415
  266   2HG   GLU  30          HG2       GLU  30   9.943  10.133  -0.579
  267    H    PHE  31           HN       PHE  31  10.001   6.815   2.573
  268    HA   PHE  31           HA       PHE  31  12.041   6.931   4.693
  269   1HB   PHE  31          HB2       PHE  31  10.442   5.401   5.986
  270   2HB   PHE  31          HB1       PHE  31  10.009   7.104   5.866
  271    HD1  PHE  31           HD1      PHE  31   8.912   3.779   5.393
  272    HD2  PHE  31           HD2      PHE  31   8.392   7.749   3.957
  273    HE1  PHE  31           HE1      PHE  31   6.726   3.149   4.456
  274    HE2  PHE  31           HE2      PHE  31   6.205   7.129   3.018
  275    HZ   PHE  31           HZ       PHE  31   5.365   4.831   3.270
  276    H    ASP  32           HN       ASP  32  13.094   5.023   5.245
  277    HA   ASP  32           HA       ASP  32  12.927   2.885   3.227
  278   1HB   ASP  32          HB2       ASP  32  15.217   2.259   4.304
  279   2HB   ASP  32          HB1       ASP  32  15.145   3.628   3.199
  280    H    TRP  33           HN       TRP  33  11.292   1.642   4.098
  281    HA   TRP  33           HA       TRP  33  11.698   0.686   6.846
  282   1HB   TRP  33          HB2       TRP  33   9.689   1.893   6.831
  283   2HB   TRP  33          HB1       TRP  33   9.225   1.284   5.249
  284    HD1  TRP  33           HD1      TRP  33   9.459   0.057   8.915
  285    HE1  TRP  33           HE1      TRP  33   7.692  -1.789   9.236
  286    HE3  TRP  33           HE3      TRP  33   7.788  -0.305   4.104
  287    HZ2  TRP  33           HZ2      TRP  33   5.834  -3.213   7.651
  288    HZ3  TRP  33           HZ3      TRP  33   6.016  -1.929   3.585
  289    HH2  TRP  33           HH2      TRP  33   5.062  -3.355   5.320
  290    H    TYR  34           HN       TYR  34  11.189  -1.443   7.391
  291    HA   TYR  34           HA       TYR  34  11.335  -3.359   5.156
  292   1HB   TYR  34          HB2       TYR  34  13.339  -3.626   6.372
  293   2HB   TYR  34          HB1       TYR  34  12.539  -3.393   7.920
  294    HD1  TYR  34           HD1      TYR  34  12.912  -5.787   5.109
  295    HD2  TYR  34           HD2      TYR  34  11.776  -5.231   9.169
  296    HE1  TYR  34           HE1      TYR  34  12.772  -8.225   5.397
  297    HE2  TYR  34           HE2      TYR  34  11.630  -7.667   9.468
  298    HH   TYR  34           HH       TYR  34  12.545  -9.708   8.432
  299    H    TYR  35           HN       TYR  35   9.889  -5.079   5.146
  300    HA   TYR  35           HA       TYR  35   7.456  -4.656   6.556
  301   1HB   TYR  35          HB2       TYR  35   8.367  -6.274   4.356
  302   2HB   TYR  35          HB1       TYR  35   7.396  -7.235   5.460
  303    HD1  TYR  35           HD1      TYR  35   7.392  -4.351   3.220
  304    HD2  TYR  35           HD2      TYR  35   5.045  -6.849   5.732
  305    HE1  TYR  35           HE1      TYR  35   5.358  -3.403   2.245
  306    HE2  TYR  35           HE2      TYR  35   2.992  -5.907   4.761
  307    HH   TYR  35           HH       TYR  35   2.772  -4.423   2.011
  308    H    ASP  36           HN       ASP  36   6.352  -6.790   7.428
  309    HA   ASP  36           HA       ASP  36   7.880  -8.658   8.865
  310   1HB   ASP  36          HB2       ASP  36   8.328  -6.424  10.110
  311   2HB   ASP  36          HB1       ASP  36   6.686  -6.611  10.716
  312    H    THR  37           HN       THR  37   5.494  -8.498   7.235
  313    HA   THR  37           HA       THR  37   3.874 -10.390   8.317
  314    HB   THR  37           HB       THR  37   3.085  -9.197  10.141
  315    HG1  THR  37           HG1      THR  37   0.979  -8.573   9.644
  316   1HG2  THR  37          HG21      THR  37   2.214  -6.682   9.238
  317   2HG2  THR  37          HG22      THR  37   3.875  -6.890   8.684
  318   3HG2  THR  37          HG23      THR  37   3.492  -7.047  10.398
  319    H    ASN  38           HN       ASN  38   1.840 -10.697   7.169
  320    HA   ASN  38           HA       ASN  38   2.004  -9.785   4.448
  321   1HB   ASN  38          HB2       ASN  38   0.090 -11.566   5.951
  322   2HB   ASN  38          HB1       ASN  38  -0.218 -11.084   4.284
  323   1HD2  ASN  38          HD21      ASN  38   2.114 -11.214   3.057
  324   2HD2  ASN  38          HD22      ASN  38   2.786 -12.805   3.128
  325    H    GLU  39           HN       GLU  39   1.433  -7.735   4.012
  326    HA   GLU  39           HA       GLU  39  -0.919  -6.637   5.397
  327   1HB   GLU  39          HB1       GLU  39   1.135  -5.399   5.814
  328   2HB   GLU  39          HB2       GLU  39   1.398  -5.215   4.086
  329   1HG   GLU  39          HG2       GLU  39  -0.115  -3.557   3.878
  330   2HG   GLU  39          HG1       GLU  39  -1.167  -4.207   5.136
  331    H    THR  40           HN       THR  40  -2.481  -5.525   4.332
  332    HA   THR  40           HA       THR  40  -2.402  -5.354   1.422
  333    HB   THR  40           HB       THR  40  -4.501  -6.808   3.026
  334    HG1  THR  40           HG1      THR  40  -2.970  -8.135   2.158
  335   1HG2  THR  40          HG21      THR  40  -4.855  -5.949   0.170
  336   2HG2  THR  40          HG22      THR  40  -5.649  -5.179   1.543
  337   3HG2  THR  40          HG23      THR  40  -5.983  -6.869   1.166
  338    H    CYS  41           HN       CYS  41  -2.770  -3.268   0.980
  339    HA   CYS  41           HA       CYS  41  -4.602  -1.780   2.739
  340   1HB   CYS  41          HB2       CYS  41  -3.031   0.213   2.134
  341   2HB   CYS  41          HB1       CYS  41  -2.553  -0.914   3.400
  342    HG   CYS  41           HG       CYS  41  -1.366  -1.128   0.533
  343    H    TYR  42           HN       TYR  42  -5.568   0.096   1.804
  344    HA   TYR  42           HA       TYR  42  -5.753   0.048  -1.130
  345   1HB   TYR  42          HB1       TYR  42  -7.789  -0.908  -0.620
  346   2HB   TYR  42          HB2       TYR  42  -7.874  -0.126   0.953
  347    HD1  TYR  42           HD1      TYR  42  -8.937   1.999   1.230
  348    HD2  TYR  42           HD2      TYR  42  -8.537   0.291  -2.645
  349    HE1  TYR  42           HE1      TYR  42 -10.542   3.639   0.351
  350    HE2  TYR  42           HE2      TYR  42 -10.142   1.929  -3.537
  351    HH   TYR  42           HH       TYR  42 -12.130   3.347  -2.437
  352    H    ILE  43           HN       ILE  43  -5.280   1.956  -2.014
  353    HA   ILE  43           HA       ILE  43  -4.853   4.256  -0.329
  354    HB   ILE  43           HB       ILE  43  -4.641   4.053  -3.332
  355   1HG1  ILE  43          HG12      ILE  43  -2.136   4.334  -1.965
  356   2HG1  ILE  43          HG11      ILE  43  -3.006   2.955  -1.296
  357   1HG2  ILE  43          HG21      ILE  43  -3.727   6.174  -1.399
  358   2HG2  ILE  43          HG22      ILE  43  -4.920   6.341  -2.686
  359   3HG2  ILE  43          HG23      ILE  43  -3.222   6.083  -3.086
  360   1HD1  ILE  43          HD11      ILE  43  -3.347   2.531  -3.932
  361   2HD1  ILE  43          HD12      ILE  43  -2.022   1.862  -2.978
  362   3HD1  ILE  43          HD13      ILE  43  -1.776   3.331  -3.926
  363    H    LEU  44           HN       LEU  44  -5.904   6.190  -0.355
  364    HA   LEU  44           HA       LEU  44  -8.524   6.241  -1.698
  365   1HB   LEU  44          HB2       LEU  44  -8.801   6.116   0.689
  366   2HB   LEU  44          HB1       LEU  44  -7.652   7.416   0.940
  367    HG   LEU  44           HG       LEU  44  -9.304   8.895  -0.350
  368   1HD1  LEU  44          HD21      LEU  44 -10.786   6.358  -0.180
  369   2HD1  LEU  44          HD22      LEU  44 -10.927   7.685  -1.335
  370   3HD1  LEU  44          HD23      LEU  44 -11.697   7.806   0.247
  371   1HD2  LEU  44          HD11      LEU  44 -10.147   9.618   1.627
  372   2HD2  LEU  44          HD12      LEU  44  -8.909   8.531   2.257
  373   3HD2  LEU  44          HD13      LEU  44 -10.587   7.995   2.161
  374    H    GLU  45           HN       GLU  45  -5.498   7.828  -1.262
  375    HA   GLU  45           HA       GLU  45  -5.782   9.555  -3.410
  376   1HB   GLU  45          HB2       GLU  45  -6.004  11.743  -2.282
  377   2HB   GLU  45          HB1       GLU  45  -7.444  10.752  -2.097
  378   1HG   GLU  45          HG1       GLU  45  -6.098  10.061   0.132
  379   2HG   GLU  45          HG2       GLU  45  -5.535  11.719  -0.081
  380    H    GLY  46           HN       GLY  46  -3.679   9.275  -3.938
  381   1HA   GLY  46          HA2       GLY  46  -1.627  10.757  -2.984
  382   2HA   GLY  46          HA1       GLY  46  -1.603   9.355  -1.926
  383    H    LYS  47           HN       LYS  47   0.601   9.878  -3.423
  384    HA   LYS  47           HA       LYS  47   0.556   7.650  -5.334
  385   1HB   LYS  47          HB1       LYS  47   0.743  10.333  -6.087
  386   2HB   LYS  47          HB2       LYS  47   2.394   9.736  -6.159
  387   1HG   LYS  47          HG1       LYS  47   0.945   7.739  -7.379
  388   2HG   LYS  47          HG2       LYS  47   0.147   9.219  -7.915
  389   1HD   LYS  47          HD2       LYS  47   1.788   8.988  -9.515
  390   2HD   LYS  47          HD1       LYS  47   2.597  10.031  -8.343
  391   1HE   LYS  47          HE1       LYS  47   4.236   8.481  -8.618
  392   2HE   LYS  47          HE2       LYS  47   3.324   7.688  -7.334
  393   1HZ   LYS  47          HZ1       LYS  47   3.479   7.019 -10.187
  394   2HZ   LYS  47          HZ2       LYS  47   2.065   6.641  -9.339
  395   3HZ   LYS  47          HZ3       LYS  47   3.549   6.000  -8.840
  396    H    VAL  48           HN       VAL  48   2.099   6.218  -4.938
  397    HA   VAL  48           HA       VAL  48   4.587   7.129  -3.667
  398    HB   VAL  48           HB       VAL  48   2.815   4.880  -2.741
  399   1HG1  VAL  48          HG21      VAL  48   5.785   5.103  -2.451
  400   2HG1  VAL  48          HG22      VAL  48   4.790   3.676  -2.743
  401   3HG1  VAL  48          HG23      VAL  48   4.825   4.414  -1.141
  402   1HG2  VAL  48          HG11      VAL  48   3.882   7.409  -1.642
  403   2HG2  VAL  48          HG12      VAL  48   3.717   6.054  -0.527
  404   3HG2  VAL  48          HG13      VAL  48   2.309   6.644  -1.411
  405    H    GLU  49           HN       GLU  49   6.381   6.366  -4.558
  406    HA   GLU  49           HA       GLU  49   6.151   4.184  -6.520
  407   1HB   GLU  49          HB1       GLU  49   8.236   6.371  -6.384
  408   2HB   GLU  49          HB2       GLU  49   8.134   5.117  -7.610
  409   1HG   GLU  49          HG1       GLU  49   5.891   6.027  -8.230
  410   2HG   GLU  49          HG2       GLU  49   6.204   7.370  -7.131
  411    H    VAL  50           HN       VAL  50   6.812   2.336  -5.648
  412    HA   VAL  50           HA       VAL  50   8.865   2.387  -3.567
  413    HB   VAL  50           HB       VAL  50   6.939   0.208  -4.387
  414   1HG1  VAL  50          HG11      VAL  50   8.799  -0.952  -3.564
  415   2HG1  VAL  50          HG12      VAL  50   7.714  -0.821  -2.179
  416   3HG1  VAL  50          HG13      VAL  50   9.109   0.251  -2.310
  417   1HG2  VAL  50          HG21      VAL  50   6.034   2.252  -3.212
  418   2HG2  VAL  50          HG22      VAL  50   7.002   1.774  -1.818
  419   3HG2  VAL  50          HG23      VAL  50   5.729   0.709  -2.415
  420    H    THR  51           HN       THR  51  10.794   1.437  -3.737
  421    HA   THR  51           HA       THR  51  11.349  -0.229  -6.092
  422    HB   THR  51           HB       THR  51  13.284   1.777  -4.919
  423    HG1  THR  51           HG1      THR  51  12.533   3.178  -6.280
  424   1HG2  THR  51          HG21      THR  51  13.560  -0.341  -6.890
  425   2HG2  THR  51          HG22      THR  51  14.791   0.571  -6.015
  426   3HG2  THR  51          HG23      THR  51  14.071   1.241  -7.480
  427    H    THR  52           HN       THR  52  11.795  -2.210  -5.378
  428    HA   THR  52           HA       THR  52  12.722  -2.604  -2.661
  429    HB   THR  52           HB       THR  52  12.102  -4.842  -2.901
  430    HG1  THR  52           HG1      THR  52  12.806  -5.837  -4.593
  431   1HG2  THR  52          HG21      THR  52   9.931  -4.814  -3.535
  432   2HG2  THR  52          HG22      THR  52  10.254  -3.913  -5.015
  433   3HG2  THR  52          HG23      THR  52  10.224  -3.077  -3.463
  434    H    GLU  53           HN       GLU  53  14.596  -3.706  -2.055
  435    HA   GLU  53           HA       GLU  53  16.921  -3.084  -3.481
  436   1HB   GLU  53          HB2       GLU  53  18.010  -4.755  -1.906
  437   2HB   GLU  53          HB1       GLU  53  17.133  -3.433  -1.149
  438   1HG   GLU  53          HG1       GLU  53  15.379  -4.811  -0.489
  439   2HG   GLU  53          HG2       GLU  53  15.821  -6.078  -1.633
  440    H    ASP  54           HN       ASP  54  14.972  -6.016  -3.382
  441    HA   ASP  54           HA       ASP  54  16.647  -7.794  -4.684
  442   1HB   ASP  54          HB2       ASP  54  14.347  -8.242  -3.682
  443   2HB   ASP  54          HB1       ASP  54  13.674  -7.625  -5.187
  444    H    GLY  55           HN       GLY  55  14.792  -5.124  -5.946
  445   1HA   GLY  55          HA2       GLY  55  15.772  -4.101  -7.976
  446   2HA   GLY  55          HA1       GLY  55  15.856  -5.727  -8.636
  447    H    LYS  56           HN       LYS  56  13.067  -4.968  -6.778
  448    HA   LYS  56           HA       LYS  56  11.470  -4.957  -9.232
  449   1HB   LYS  56          HB1       LYS  56  10.293  -5.180  -6.485
  450   2HB   LYS  56          HB2       LYS  56   9.701  -5.833  -8.004
  451   1HG   LYS  56          HG1       LYS  56  12.153  -7.081  -7.611
  452   2HG   LYS  56          HG2       LYS  56  11.392  -7.048  -6.018
  453   1HD   LYS  56          HD1       LYS  56  10.212  -8.827  -6.653
  454   2HD   LYS  56          HD2       LYS  56   9.344  -7.759  -7.758
  455   1HE   LYS  56          HE2       LYS  56  10.125  -9.578  -9.056
  456   2HE   LYS  56          HE1       LYS  56  11.159  -8.203  -9.442
  457   1HZ   LYS  56          HZ1       LYS  56  12.111  -9.849  -7.268
  458   2HZ   LYS  56          HZ2       LYS  56  12.949  -9.211  -8.592
  459   3HZ   LYS  56          HZ3       LYS  56  12.057 -10.637  -8.764
  460    H    LYS  57           HN       LYS  57   9.270  -3.702  -8.791
  461    HA   LYS  57           HA       LYS  57   9.611  -1.231  -7.357
  462   1HB   LYS  57          HB1       LYS  57  10.654  -1.172  -9.839
  463   2HB   LYS  57          HB2       LYS  57   8.985  -0.773 -10.219
  464   1HG   LYS  57          HG1       LYS  57   9.045   1.203  -9.001
  465   2HG   LYS  57          HG2       LYS  57  10.454   0.694  -8.066
  466   1HD   LYS  57          HD1       LYS  57  10.642   1.068 -11.033
  467   2HD   LYS  57          HD2       LYS  57  10.761   2.450  -9.943
  468   1HE   LYS  57          HE2       LYS  57  12.678   1.555  -8.872
  469   2HE   LYS  57          HE1       LYS  57  12.464  -0.012  -9.653
  470   1HZ   LYS  57          HZ1       LYS  57  14.019   0.823 -11.031
  471   2HZ   LYS  57          HZ2       LYS  57  13.637   2.436 -10.695
  472   3HZ   LYS  57          HZ3       LYS  57  12.689   1.551 -11.781
  473    H    TYR  58           HN       TYR  58   7.690  -0.499  -6.665
  474    HA   TYR  58           HA       TYR  58   5.274  -1.518  -8.006
  475   1HB   TYR  58          HB2       TYR  58   5.321  -0.955  -5.060
  476   2HB   TYR  58          HB1       TYR  58   4.246  -2.010  -5.973
  477    HD1  TYR  58           HD1      TYR  58   5.867  -3.838  -7.382
  478    HD2  TYR  58           HD2      TYR  58   6.572  -2.146  -3.543
  479    HE1  TYR  58           HE1      TYR  58   7.261  -5.777  -6.790
  480    HE2  TYR  58           HE2      TYR  58   7.968  -4.078  -2.940
  481    HH   TYR  58           HH       TYR  58   9.182  -5.846  -3.904
  482    H    VAL  59           HN       VAL  59   4.019   0.023  -8.777
  483    HA   VAL  59           HA       VAL  59   4.157   2.704  -7.562
  484    HB   VAL  59           HB       VAL  59   3.417   3.617  -9.705
  485   1HG1  VAL  59          HG11      VAL  59   5.921   2.100  -9.398
  486   2HG1  VAL  59          HG12      VAL  59   5.662   3.803  -9.782
  487   3HG1  VAL  59          HG13      VAL  59   5.516   2.581 -11.047
  488   1HG2  VAL  59          HG21      VAL  59   2.259   2.243 -11.031
  489   2HG2  VAL  59          HG22      VAL  59   2.962   0.802 -10.297
  490   3HG2  VAL  59          HG23      VAL  59   3.826   1.650 -11.579
  491    H    ILE  60           HN       ILE  60   2.437   3.152  -6.364
  492    HA   ILE  60           HA       ILE  60  -0.186   2.144  -7.244
  493    HB   ILE  60           HB       ILE  60  -0.805   1.924  -4.851
  494   1HG1  ILE  60          HG11      ILE  60   1.975   1.729  -3.946
  495   2HG1  ILE  60          HG12      ILE  60   1.507   3.368  -4.389
  496   1HG2  ILE  60          HG21      ILE  60   0.890  -0.074  -4.499
  497   2HG2  ILE  60          HG22      ILE  60   1.272   0.283  -6.183
  498   3HG2  ILE  60          HG23      ILE  60  -0.379  -0.132  -5.723
  499   1HD1  ILE  60          HD11      ILE  60   1.201   2.715  -1.973
  500   2HD1  ILE  60          HD12      ILE  60  -0.119   1.680  -2.519
  501   3HD1  ILE  60          HD13      ILE  60  -0.201   3.423  -2.777
  502    H    GLU  61           HN       GLU  61  -1.705   3.653  -7.469
  503    HA   GLU  61           HA       GLU  61  -1.476   6.144  -5.953
  504   1HB   GLU  61          HB2       GLU  61  -0.425   6.579  -8.119
  505   2HB   GLU  61          HB1       GLU  61  -1.862   5.997  -8.948
  506   1HG   GLU  61          HG1       GLU  61  -3.159   7.821  -7.924
  507   2HG   GLU  61          HG2       GLU  61  -1.677   8.424  -7.184
  508    H    LYS  62           HN       LYS  62  -3.325   7.221  -5.558
  509    HA   LYS  62           HA       LYS  62  -5.529   6.875  -4.688
  510   1HB   LYS  62          HB1       LYS  62  -5.338   8.850  -6.076
  511   2HB   LYS  62          HB2       LYS  62  -5.630   7.898  -7.524
  512   1HG   LYS  62          HG1       LYS  62  -7.580   9.235  -6.709
  513   2HG   LYS  62          HG2       LYS  62  -7.888   7.511  -6.927
  514   1HD   LYS  62          HD1       LYS  62  -6.945   8.132  -4.250
  515   2HD   LYS  62          HD2       LYS  62  -8.425   9.001  -4.658
  516   1HE   LYS  62          HE1       LYS  62  -8.648   6.302  -5.561
  517   2HE   LYS  62          HE2       LYS  62  -8.145   6.306  -3.870
  518   1HZ   LYS  62          HZ1       LYS  62 -10.037   7.510  -3.244
  519   2HZ   LYS  62          HZ2       LYS  62 -10.615   6.341  -4.323
  520   3HZ   LYS  62          HZ3       LYS  62 -10.414   7.941  -4.835
  521    H    GLY  63           HN       GLY  63  -6.672   5.110  -4.301
  522   1HA   GLY  63          HA1       GLY  63  -8.269   3.488  -4.681
  523   2HA   GLY  63          HA2       GLY  63  -8.340   4.009  -6.356
  524    H    ASP  64           HN       ASP  64  -5.440   2.945  -4.685
  525    HA   ASP  64           HA       ASP  64  -5.425   0.536  -6.376
  526   1HB   ASP  64          HB1       ASP  64  -3.664   2.623  -6.608
  527   2HB   ASP  64          HB2       ASP  64  -2.798   1.545  -5.517
  528    H    LEU  65           HN       LEU  65  -4.513  -1.339  -5.488
  529    HA   LEU  65           HA       LEU  65  -3.836  -1.263  -2.655
  530   1HB   LEU  65          HB2       LEU  65  -5.380  -2.796  -1.938
  531   2HB   LEU  65          HB1       LEU  65  -6.301  -1.818  -3.055
  532    HG   LEU  65           HG       LEU  65  -5.214  -4.571  -3.563
  533   1HD1  LEU  65          HD21      LEU  65  -7.188  -5.299  -2.860
  534   2HD1  LEU  65          HD22      LEU  65  -8.020  -4.214  -3.976
  535   3HD1  LEU  65          HD23      LEU  65  -7.577  -3.649  -2.363
  536   1HD2  LEU  65          HD11      LEU  65  -5.152  -3.973  -5.703
  537   2HD2  LEU  65          HD12      LEU  65  -6.023  -2.476  -5.388
  538   3HD2  LEU  65          HD13      LEU  65  -6.915  -3.976  -5.615
  539    H    VAL  66           HN       VAL  66  -2.254  -2.678  -2.079
  540    HA   VAL  66           HA       VAL  66  -1.347  -4.589  -4.128
  541    HB   VAL  66           HB       VAL  66   0.368  -2.677  -2.542
  542   1HG1  VAL  66          HG21      VAL  66   1.203  -4.897  -4.409
  543   2HG1  VAL  66          HG22      VAL  66   1.505  -4.814  -2.674
  544   3HG1  VAL  66          HG23      VAL  66   2.277  -3.658  -3.758
  545   1HG2  VAL  66          HG11      VAL  66  -0.350  -2.929  -5.442
  546   2HG2  VAL  66          HG12      VAL  66   1.056  -2.018  -4.896
  547   3HG2  VAL  66          HG13      VAL  66  -0.561  -1.542  -4.375
  548    H    THR  67           HN       THR  67  -0.128  -6.373  -3.416
  549    HA   THR  67           HA       THR  67  -0.673  -7.124  -0.624
  550    HB   THR  67           HB       THR  67  -0.166  -8.761  -3.114
  551    HG1  THR  67           HG1      THR  67  -2.282  -8.928  -1.246
  552   1HG2  THR  67          HG21      THR  67  -0.007  -9.626  -0.265
  553   2HG2  THR  67          HG22      THR  67   0.995 -10.089  -1.640
  554   3HG2  THR  67          HG23      THR  67  -0.644 -10.721  -1.493
  555    H    PHE  68           HN       PHE  68   1.019  -7.873   0.694
  556    HA   PHE  68           HA       PHE  68   3.717  -7.695  -0.433
  557   1HB   PHE  68          HB2       PHE  68   2.948  -6.369   2.170
  558   2HB   PHE  68          HB1       PHE  68   4.508  -6.294   1.355
  559    HD1  PHE  68           HD1      PHE  68   0.985  -5.226   1.164
  560    HD2  PHE  68           HD2      PHE  68   4.924  -4.733  -0.367
  561    HE1  PHE  68           HE1      PHE  68   0.263  -3.196  -0.025
  562    HE2  PHE  68           HE2      PHE  68   4.211  -2.702  -1.560
  563    HZ   PHE  68           HZ       PHE  68   1.873  -1.937  -1.396
  564    HA   PRO  69           HA       PRO  69   4.228 -11.277   2.148
  565   1HB   PRO  69          HB1       PRO  69   6.692 -11.936   1.403
  566   2HB   PRO  69          HB2       PRO  69   5.365 -11.976   0.239
  567   1HG   PRO  69          HG1       PRO  69   7.516  -9.937   0.594
  568   2HG   PRO  69          HG2       PRO  69   6.794 -10.556  -0.902
  569   1HD   PRO  69          HD2       PRO  69   6.111  -8.165   0.383
  570   2HD   PRO  69          HD1       PRO  69   5.152  -8.987  -0.862
  571    H    LYS  70           HN       LYS  70   5.123 -11.857   4.104
  572    HA   LYS  70           HA       LYS  70   6.205  -9.854   5.751
  573   1HB   LYS  70          HB1       LYS  70   4.960 -11.846   6.574
  574   2HB   LYS  70          HB2       LYS  70   6.350 -12.845   6.169
  575   1HG   LYS  70          HG1       LYS  70   7.694 -11.807   7.815
  576   2HG   LYS  70          HG2       LYS  70   6.511 -10.525   8.070
  577   1HD   LYS  70          HD1       LYS  70   6.026 -11.855   9.862
  578   2HD   LYS  70          HD2       LYS  70   4.949 -12.573   8.661
  579   1HE   LYS  70          HE2       LYS  70   6.036 -14.514   8.721
  580   2HE   LYS  70          HE1       LYS  70   7.601 -13.719   8.540
  581   1HZ   LYS  70          HZ1       LYS  70   7.080 -15.046  10.680
  582   2HZ   LYS  70          HZ2       LYS  70   6.228 -13.660  11.142
  583   3HZ   LYS  70          HZ3       LYS  70   7.881 -13.561  10.803
  584    H    GLY  71           HN       GLY  71   8.078  -8.944   5.202
  585   1HA   GLY  71          HA2       GLY  71  10.511  -9.410   5.787
  586   2HA   GLY  71          HA1       GLY  71  10.372 -10.688   4.591
  587    H    LEU  72           HN       LEU  72   8.479  -8.505   3.243
  588    HA   LEU  72           HA       LEU  72  10.273  -7.764   1.245
  589   1HB   LEU  72          HB2       LEU  72   7.999  -7.787   0.689
  590   2HB   LEU  72          HB1       LEU  72   7.556  -6.787   2.055
  591    HG   LEU  72           HG       LEU  72   8.185  -4.814   0.987
  592   1HD1  LEU  72          HD11      LEU  72   9.411  -5.249  -1.397
  593   2HD1  LEU  72          HD12      LEU  72  10.102  -6.538  -0.411
  594   3HD1  LEU  72          HD13      LEU  72  10.247  -4.858   0.106
  595   1HD2  LEU  72          HD21      LEU  72   6.280  -6.221  -0.107
  596   2HD2  LEU  72          HD22      LEU  72   7.402  -6.321  -1.464
  597   3HD2  LEU  72          HD23      LEU  72   6.855  -4.747  -0.886
  598    H    ARG  73           HN       ARG  73  12.027  -6.555   1.577
  599    HA   ARG  73           HA       ARG  73  11.806  -4.135   3.232
  600   1HB   ARG  73          HB1       ARG  73  13.707  -6.018   3.358
  601   2HB   ARG  73          HB2       ARG  73  14.420  -5.007   2.109
  602   1HG   ARG  73          HG1       ARG  73  13.472  -3.431   4.340
  603   2HG   ARG  73          HG2       ARG  73  14.632  -4.661   4.845
  604   1HD   ARG  73          HD2       ARG  73  16.019  -2.899   4.310
  605   2HD   ARG  73          HD1       ARG  73  16.010  -3.821   2.808
  606    HE   ARG  73           HE       ARG  73  13.994  -1.780   2.903
  607   1HH1  ARG  73          HH21      ARG  73  17.330  -2.467   2.180
  608   2HH1  ARG  73          HH22      ARG  73  17.504  -1.132   1.091
  609   1HH2  ARG  73          HH12      ARG  73  14.212  -0.017   1.471
  610   2HH2  ARG  73          HH11      ARG  73  15.732   0.262   0.688
  611    H    CYS  74           HN       CYS  74  11.381  -2.304   2.156
  612    HA   CYS  74           HA       CYS  74  12.807  -1.740  -0.311
  613   1HB   CYS  74          HB2       CYS  74  10.679  -1.127  -1.500
  614   2HB   CYS  74          HB1       CYS  74  10.898  -2.853  -1.232
  615    HG   CYS  74           HG       CYS  74   9.208  -1.749   0.967
  616    H    ARG  75           HN       ARG  75  12.540   0.474  -1.044
  617    HA   ARG  75           HA       ARG  75  12.293   2.293   1.209
  618   1HB   ARG  75          HB1       ARG  75  14.230   2.610  -0.167
  619   2HB   ARG  75          HB2       ARG  75  13.259   2.643  -1.632
  620   1HG   ARG  75          HG2       ARG  75  13.854   4.870  -1.221
  621   2HG   ARG  75          HG1       ARG  75  12.174   4.733  -0.700
  622   1HD   ARG  75          HD2       ARG  75  13.064   5.859   1.082
  623   2HD   ARG  75          HD1       ARG  75  13.272   4.193   1.621
  624    HE   ARG  75           HE       ARG  75  15.541   4.462   1.477
  625   1HH1  ARG  75          HH12      ARG  75  13.970   7.059  -0.231
  626   2HH1  ARG  75          HH11      ARG  75  15.433   7.950  -0.483
  627   1HH2  ARG  75          HH22      ARG  75  17.473   5.629   1.150
  628   2HH2  ARG  75          HH21      ARG  75  17.425   7.138   0.302
  629    H    TRP  76           HN       TRP  76  10.825   3.975   1.345
  630    HA   TRP  76           HA       TRP  76   8.575   3.834  -0.552
  631   1HB   TRP  76          HB1       TRP  76   8.662   4.469   2.393
  632   2HB   TRP  76          HB2       TRP  76   7.278   4.893   1.392
  633    HD1  TRP  76           HD1      TRP  76   9.339   1.637   1.958
  634    HE1  TRP  76           HE1      TRP  76   7.672  -0.312   2.169
  635    HE3  TRP  76           HE3      TRP  76   4.976   4.230   1.343
  636    HZ2  TRP  76           HZ2      TRP  76   4.879  -0.699   2.091
  637    HZ3  TRP  76           HZ3      TRP  76   2.849   2.995   1.424
  638    HH2  TRP  76           HH2      TRP  76   2.803   0.582   1.789
  639    H    LYS  77           HN       LYS  77   7.689   5.724  -1.363
  640    HA   LYS  77           HA       LYS  77   8.813   8.284  -0.555
  641   1HB   LYS  77          HB1       LYS  77   8.840   7.918  -3.484
  642   2HB   LYS  77          HB2       LYS  77   9.960   8.790  -2.447
  643   1HG   LYS  77          HG2       LYS  77  11.020   6.696  -1.811
  644   2HG   LYS  77          HG1       LYS  77   9.876   5.805  -2.818
  645   1HD   LYS  77          HD2       LYS  77  11.851   7.870  -3.798
  646   2HD   LYS  77          HD1       LYS  77  12.041   6.121  -3.941
  647   1HE   LYS  77          HE1       LYS  77  11.115   6.449  -5.967
  648   2HE   LYS  77          HE2       LYS  77   9.612   6.426  -5.048
  649   1HZ   LYS  77          HZ1       LYS  77   9.220   8.454  -5.802
  650   2HZ   LYS  77          HZ2       LYS  77  10.738   8.541  -6.543
  651   3HZ   LYS  77          HZ3       LYS  77  10.555   9.022  -4.932
  652    H    VAL  78           HN       VAL  78   7.140   9.577  -0.306
  653    HA   VAL  78           HA       VAL  78   4.740   9.133  -1.931
  654    HB   VAL  78           HB       VAL  78   5.090  10.679   0.640
  655   1HG1  VAL  78          HG11      VAL  78   3.142  11.059  -1.310
  656   2HG1  VAL  78          HG12      VAL  78   3.070  11.584   0.372
  657   3HG1  VAL  78          HG13      VAL  78   2.369  10.038  -0.102
  658   1HG2  VAL  78          HG21      VAL  78   5.140   8.076   0.544
  659   2HG2  VAL  78          HG22      VAL  78   3.399   8.243   0.319
  660   3HG2  VAL  78          HG23      VAL  78   4.167   8.897   1.766
  661    H    LEU  79           HN       LEU  79   4.350  10.434  -3.569
  662    HA   LEU  79           HA       LEU  79   5.861  12.884  -3.910
  663   1HB   LEU  79          HB2       LEU  79   3.803  11.545  -5.673
  664   2HB   LEU  79          HB1       LEU  79   4.721  12.970  -6.116
  665    HG   LEU  79           HG       LEU  79   6.804  11.660  -6.012
  666   1HD1  LEU  79          HD21      LEU  79   4.921   9.491  -5.169
  667   2HD1  LEU  79          HD22      LEU  79   6.460   9.972  -4.454
  668   3HD1  LEU  79          HD23      LEU  79   6.434   9.108  -5.992
  669   1HD2  LEU  79          HD11      LEU  79   4.575  11.100  -7.839
  670   2HD2  LEU  79          HD12      LEU  79   5.875   9.909  -7.857
  671   3HD2  LEU  79          HD13      LEU  79   6.229  11.605  -8.183
  672    H    GLU  80           HN       GLU  80   2.593  11.843  -3.257
  673    HA   GLU  80           HA       GLU  80   1.879  14.596  -2.564
  674   1HB   GLU  80          HB1       GLU  80  -0.280  14.414  -3.648
  675   2HB   GLU  80          HB2       GLU  80   0.991  14.125  -4.828
  676   1HG   GLU  80          HG2       GLU  80   0.346  12.019  -5.207
  677   2HG   GLU  80          HG1       GLU  80  -0.028  11.717  -3.511
  678    HA   PRO  81           HA       PRO  81   0.416  13.213   1.353
  679   1HB   PRO  81          HB2       PRO  81  -2.184  14.316   0.320
  680   2HB   PRO  81          HB1       PRO  81  -1.475  14.461   1.935
  681   1HG   PRO  81          HG2       PRO  81  -1.222  16.453   0.197
  682   2HG   PRO  81          HG1       PRO  81   0.141  15.988   1.227
  683   1HD   PRO  81          HD1       PRO  81  -0.260  15.561  -1.682
  684   2HD   PRO  81          HD2       PRO  81   1.249  15.704  -0.757
  685    H    VAL  82           HN       VAL  82   0.110  11.145   1.756
  686    HA   VAL  82           HA       VAL  82  -1.651   9.611   0.005
  687    HB   VAL  82           HB       VAL  82   0.960   9.190   0.902
  688   1HG1  VAL  82          HG21      VAL  82  -0.182   8.172   2.969
  689   2HG1  VAL  82          HG22      VAL  82   1.090   7.254   2.162
  690   3HG1  VAL  82          HG23      VAL  82  -0.603   6.840   1.889
  691   1HG2  VAL  82          HG11      VAL  82   0.473   6.901  -0.308
  692   2HG2  VAL  82          HG12      VAL  82   0.535   8.430  -1.186
  693   3HG2  VAL  82          HG13      VAL  82  -1.022   7.730  -0.740
  694    H    ARG  83           HN       ARG  83  -3.347   8.479   0.677
  695    HA   ARG  83           HA       ARG  83  -3.862   8.160   3.542
  696   1HB   ARG  83          HB2       ARG  83  -5.171  10.088   2.060
  697   2HB   ARG  83          HB1       ARG  83  -6.279   8.725   1.977
  698   1HG   ARG  83          HG1       ARG  83  -7.024   9.198   4.000
  699   2HG   ARG  83          HG2       ARG  83  -5.404   8.982   4.663
  700   1HD   ARG  83          HD1       ARG  83  -5.559  11.146   5.219
  701   2HD   ARG  83          HD2       ARG  83  -5.204  11.444   3.517
  702    HE   ARG  83           HE       ARG  83  -7.971  11.101   3.823
  703   1HH1  ARG  83          HH11      ARG  83  -5.450  13.358   4.643
  704   2HH1  ARG  83          HH12      ARG  83  -6.503  14.734   4.644
  705   1HH2  ARG  83          HH21      ARG  83  -9.367  12.906   3.820
  706   2HH2  ARG  83          HH22      ARG  83  -8.730  14.476   4.175
  707    H    LYS  84           HN       LYS  84  -3.995   5.987   3.809
  708    HA   LYS  84           HA       LYS  84  -5.517   4.476   1.807
  709   1HB   LYS  84          HB2       LYS  84  -3.830   3.040   1.296
  710   2HB   LYS  84          HB1       LYS  84  -2.858   4.447   1.686
  711   1HG   LYS  84          HG1       LYS  84  -2.922   3.344   4.102
  712   2HG   LYS  84          HG2       LYS  84  -3.169   1.886   3.137
  713   1HD   LYS  84          HD2       LYS  84  -0.869   3.831   2.969
  714   2HD   LYS  84          HD1       LYS  84  -0.814   2.153   3.513
  715   1HE   LYS  84          HE1       LYS  84  -0.211   1.673   1.417
  716   2HE   LYS  84          HE2       LYS  84  -1.910   1.920   1.018
  717   1HZ   LYS  84          HZ1       LYS  84  -1.401   3.707  -0.170
  718   2HZ   LYS  84          HZ2       LYS  84   0.233   3.308   0.009
  719   3HZ   LYS  84          HZ3       LYS  84  -0.499   4.387   1.088
  720    H    HIS  85           HN       HIS  85  -6.243   2.380   2.475
  721    HA   HIS  85           HA       HIS  85  -6.844   2.283   5.343
  722   1HB   HIS  85          HB1       HIS  85  -8.108   0.758   3.051
  723   2HB   HIS  85          HB2       HIS  85  -8.637   0.725   4.731
  724    HD1  HIS  85           HD1      HIS  85 -10.816   1.917   4.732
  725    HD2  HIS  85           HD2      HIS  85  -7.938   3.917   2.508
  726    HE1  HIS  85           HE1      HIS  85 -11.894   4.078   4.033
  727    HE2  HIS  85           HE2      HIS  85 -10.134   5.276   2.685
  728    H    TYR  86           HN       TYR  86  -6.834   0.074   6.343
  729    HA   TYR  86           HA       TYR  86  -4.514  -1.421   5.315
  730   1HB   TYR  86          HB2       TYR  86  -5.380  -0.756   8.113
  731   2HB   TYR  86          HB1       TYR  86  -4.200  -2.016   7.783
  732    HD1  TYR  86           HD1      TYR  86  -4.473   1.232   8.803
  733    HD2  TYR  86           HD2      TYR  86  -2.356  -1.113   5.958
  734    HE1  TYR  86           HE1      TYR  86  -2.692   2.923   8.748
  735    HE2  TYR  86           HE2      TYR  86  -0.566   0.565   5.892
  736    HH   TYR  86           HH       TYR  86  -0.673   3.397   6.549
  737    H    ASN  87           HN       ASN  87  -4.348  -3.626   5.702
  738    HA   ASN  87           HA       ASN  87  -6.542  -5.134   6.789
  739   1HB   ASN  87          HB2       ASN  87  -6.986  -4.519   4.250
  740   2HB   ASN  87          HB1       ASN  87  -5.875  -5.851   3.965
  741   1HD2  ASN  87          HD21      ASN  87  -7.389  -7.189   3.071
  742   2HD2  ASN  87          HD22      ASN  87  -8.673  -7.903   3.980
  743    H    LEU  88           HN       LEU  88  -4.273  -5.183   7.940
  744    HA   LEU  88           HA       LEU  88  -2.411  -7.079   6.789
  745   1HB   LEU  88          HB1       LEU  88  -2.399  -5.769   9.511
  746   2HB   LEU  88          HB2       LEU  88  -1.078  -6.675   8.798
  747    HG   LEU  88           HG       LEU  88  -1.083  -4.908   6.943
  748   1HD1  LEU  88          HD11      LEU  88  -3.042  -3.762   8.858
  749   2HD1  LEU  88          HD12      LEU  88  -2.997  -3.682   7.097
  750   3HD1  LEU  88          HD13      LEU  88  -1.916  -2.668   8.053
  751   1HD2  LEU  88          HD21      LEU  88   0.023  -3.219   8.609
  752   2HD2  LEU  88          HD22      LEU  88   0.760  -4.791   8.301
  753   3HD2  LEU  88          HD23      LEU  88  -0.195  -4.536   9.762
  754    H    PHE  89           HN       PHE  89  -1.864  -9.090   7.665
  755    HA   PHE  89           HA       PHE  89  -4.020 -10.318   9.236
  756   1HB   PHE  89          HB2       PHE  89  -1.914 -11.584   7.469
  757   2HB   PHE  89          HB1       PHE  89  -3.132 -12.474   8.376
  758    HD1  PHE  89           HD1      PHE  89  -5.149 -12.987   7.376
  759    HD2  PHE  89           HD2      PHE  89  -2.809  -9.795   5.812
  760    HE1  PHE  89           HE1      PHE  89  -6.719 -12.763   5.496
  761    HE2  PHE  89           HE2      PHE  89  -4.375  -9.566   3.928
  762    HZ   PHE  89           HZ       PHE  89  -6.332 -11.051   3.768
  Start of MODEL   10
    1   1H    MET   1          HT1       MET   1   8.057 -10.129  -5.264
    2   2H    MET   1          HT2       MET   1   8.132 -11.249  -6.561
    3   3H    MET   1          HT3       MET   1   9.535 -10.919  -5.630
    4    HA   MET   1           HA       MET   1   8.635 -13.004  -5.018
    5   1HB   MET   1          HB1       MET   1   8.529 -10.672  -3.146
    6   2HB   MET   1          HB2       MET   1   8.027 -12.252  -2.559
    7   1HG   MET   1          HG1       MET   1  10.575 -12.257  -3.994
    8   2HG   MET   1          HG2       MET   1  10.570 -11.298  -2.516
    9   1HE   MET   1          HE1       MET   1  11.126 -15.644  -2.963
   10   2HE   MET   1          HE2       MET   1  12.352 -14.376  -2.918
   11   3HE   MET   1          HE3       MET   1  11.105 -14.353  -4.165
   12    H    GLU   2           HN       GLU   2   6.302 -10.444  -4.126
   13    HA   GLU   2           HA       GLU   2   4.087 -11.845  -5.209
   14   1HB   GLU   2          HB2       GLU   2   4.831 -12.930  -2.844
   15   2HB   GLU   2          HB1       GLU   2   3.739 -11.676  -2.275
   16   1HG   GLU   2          HG2       GLU   2   1.999 -12.574  -3.797
   17   2HG   GLU   2          HG1       GLU   2   3.096 -13.893  -4.203
   18    H    VAL   3           HN       VAL   3   4.766  -9.373  -5.751
   19    HA   VAL   3           HA       VAL   3   2.921  -7.684  -4.186
   20    HB   VAL   3           HB       VAL   3   5.038  -6.433  -5.866
   21   1HG1  VAL   3          HG21      VAL   3   3.669  -4.835  -4.929
   22   2HG1  VAL   3          HG22      VAL   3   4.983  -4.910  -3.755
   23   3HG1  VAL   3          HG23      VAL   3   3.463  -5.741  -3.430
   24   1HG2  VAL   3          HG11      VAL   3   6.317  -6.484  -3.493
   25   2HG2  VAL   3          HG12      VAL   3   6.638  -7.617  -4.806
   26   3HG2  VAL   3          HG13      VAL   3   5.568  -8.080  -3.483
   27    H    LYS   4           HN       LYS   4   1.150  -7.065  -5.260
   28    HA   LYS   4           HA       LYS   4   1.308  -6.864  -8.193
   29   1HB   LYS   4          HB1       LYS   4  -0.795  -7.892  -8.462
   30   2HB   LYS   4          HB2       LYS   4   0.057  -8.896  -7.300
   31   1HG   LYS   4          HG2       LYS   4  -1.418  -6.896  -5.892
   32   2HG   LYS   4          HG1       LYS   4  -2.480  -7.705  -7.046
   33   1HD   LYS   4          HD1       LYS   4  -1.534  -9.888  -6.129
   34   2HD   LYS   4          HD2       LYS   4  -0.877  -8.913  -4.813
   35   1HE   LYS   4          HE1       LYS   4  -2.989  -9.837  -4.127
   36   2HE   LYS   4          HE2       LYS   4  -3.158  -8.094  -4.330
   37   1HZ   LYS   4          HZ1       LYS   4  -4.641 -10.120  -5.548
   38   2HZ   LYS   4          HZ2       LYS   4  -3.761  -9.343  -6.766
   39   3HZ   LYS   4          HZ3       LYS   4  -4.788  -8.449  -5.762
   40    H    ILE   5           HN       ILE   5  -0.151  -5.378  -9.196
   41    HA   ILE   5           HA       ILE   5  -1.103  -3.257  -7.379
   42    HB   ILE   5           HB       ILE   5  -0.102  -2.862 -10.201
   43   1HG1  ILE   5          HG11      ILE   5   1.796  -3.441  -8.863
   44   2HG1  ILE   5          HG12      ILE   5   1.812  -1.689  -9.044
   45   1HG2  ILE   5          HG21      ILE   5  -0.168  -0.474  -9.599
   46   2HG2  ILE   5          HG22      ILE   5  -0.883  -0.903  -8.045
   47   3HG2  ILE   5          HG23      ILE   5  -1.761  -1.229  -9.540
   48   1HD1  ILE   5          HD11      ILE   5   0.429  -1.907  -6.759
   49   2HD1  ILE   5          HD12      ILE   5   2.183  -1.747  -6.834
   50   3HD1  ILE   5          HD13      ILE   5   1.448  -3.340  -6.643
   51    H    GLU   6           HN       GLU   6  -3.250  -3.133  -7.368
   52    HA   GLU   6           HA       GLU   6  -4.717  -3.243  -9.873
   53   1HB   GLU   6          HB1       GLU   6  -4.463  -5.596  -8.595
   54   2HB   GLU   6          HB2       GLU   6  -5.868  -4.964  -7.747
   55   1HG   GLU   6          HG2       GLU   6  -7.124  -5.711  -9.403
   56   2HG   GLU   6          HG1       GLU   6  -6.376  -4.507 -10.452
   57    H    LYS   7           HN       LYS   7  -6.791  -2.341  -9.772
   58    HA   LYS   7           HA       LYS   7  -7.297  -0.767  -7.337
   59   1HB   LYS   7          HB1       LYS   7  -8.444  -0.156 -10.051
   60   2HB   LYS   7          HB2       LYS   7  -8.273   0.917  -8.669
   61   1HG   LYS   7          HG1       LYS   7  -5.973   1.175  -9.006
   62   2HG   LYS   7          HG2       LYS   7  -5.886  -0.228 -10.074
   63   1HD   LYS   7          HD1       LYS   7  -7.480   1.105 -11.598
   64   2HD   LYS   7          HD2       LYS   7  -6.992   2.501 -10.637
   65   1HE   LYS   7          HE2       LYS   7  -5.302   2.683 -12.092
   66   2HE   LYS   7          HE1       LYS   7  -4.589   1.333 -11.208
   67   1HZ   LYS   7          HZ1       LYS   7  -6.375   0.274 -13.068
   68   2HZ   LYS   7          HZ2       LYS   7  -4.688   0.145 -13.054
   69   3HZ   LYS   7          HZ3       LYS   7  -5.432   1.417 -13.885
   70    HA   PRO   8           HA       PRO   8 -10.582  -3.900  -6.994
   71   1HB   PRO   8          HB2       PRO   8 -11.139  -2.137  -4.655
   72   2HB   PRO   8          HB1       PRO   8 -11.073  -3.899  -4.744
   73   1HG   PRO   8          HG1       PRO   8  -9.066  -2.484  -3.684
   74   2HG   PRO   8          HG2       PRO   8  -8.771  -3.953  -4.631
   75   1HD   PRO   8          HD2       PRO   8  -8.327  -1.114  -5.359
   76   2HD   PRO   8          HD1       PRO   8  -7.487  -2.572  -5.916
   77    H    THR   9           HN       THR   9 -12.584  -3.851  -7.742
   78    HA   THR   9           HA       THR   9 -13.759  -1.291  -8.476
   79    HB   THR   9           HB       THR   9 -13.932  -2.749 -10.278
   80    HG1  THR   9           HG1      THR   9 -16.019  -2.764 -10.553
   81   1HG2  THR   9          HG21      THR   9 -13.338  -4.860  -9.781
   82   2HG2  THR   9          HG22      THR   9 -15.086  -5.097  -9.775
   83   3HG2  THR   9          HG23      THR   9 -14.221  -4.869  -8.255
   84    HA   PRO  10           HA       PRO  10 -16.821  -0.686  -5.382
   85   1HB   PRO  10          HB1       PRO  10 -19.100  -1.052  -7.075
   86   2HB   PRO  10          HB2       PRO  10 -18.395   0.465  -6.518
   87   1HG   PRO  10          HG2       PRO  10 -18.025  -0.957  -9.086
   88   2HG   PRO  10          HG1       PRO  10 -17.882   0.772  -8.726
   89   1HD   PRO  10          HD2       PRO  10 -15.720  -0.735  -9.201
   90   2HD   PRO  10          HD1       PRO  10 -15.690   0.563  -7.989
   91    H    GLU  11           HN       GLU  11 -17.153  -3.417  -7.573
   92    HA   GLU  11           HA       GLU  11 -19.038  -4.858  -6.016
   93   1HB   GLU  11          HB2       GLU  11 -17.708  -5.195  -8.494
   94   2HB   GLU  11          HB1       GLU  11 -17.358  -6.625  -7.532
   95   1HG   GLU  11          HG2       GLU  11 -19.672  -7.109  -7.265
   96   2HG   GLU  11          HG1       GLU  11 -20.135  -5.560  -7.971
   97    H    LYS  12           HN       LYS  12 -15.500  -5.067  -6.312
   98    HA   LYS  12           HA       LYS  12 -15.259  -7.104  -4.321
   99   1HB   LYS  12          HB2       LYS  12 -13.499  -5.647  -6.121
  100   2HB   LYS  12          HB1       LYS  12 -12.781  -5.843  -4.528
  101   1HG   LYS  12          HG2       LYS  12 -12.208  -7.910  -5.055
  102   2HG   LYS  12          HG1       LYS  12 -13.912  -8.330  -5.245
  103   1HD   LYS  12          HD1       LYS  12 -12.875  -8.883  -7.295
  104   2HD   LYS  12          HD2       LYS  12 -13.746  -7.377  -7.586
  105   1HE   LYS  12          HE1       LYS  12 -11.871  -6.297  -8.108
  106   2HE   LYS  12          HE2       LYS  12 -11.059  -6.877  -6.654
  107   1HZ   LYS  12          HZ1       LYS  12 -10.073  -8.547  -7.763
  108   2HZ   LYS  12          HZ2       LYS  12 -10.330  -7.562  -9.114
  109   3HZ   LYS  12          HZ3       LYS  12 -11.398  -8.828  -8.776
  110    H    LEU  13           HN       LEU  13 -14.962  -3.599  -4.375
  111    HA   LEU  13           HA       LEU  13 -13.881  -3.255  -1.805
  112   1HB   LEU  13          HB1       LEU  13 -15.666  -1.406  -3.391
  113   2HB   LEU  13          HB2       LEU  13 -14.742  -0.945  -1.975
  114    HG   LEU  13           HG       LEU  13 -13.310  -2.106  -4.328
  115   1HD1  LEU  13          HD11      LEU  13 -14.891   0.289  -4.406
  116   2HD1  LEU  13          HD12      LEU  13 -13.943  -0.470  -5.685
  117   3HD1  LEU  13          HD13      LEU  13 -13.180   0.676  -4.582
  118   1HD2  LEU  13          HD21      LEU  13 -11.913  -1.790  -2.484
  119   2HD2  LEU  13          HD22      LEU  13 -12.663  -0.249  -2.063
  120   3HD2  LEU  13          HD23      LEU  13 -11.630  -0.368  -3.489
  121    H    LYS  14           HN       LYS  14 -17.145  -3.816  -2.905
  122    HA   LYS  14           HA       LYS  14 -18.623  -2.896  -0.761
  123   1HB   LYS  14          HB1       LYS  14 -19.080  -4.523  -3.018
  124   2HB   LYS  14          HB2       LYS  14 -19.674  -5.429  -1.634
  125   1HG   LYS  14          HG1       LYS  14 -20.466  -2.617  -1.632
  126   2HG   LYS  14          HG2       LYS  14 -21.079  -3.541  -3.006
  127   1HD   LYS  14          HD2       LYS  14 -21.466  -5.220  -0.835
  128   2HD   LYS  14          HD1       LYS  14 -21.872  -3.618  -0.217
  129   1HE   LYS  14          HE2       LYS  14 -23.733  -3.477  -1.461
  130   2HE   LYS  14          HE1       LYS  14 -22.951  -4.178  -2.877
  131   1HZ   LYS  14          HZ1       LYS  14 -23.402  -6.328  -2.156
  132   2HZ   LYS  14          HZ2       LYS  14 -24.822  -5.487  -1.784
  133   3HZ   LYS  14          HZ3       LYS  14 -23.710  -5.849  -0.563
  134    H    GLU  15           HN       GLU  15 -17.107  -6.098  -1.142
  135    HA   GLU  15           HA       GLU  15 -17.887  -6.903   1.526
  136   1HB   GLU  15          HB2       GLU  15 -15.933  -8.270  -0.330
  137   2HB   GLU  15          HB1       GLU  15 -16.777  -8.980   1.040
  138   1HG   GLU  15          HG1       GLU  15 -18.540  -7.835  -0.993
  139   2HG   GLU  15          HG2       GLU  15 -17.550  -9.181  -1.558
  140    H    LEU  16           HN       LEU  16 -15.171  -5.472  -0.055
  141    HA   LEU  16           HA       LEU  16 -13.422  -5.867   2.240
  142   1HB   LEU  16          HB2       LEU  16 -13.082  -5.081  -0.595
  143   2HB   LEU  16          HB1       LEU  16 -11.940  -4.405   0.551
  144    HG   LEU  16           HG       LEU  16 -11.412  -6.733   1.299
  145   1HD1  LEU  16          HD11      LEU  16 -12.212  -8.180  -0.965
  146   2HD1  LEU  16          HD12      LEU  16 -13.646  -7.321  -0.403
  147   3HD1  LEU  16          HD13      LEU  16 -12.767  -8.384   0.696
  148   1HD2  LEU  16          HD21      LEU  16 -10.065  -7.267  -0.679
  149   2HD2  LEU  16          HD22      LEU  16  -9.981  -5.557  -0.256
  150   3HD2  LEU  16          HD23      LEU  16 -10.986  -6.084  -1.609
  151    H    SER  17           HN       SER  17 -15.838  -3.944   1.991
  152    HA   SER  17           HA       SER  17 -15.526  -1.353   1.819
  153   1HB   SER  17          HB1       SER  17 -16.730  -2.894   4.099
  154   2HB   SER  17          HB2       SER  17 -16.773  -1.134   4.085
  155    HG   SER  17           HG       SER  17 -18.537  -1.517   2.972
  156    H    VAL  18           HN       VAL  18 -13.370  -0.673   1.943
  157    HA   VAL  18           HA       VAL  18 -11.674  -0.949   4.121
  158    HB   VAL  18           HB       VAL  18 -10.373   0.869   3.226
  159   1HG1  VAL  18          HG21      VAL  18 -10.749   0.112   0.630
  160   2HG1  VAL  18          HG22      VAL  18 -11.456  -1.238   1.518
  161   3HG1  VAL  18          HG23      VAL  18  -9.784  -0.765   1.817
  162   1HG2  VAL  18          HG11      VAL  18 -11.247   2.188   1.283
  163   2HG2  VAL  18          HG12      VAL  18 -12.034   2.534   2.822
  164   3HG2  VAL  18          HG13      VAL  18 -12.842   1.519   1.628
  165    H    GLU  19           HN       GLU  19 -14.446   1.020   3.774
  166    HA   GLU  19           HA       GLU  19 -13.992   3.199   5.378
  167   1HB   GLU  19          HB2       GLU  19 -16.449   2.979   5.980
  168   2HB   GLU  19          HB1       GLU  19 -16.080   3.006   4.260
  169   1HG   GLU  19          HG1       GLU  19 -17.113   1.074   3.987
  170   2HG   GLU  19          HG2       GLU  19 -16.017   0.306   5.139
  171    H    LYS  20           HN       LYS  20 -14.248  -0.133   6.290
  172    HA   LYS  20           HA       LYS  20 -14.584   0.499   9.112
  173   1HB   LYS  20          HB2       LYS  20 -13.969  -2.273   8.697
  174   2HB   LYS  20          HB1       LYS  20 -15.447  -1.550   9.303
  175   1HG   LYS  20          HG2       LYS  20 -15.827  -1.132   6.692
  176   2HG   LYS  20          HG1       LYS  20 -14.794  -2.562   6.613
  177   1HD   LYS  20          HD1       LYS  20 -16.857  -3.542   6.731
  178   2HD   LYS  20          HD2       LYS  20 -16.445  -3.458   8.447
  179   1HE   LYS  20          HE1       LYS  20 -17.655  -1.221   8.464
  180   2HE   LYS  20          HE2       LYS  20 -18.281  -1.668   6.878
  181   1HZ   LYS  20          HZ1       LYS  20 -19.914  -2.614   8.045
  182   2HZ   LYS  20          HZ2       LYS  20 -19.032  -2.634   9.487
  183   3HZ   LYS  20          HZ3       LYS  20 -18.811  -3.861   8.344
  184    H    TRP  21           HN       TRP  21 -12.054  -0.032   6.876
  185    HA   TRP  21           HA       TRP  21 -10.122  -0.974   8.791
  186   1HB   TRP  21          HB2       TRP  21  -9.478   0.277   6.124
  187   2HB   TRP  21          HB1       TRP  21  -8.553  -0.924   7.015
  188    HD1  TRP  21           HD1      TRP  21 -11.940  -2.249   7.084
  189    HE1  TRP  21           HE1      TRP  21 -12.351  -3.901   5.160
  190    HE3  TRP  21           HE3      TRP  21  -7.887  -1.138   4.159
  191    HZ2  TRP  21           HZ2      TRP  21 -11.122  -4.654   2.739
  192    HZ3  TRP  21           HZ3      TRP  21  -7.581  -2.375   2.056
  193    HH2  TRP  21           HH2      TRP  21  -9.167  -4.097   1.362
  194    HA   PRO  22           HA       PRO  22  -8.953   2.910  10.593
  195   1HB   PRO  22          HB2       PRO  22  -6.199   2.457  10.675
  196   2HB   PRO  22          HB1       PRO  22  -7.351   2.032  11.938
  197   1HG   PRO  22          HG2       PRO  22  -6.127   0.332   9.841
  198   2HG   PRO  22          HG1       PRO  22  -6.604  -0.090  11.489
  199   1HD   PRO  22          HD1       PRO  22  -8.052  -0.844   9.338
  200   2HD   PRO  22          HD2       PRO  22  -8.810  -0.450  10.895
  201    H    ILE  23           HN       ILE  23  -7.926   4.874  10.009
  202    HA   ILE  23           HA       ILE  23  -7.174   4.955   7.175
  203    HB   ILE  23           HB       ILE  23  -7.982   7.287   8.916
  204   1HG1  ILE  23          HG11      ILE  23  -9.824   5.668   8.733
  205   2HG1  ILE  23          HG12      ILE  23 -10.179   7.138   7.830
  206   1HG2  ILE  23          HG21      ILE  23  -7.517   6.947   5.968
  207   2HG2  ILE  23          HG22      ILE  23  -6.761   8.090   7.078
  208   3HG2  ILE  23          HG23      ILE  23  -8.454   8.288   6.627
  209   1HD1  ILE  23          HD11      ILE  23  -9.609   6.029   5.755
  210   2HD1  ILE  23          HD12      ILE  23 -10.850   5.126   6.623
  211   3HD1  ILE  23          HD13      ILE  23  -9.178   4.564   6.638
  212    H    TRP  24           HN       TRP  24  -5.376   6.115   6.467
  213    HA   TRP  24           HA       TRP  24  -3.395   6.742   8.556
  214   1HB   TRP  24          HB2       TRP  24  -3.133   4.644   6.939
  215   2HB   TRP  24          HB1       TRP  24  -2.514   5.872   5.839
  216    HD1  TRP  24           HD1      TRP  24  -1.829   5.842   9.633
  217    HE1  TRP  24           HE1      TRP  24   0.708   5.588   9.987
  218    HE3  TRP  24           HE3      TRP  24  -0.400   5.115   4.778
  219    HZ2  TRP  24           HZ2      TRP  24   3.011   5.139   8.415
  220    HZ3  TRP  24           HZ3      TRP  24   1.989   4.781   4.288
  221    HH2  TRP  24           HH2      TRP  24   3.657   4.793   6.071
  222    H    GLU  25           HN       GLU  25  -2.187   8.574   8.326
  223    HA   GLU  25           HA       GLU  25  -2.834  10.309   6.030
  224   1HB   GLU  25          HB2       GLU  25  -2.350  10.956   8.929
  225   2HB   GLU  25          HB1       GLU  25  -2.102  12.170   7.681
  226   1HG   GLU  25          HG2       GLU  25  -4.278  12.557   7.491
  227   2HG   GLU  25          HG1       GLU  25  -4.657  10.838   7.402
  228    H    LYS  26           HN       LYS  26  -1.146  11.007   4.802
  229    HA   LYS  26           HA       LYS  26   1.553  10.829   5.908
  230   1HB   LYS  26          HB2       LYS  26   0.633   8.708   4.559
  231   2HB   LYS  26          HB1       LYS  26   1.201   9.671   3.202
  232   1HG   LYS  26          HG2       LYS  26   3.419   9.793   4.218
  233   2HG   LYS  26          HG1       LYS  26   2.847   8.809   5.568
  234   1HD   LYS  26          HD1       LYS  26   2.529   6.925   4.191
  235   2HD   LYS  26          HD2       LYS  26   2.679   7.881   2.714
  236   1HE   LYS  26          HE1       LYS  26   5.033   8.333   3.278
  237   2HE   LYS  26          HE2       LYS  26   4.865   7.307   4.705
  238   1HZ   LYS  26          HZ1       LYS  26   5.446   6.545   2.064
  239   2HZ   LYS  26          HZ2       LYS  26   3.974   5.842   2.511
  240   3HZ   LYS  26          HZ3       LYS  26   5.358   5.573   3.446
  241    H    GLU  27           HN       GLU  27   2.865  12.346   5.259
  242    HA   GLU  27           HA       GLU  27   2.010  14.195   3.158
  243   1HB   GLU  27          HB2       GLU  27   3.927  15.602   4.066
  244   2HB   GLU  27          HB1       GLU  27   2.565  15.365   5.150
  245   1HG   GLU  27          HG2       GLU  27   4.545  13.299   5.504
  246   2HG   GLU  27          HG1       GLU  27   5.250  14.904   5.691
  247    H    VAL  28           HN       VAL  28   3.725  14.996   1.660
  248    HA   VAL  28           HA       VAL  28   4.873  12.930   0.170
  249    HB   VAL  28           HB       VAL  28   5.702  15.826   0.187
  250   1HG1  VAL  28          HG11      VAL  28   6.868  13.724  -1.140
  251   2HG1  VAL  28          HG12      VAL  28   6.973  15.422  -1.602
  252   3HG1  VAL  28          HG13      VAL  28   5.756  14.382  -2.341
  253   1HG2  VAL  28          HG21      VAL  28   4.071  15.672  -1.908
  254   2HG2  VAL  28          HG22      VAL  28   3.497  16.071  -0.288
  255   3HG2  VAL  28          HG23      VAL  28   3.331  14.425  -0.902
  256    H    SER  29           HN       SER  29   5.913  12.035   2.377
  257    HA   SER  29           HA       SER  29   8.624  13.102   2.737
  258   1HB   SER  29          HB1       SER  29   6.711  12.277   4.595
  259   2HB   SER  29          HB2       SER  29   7.893  10.972   4.567
  260    HG   SER  29           HG       SER  29   9.477  12.379   5.146
  261    H    GLU  30           HN       GLU  30   9.639  10.652   3.876
  262    HA   GLU  30           HA       GLU  30   9.506   8.674   1.750
  263   1HB   GLU  30          HB1       GLU  30  11.709  10.468   2.034
  264   2HB   GLU  30          HB2       GLU  30  12.242   8.870   2.538
  265   1HG   GLU  30          HG1       GLU  30  12.311   8.136   0.447
  266   2HG   GLU  30          HG2       GLU  30  10.698   8.757   0.097
  267    H    PHE  31           HN       PHE  31   9.273   6.737   2.676
  268    HA   PHE  31           HA       PHE  31  10.197   6.409   5.458
  269   1HB   PHE  31          HB1       PHE  31   7.657   5.409   4.174
  270   2HB   PHE  31          HB2       PHE  31   8.187   4.968   5.793
  271    HD1  PHE  31           HD1      PHE  31   7.383   6.183   7.575
  272    HD2  PHE  31           HD2      PHE  31   7.455   7.962   3.712
  273    HE1  PHE  31           HE1      PHE  31   6.195   8.147   8.463
  274    HE2  PHE  31           HE2      PHE  31   6.266   9.928   4.590
  275    HZ   PHE  31           HZ       PHE  31   5.637  10.024   6.965
  276    H    ASP  32           HN       ASP  32  10.871   4.339   6.115
  277    HA   ASP  32           HA       ASP  32  11.870   2.669   3.949
  278   1HB   ASP  32          HB2       ASP  32  13.083   1.464   5.703
  279   2HB   ASP  32          HB1       ASP  32  13.358   3.197   5.844
  280    H    TRP  33           HN       TRP  33  11.295   0.496   3.648
  281    HA   TRP  33           HA       TRP  33   8.792  -0.287   4.983
  282   1HB   TRP  33          HB1       TRP  33   8.610   0.151   2.542
  283   2HB   TRP  33          HB2       TRP  33   9.788  -1.097   2.247
  284    HD1  TRP  33           HD1      TRP  33   8.147  -2.468   0.744
  285    HE1  TRP  33           HE1      TRP  33   6.130  -3.955   1.248
  286    HE3  TRP  33           HE3      TRP  33   7.268  -1.113   5.596
  287    HZ2  TRP  33           HZ2      TRP  33   4.415  -4.507   3.362
  288    HZ3  TRP  33           HZ3      TRP  33   5.409  -2.182   6.786
  289    HH2  TRP  33           HH2      TRP  33   4.017  -3.853   5.677
  290    H    TYR  34           HN       TYR  34   8.844  -2.007   6.225
  291    HA   TYR  34           HA       TYR  34  10.762  -4.143   5.673
  292   1HB   TYR  34          HB1       TYR  34  11.723  -2.784   7.490
  293   2HB   TYR  34          HB2       TYR  34  10.244  -2.990   8.417
  294    HD1  TYR  34           HD1      TYR  34  12.121  -5.512   6.431
  295    HD2  TYR  34           HD2      TYR  34  10.902  -4.217  10.296
  296    HE1  TYR  34           HE1      TYR  34  13.022  -7.583   7.401
  297    HE2  TYR  34           HE2      TYR  34  11.801  -6.284  11.278
  298    HH   TYR  34           HH       TYR  34  13.930  -8.203   9.899
  299    H    TYR  35           HN       TYR  35   9.582  -5.854   5.262
  300    HA   TYR  35           HA       TYR  35   6.893  -6.076   6.324
  301   1HB   TYR  35          HB2       TYR  35   7.785  -6.524   3.899
  302   2HB   TYR  35          HB1       TYR  35   8.168  -8.110   4.549
  303    HD1  TYR  35           HD1      TYR  35   5.302  -5.835   5.019
  304    HD2  TYR  35           HD2      TYR  35   6.616  -9.648   3.770
  305    HE1  TYR  35           HE1      TYR  35   2.962  -6.516   4.703
  306    HE2  TYR  35           HE2      TYR  35   4.283 -10.357   3.447
  307    HH   TYR  35           HH       TYR  35   1.826  -9.135   4.739
  308    H    ASP  36           HN       ASP  36   6.296  -7.388   7.938
  309    HA   ASP  36           HA       ASP  36   8.125  -9.552   8.730
  310   1HB   ASP  36          HB1       ASP  36   8.283  -7.542  10.225
  311   2HB   ASP  36          HB2       ASP  36   6.599  -7.805  10.665
  312    H    THR  37           HN       THR  37   4.964  -8.729   7.849
  313    HA   THR  37           HA       THR  37   4.044 -11.389   8.321
  314    HB   THR  37           HB       THR  37   2.693  -9.182   9.887
  315    HG1  THR  37           HG1      THR  37   3.823  -9.790  11.557
  316   1HG2  THR  37          HG21      THR  37   1.902 -11.889   9.223
  317   2HG2  THR  37          HG22      THR  37   0.962 -10.559   9.901
  318   3HG2  THR  37          HG23      THR  37   1.933 -11.583  10.960
  319    H    ASN  38           HN       ASN  38   2.341 -11.919   7.059
  320    HA   ASN  38           HA       ASN  38   1.674 -10.655   4.782
  321   1HB   ASN  38          HB1       ASN  38   0.868 -12.945   5.847
  322   2HB   ASN  38          HB2       ASN  38  -0.579 -12.004   6.201
  323   1HD2  ASN  38          HD21      ASN  38   1.676 -12.460   3.497
  324   2HD2  ASN  38          HD22      ASN  38   0.455 -12.605   2.284
  325    H    GLU  39           HN       GLU  39   1.108  -8.620   4.486
  326    HA   GLU  39           HA       GLU  39  -1.177  -7.560   6.005
  327   1HB   GLU  39          HB1       GLU  39   0.325  -6.266   7.091
  328   2HB   GLU  39          HB2       GLU  39   1.577  -6.549   5.901
  329   1HG   GLU  39          HG2       GLU  39   0.788  -4.781   4.522
  330   2HG   GLU  39          HG1       GLU  39  -0.680  -4.607   5.478
  331    H    THR  40           HN       THR  40  -2.426  -5.973   4.932
  332    HA   THR  40           HA       THR  40  -1.877  -5.542   2.093
  333    HB   THR  40           HB       THR  40  -4.576  -6.461   3.096
  334    HG1  THR  40           HG1      THR  40  -3.968  -8.424   2.709
  335   1HG2  THR  40          HG21      THR  40  -5.045  -5.307   1.164
  336   2HG2  THR  40          HG22      THR  40  -4.806  -6.951   0.572
  337   3HG2  THR  40          HG23      THR  40  -3.520  -5.755   0.401
  338    H    CYS  41           HN       CYS  41  -2.223  -3.487   1.517
  339    HA   CYS  41           HA       CYS  41  -4.011  -1.853   3.192
  340   1HB   CYS  41          HB2       CYS  41  -2.259   0.024   2.449
  341   2HB   CYS  41          HB1       CYS  41  -2.083  -0.909   3.932
  342    HG   CYS  41           HG       CYS  41  -0.190  -2.245   2.866
  343    H    TYR  42           HN       TYR  42  -5.002  -0.057   2.134
  344    HA   TYR  42           HA       TYR  42  -5.023  -0.255  -0.806
  345   1HB   TYR  42          HB1       TYR  42  -7.067  -1.223  -0.165
  346   2HB   TYR  42          HB2       TYR  42  -7.300  -0.084   1.155
  347    HD1  TYR  42           HD1      TYR  42  -8.478   1.949   0.823
  348    HD2  TYR  42           HD2      TYR  42  -7.420  -0.460  -2.520
  349    HE1  TYR  42           HE1      TYR  42  -9.931   3.316  -0.616
  350    HE2  TYR  42           HE2      TYR  42  -8.867   0.897  -3.967
  351    HH   TYR  42           HH       TYR  42  -9.786   3.659  -3.584
  352    H    ILE  43           HN       ILE  43  -4.758   1.614  -1.897
  353    HA   ILE  43           HA       ILE  43  -4.189   4.022  -0.441
  354    HB   ILE  43           HB       ILE  43  -4.381   3.545  -3.413
  355   1HG1  ILE  43          HG11      ILE  43  -2.574   2.362  -2.001
  356   2HG1  ILE  43          HG12      ILE  43  -2.053   3.251  -3.428
  357   1HG2  ILE  43          HG21      ILE  43  -3.605   5.973  -1.844
  358   2HG2  ILE  43          HG22      ILE  43  -4.704   5.838  -3.218
  359   3HG2  ILE  43          HG23      ILE  43  -2.963   5.688  -3.462
  360   1HD1  ILE  43          HD11      ILE  43  -0.696   3.512  -1.284
  361   2HD1  ILE  43          HD12      ILE  43  -2.030   4.518  -0.718
  362   3HD1  ILE  43          HD13      ILE  43  -1.134   4.975  -2.168
  363    H    LEU  44           HN       LEU  44  -5.277   6.002  -0.584
  364    HA   LEU  44           HA       LEU  44  -8.088   5.815  -1.451
  365   1HB   LEU  44          HB2       LEU  44  -7.794   5.937   1.011
  366   2HB   LEU  44          HB1       LEU  44  -6.970   7.472   0.813
  367    HG   LEU  44           HG       LEU  44  -9.081   8.368  -0.230
  368   1HD1  LEU  44          HD21      LEU  44 -10.509   6.769  -0.891
  369   2HD1  LEU  44          HD22      LEU  44 -11.058   6.814   0.785
  370   3HD1  LEU  44          HD23      LEU  44  -9.892   5.594   0.270
  371   1HD2  LEU  44          HD11      LEU  44  -9.361   9.227   1.793
  372   2HD2  LEU  44          HD12      LEU  44  -8.425   7.906   2.493
  373   3HD2  LEU  44          HD13      LEU  44 -10.172   7.750   2.311
  374    H    GLU  45           HN       GLU  45  -5.221   7.830  -1.187
  375    HA   GLU  45           HA       GLU  45  -5.689   9.179  -3.601
  376   1HB   GLU  45          HB2       GLU  45  -6.310  11.375  -2.885
  377   2HB   GLU  45          HB1       GLU  45  -7.470  10.253  -2.186
  378   1HG   GLU  45          HG2       GLU  45  -5.977  10.311  -0.105
  379   2HG   GLU  45          HG1       GLU  45  -5.255  11.744  -0.835
  380    H    GLY  46           HN       GLY  46  -3.629   9.322  -4.232
  381   1HA   GLY  46          HA2       GLY  46  -1.718  11.004  -3.485
  382   2HA   GLY  46          HA1       GLY  46  -1.543   9.770  -2.247
  383    H    LYS  47           HN       LYS  47   0.520  10.391  -3.973
  384    HA   LYS  47           HA       LYS  47   0.589   8.071  -5.777
  385   1HB   LYS  47          HB1       LYS  47   1.255  10.805  -6.215
  386   2HB   LYS  47          HB2       LYS  47   2.737   9.864  -6.318
  387   1HG   LYS  47          HG1       LYS  47   1.160   8.315  -7.806
  388   2HG   LYS  47          HG2       LYS  47   0.360   9.868  -8.070
  389   1HD   LYS  47          HD1       LYS  47   1.935   9.799  -9.778
  390   2HD   LYS  47          HD2       LYS  47   2.755  10.742  -8.530
  391   1HE   LYS  47          HE1       LYS  47   4.414   9.263  -9.090
  392   2HE   LYS  47          HE2       LYS  47   3.632   8.385  -7.775
  393   1HZ   LYS  47          HZ1       LYS  47   3.855   6.812  -9.445
  394   2HZ   LYS  47          HZ2       LYS  47   3.450   7.895 -10.680
  395   3HZ   LYS  47          HZ3       LYS  47   2.253   7.325  -9.629
  396    H    VAL  48           HN       VAL  48   2.082   6.543  -5.475
  397    HA   VAL  48           HA       VAL  48   4.321   7.093  -3.665
  398    HB   VAL  48           HB       VAL  48   2.131   5.120  -3.262
  399   1HG1  VAL  48          HG21      VAL  48   5.007   4.463  -2.855
  400   2HG1  VAL  48          HG22      VAL  48   3.657   3.410  -3.282
  401   3HG1  VAL  48          HG23      VAL  48   3.853   3.962  -1.618
  402   1HG2  VAL  48          HG11      VAL  48   3.113   5.683  -0.834
  403   2HG2  VAL  48          HG12      VAL  48   1.942   6.704  -1.670
  404   3HG2  VAL  48          HG13      VAL  48   3.658   7.109  -1.716
  405    H    GLU  49           HN       GLU  49   6.189   6.406  -4.438
  406    HA   GLU  49           HA       GLU  49   6.179   4.390  -6.583
  407   1HB   GLU  49          HB2       GLU  49   8.249   6.504  -5.950
  408   2HB   GLU  49          HB1       GLU  49   8.366   5.324  -7.249
  409   1HG   GLU  49          HG1       GLU  49   6.266   6.285  -8.202
  410   2HG   GLU  49          HG2       GLU  49   6.372   7.558  -6.987
  411    H    VAL  50           HN       VAL  50   6.683   2.449  -5.847
  412    HA   VAL  50           HA       VAL  50   8.374   2.193  -3.477
  413    HB   VAL  50           HB       VAL  50   6.522   0.236  -4.840
  414   1HG1  VAL  50          HG11      VAL  50   7.201  -0.691  -2.273
  415   2HG1  VAL  50          HG12      VAL  50   8.716  -0.299  -3.089
  416   3HG1  VAL  50          HG13      VAL  50   7.582  -1.428  -3.830
  417   1HG2  VAL  50          HG21      VAL  50   6.303   1.411  -2.081
  418   2HG2  VAL  50          HG22      VAL  50   5.072   0.545  -3.003
  419   3HG2  VAL  50          HG23      VAL  50   5.570   2.162  -3.500
  420    H    THR  51           HN       THR  51  10.302   1.240  -3.464
  421    HA   THR  51           HA       THR  51  11.167  -0.270  -5.827
  422    HB   THR  51           HB       THR  51  12.955   1.622  -4.288
  423    HG1  THR  51           HG1      THR  51  12.832   2.883  -6.218
  424   1HG2  THR  51          HG21      THR  51  13.722   0.875  -6.986
  425   2HG2  THR  51          HG22      THR  51  13.684  -0.487  -5.867
  426   3HG2  THR  51          HG23      THR  51  14.675   0.925  -5.503
  427    H    THR  52           HN       THR  52  11.450  -2.311  -5.151
  428    HA   THR  52           HA       THR  52  12.174  -2.816  -2.376
  429    HB   THR  52           HB       THR  52  11.305  -4.927  -2.609
  430    HG1  THR  52           HG1      THR  52  11.678  -4.982  -5.403
  431   1HG2  THR  52          HG21      THR  52   9.280  -4.863  -3.660
  432   2HG2  THR  52          HG22      THR  52   9.899  -3.962  -5.044
  433   3HG2  THR  52          HG23      THR  52   9.642  -3.143  -3.503
  434    H    GLU  53           HN       GLU  53  13.915  -4.139  -1.735
  435    HA   GLU  53           HA       GLU  53  16.356  -3.530  -2.888
  436   1HB   GLU  53          HB2       GLU  53  17.341  -5.052  -1.349
  437   2HB   GLU  53          HB1       GLU  53  15.937  -4.363  -0.546
  438   1HG   GLU  53          HG2       GLU  53  15.956  -7.040  -1.918
  439   2HG   GLU  53          HG1       GLU  53  16.230  -6.800  -0.194
  440    H    ASP  54           HN       ASP  54  14.350  -6.410  -3.331
  441    HA   ASP  54           HA       ASP  54  16.048  -8.066  -4.697
  442   1HB   ASP  54          HB1       ASP  54  13.615  -8.475  -4.062
  443   2HB   ASP  54          HB2       ASP  54  13.185  -7.639  -5.551
  444    H    GLY  55           HN       GLY  55  14.519  -5.145  -5.850
  445   1HA   GLY  55          HA1       GLY  55  15.789  -3.958  -7.611
  446   2HA   GLY  55          HA2       GLY  55  15.915  -5.509  -8.429
  447    H    LYS  56           HN       LYS  56  12.914  -4.975  -6.905
  448    HA   LYS  56           HA       LYS  56  11.665  -4.565  -9.516
  449   1HB   LYS  56          HB1       LYS  56  10.333  -5.287  -6.901
  450   2HB   LYS  56          HB2       LYS  56   9.646  -5.400  -8.514
  451   1HG   LYS  56          HG2       LYS  56  11.739  -7.004  -8.864
  452   2HG   LYS  56          HG1       LYS  56  11.524  -7.207  -7.124
  453   1HD   LYS  56          HD1       LYS  56   9.770  -8.536  -7.444
  454   2HD   LYS  56          HD2       LYS  56   8.979  -7.318  -8.447
  455   1HE   LYS  56          HE2       LYS  56  11.177  -9.010  -9.567
  456   2HE   LYS  56          HE1       LYS  56   9.534  -9.640  -9.462
  457   1HZ   LYS  56          HZ1       LYS  56  10.056  -7.026 -10.723
  458   2HZ   LYS  56          HZ2       LYS  56   8.749  -8.074 -10.951
  459   3HZ   LYS  56          HZ3       LYS  56  10.263  -8.457 -11.600
  460    H    LYS  57           HN       LYS  57   9.436  -3.345  -9.216
  461    HA   LYS  57           HA       LYS  57   9.546  -1.132  -7.383
  462   1HB   LYS  57          HB2       LYS  57  10.768  -0.811  -9.885
  463   2HB   LYS  57          HB1       LYS  57   9.214   0.000 -10.023
  464   1HG   LYS  57          HG2       LYS  57   9.718   1.530  -8.354
  465   2HG   LYS  57          HG1       LYS  57  10.996   0.518  -7.679
  466   1HD   LYS  57          HD1       LYS  57  11.074   1.980 -10.316
  467   2HD   LYS  57          HD2       LYS  57  11.958   2.413  -8.851
  468   1HE   LYS  57          HE2       LYS  57  12.688  -0.195  -9.211
  469   2HE   LYS  57          HE1       LYS  57  12.541   0.377 -10.871
  470   1HZ   LYS  57          HZ1       LYS  57  14.141   1.744  -8.778
  471   2HZ   LYS  57          HZ2       LYS  57  14.094   2.118 -10.427
  472   3HZ   LYS  57          HZ3       LYS  57  14.783   0.663  -9.909
  473    H    TYR  58           HN       TYR  58   7.547  -0.308  -6.976
  474    HA   TYR  58           HA       TYR  58   5.363  -1.038  -8.796
  475   1HB   TYR  58          HB2       TYR  58   4.759  -1.198  -5.893
  476   2HB   TYR  58          HB1       TYR  58   4.117  -2.144  -7.230
  477    HD1  TYR  58           HD1      TYR  58   6.071  -3.649  -8.398
  478    HD2  TYR  58           HD2      TYR  58   5.961  -2.382  -4.337
  479    HE1  TYR  58           HE1      TYR  58   7.536  -5.527  -7.777
  480    HE2  TYR  58           HE2      TYR  58   7.423  -4.254  -3.706
  481    HH   TYR  58           HH       TYR  58   8.980  -6.255  -6.079
  482    H    VAL  59           HN       VAL  59   4.342   0.745  -9.373
  483    HA   VAL  59           HA       VAL  59   4.296   3.031  -7.528
  484    HB   VAL  59           HB       VAL  59   3.672   4.403  -9.442
  485   1HG1  VAL  59          HG11      VAL  59   5.785   4.597 -10.240
  486   2HG1  VAL  59          HG12      VAL  59   5.938   2.871 -10.569
  487   3HG1  VAL  59          HG13      VAL  59   6.122   3.474  -8.923
  488   1HG2  VAL  59          HG21      VAL  59   3.904   3.216 -11.742
  489   2HG2  VAL  59          HG22      VAL  59   2.385   3.103 -10.854
  490   3HG2  VAL  59          HG23      VAL  59   3.526   1.758 -10.827
  491    H    ILE  60           HN       ILE  60   2.524   3.193  -6.322
  492    HA   ILE  60           HA       ILE  60  -0.039   2.314  -7.481
  493    HB   ILE  60           HB       ILE  60  -0.736   1.955  -5.057
  494   1HG1  ILE  60          HG11      ILE  60   2.111   1.459  -4.393
  495   2HG1  ILE  60          HG12      ILE  60   1.610   3.146  -4.438
  496   1HG2  ILE  60          HG21      ILE  60  -0.394  -0.231  -5.399
  497   2HG2  ILE  60          HG22      ILE  60   1.354  -0.036  -5.531
  498   3HG2  ILE  60          HG23      ILE  60   0.324   0.280  -6.926
  499   1HD1  ILE  60          HD11      ILE  60   1.224   2.648  -2.250
  500   2HD1  ILE  60          HD12      ILE  60   0.793   0.973  -2.590
  501   3HD1  ILE  60          HD13      ILE  60  -0.354   2.266  -2.939
  502    H    GLU  61           HN       GLU  61  -1.512   3.860  -7.722
  503    HA   GLU  61           HA       GLU  61  -1.542   6.095  -5.841
  504   1HB   GLU  61          HB2       GLU  61  -0.245   6.869  -7.769
  505   2HB   GLU  61          HB1       GLU  61  -1.558   6.416  -8.847
  506   1HG   GLU  61          HG1       GLU  61  -2.990   8.034  -7.490
  507   2HG   GLU  61          HG2       GLU  61  -1.466   8.635  -6.840
  508    H    LYS  62           HN       LYS  62  -3.461   6.781  -5.270
  509    HA   LYS  62           HA       LYS  62  -5.695   6.778  -4.934
  510   1HB   LYS  62          HB2       LYS  62  -5.156   7.883  -7.346
  511   2HB   LYS  62          HB1       LYS  62  -6.300   6.634  -7.818
  512   1HG   LYS  62          HG2       LYS  62  -6.716   8.996  -6.034
  513   2HG   LYS  62          HG1       LYS  62  -7.647   8.479  -7.440
  514   1HD   LYS  62          HD1       LYS  62  -8.403   6.494  -6.131
  515   2HD   LYS  62          HD2       LYS  62  -7.586   7.174  -4.722
  516   1HE   LYS  62          HE2       LYS  62  -9.028   9.014  -4.625
  517   2HE   LYS  62          HE1       LYS  62  -9.639   8.729  -6.254
  518   1HZ   LYS  62          HZ1       LYS  62 -10.878   6.892  -5.535
  519   2HZ   LYS  62          HZ2       LYS  62 -11.135   8.069  -4.347
  520   3HZ   LYS  62          HZ3       LYS  62 -10.062   6.793  -4.057
  521    H    GLY  63           HN       GLY  63  -6.801   5.208  -4.142
  522   1HA   GLY  63          HA2       GLY  63  -7.768   3.131  -3.849
  523   2HA   GLY  63          HA1       GLY  63  -8.532   3.579  -5.362
  524    H    ASP  64           HN       ASP  64  -5.462   2.190  -4.223
  525    HA   ASP  64           HA       ASP  64  -5.888  -0.090  -5.958
  526   1HB   ASP  64          HB1       ASP  64  -3.601   0.055  -6.927
  527   2HB   ASP  64          HB2       ASP  64  -4.660   1.361  -7.452
  528    H    LEU  65           HN       LEU  65  -5.440  -1.866  -4.853
  529    HA   LEU  65           HA       LEU  65  -3.786  -1.609  -2.450
  530   1HB   LEU  65          HB1       LEU  65  -4.864  -4.043  -2.182
  531   2HB   LEU  65          HB2       LEU  65  -5.632  -2.579  -1.614
  532    HG   LEU  65           HG       LEU  65  -6.958  -2.508  -3.710
  533   1HD1  LEU  65          HD11      LEU  65  -5.311  -3.803  -5.065
  534   2HD1  LEU  65          HD12      LEU  65  -6.975  -4.360  -5.223
  535   3HD1  LEU  65          HD13      LEU  65  -5.836  -5.258  -4.219
  536   1HD2  LEU  65          HD21      LEU  65  -8.060  -4.906  -3.102
  537   2HD2  LEU  65          HD22      LEU  65  -8.315  -3.430  -2.169
  538   3HD2  LEU  65          HD23      LEU  65  -7.102  -4.602  -1.654
  539    H    VAL  66           HN       VAL  66  -2.159  -3.051  -1.949
  540    HA   VAL  66           HA       VAL  66  -1.206  -4.778  -4.132
  541    HB   VAL  66           HB       VAL  66   0.482  -2.966  -2.401
  542   1HG1  VAL  66          HG21      VAL  66   1.220  -5.044  -4.442
  543   2HG1  VAL  66          HG22      VAL  66   1.781  -4.887  -2.778
  544   3HG1  VAL  66          HG23      VAL  66   2.306  -3.727  -3.998
  545   1HG2  VAL  66          HG11      VAL  66  -0.396  -2.836  -5.262
  546   2HG2  VAL  66          HG12      VAL  66   1.059  -2.010  -4.703
  547   3HG2  VAL  66          HG13      VAL  66  -0.510  -1.599  -4.009
  548    H    THR  67           HN       THR  67   0.017  -6.603  -3.508
  549    HA   THR  67           HA       THR  67  -0.448  -7.449  -0.725
  550    HB   THR  67           HB       THR  67   0.186  -9.071  -3.203
  551    HG1  THR  67           HG1      THR  67  -2.163  -8.738  -1.661
  552   1HG2  THR  67          HG21      THR  67  -0.626 -10.942  -1.553
  553   2HG2  THR  67          HG22      THR  67   0.050  -9.847  -0.348
  554   3HG2  THR  67          HG23      THR  67   1.069 -10.465  -1.648
  555    H    PHE  68           HN       PHE  68   1.280  -8.457   0.440
  556    HA   PHE  68           HA       PHE  68   3.945  -7.935  -0.668
  557   1HB   PHE  68          HB2       PHE  68   2.939  -7.104   2.053
  558   2HB   PHE  68          HB1       PHE  68   4.633  -7.049   1.572
  559    HD1  PHE  68           HD1      PHE  68   2.282  -4.916   2.325
  560    HD2  PHE  68           HD2      PHE  68   4.441  -6.030  -1.169
  561    HE1  PHE  68           HE1      PHE  68   1.905  -2.675   1.382
  562    HE2  PHE  68           HE2      PHE  68   4.068  -3.789  -2.118
  563    HZ   PHE  68           HZ       PHE  68   2.798  -2.109  -0.841
  564    HA   PRO  69           HA       PRO  69   4.642 -11.995   1.049
  565   1HB   PRO  69          HB1       PRO  69   7.005 -12.449  -0.045
  566   2HB   PRO  69          HB2       PRO  69   5.589 -12.215  -1.073
  567   1HG   PRO  69          HG1       PRO  69   7.785 -10.304  -0.413
  568   2HG   PRO  69          HG2       PRO  69   6.959 -10.578  -1.951
  569   1HD   PRO  69          HD2       PRO  69   6.373  -8.546  -0.123
  570   2HD   PRO  69          HD1       PRO  69   5.334  -9.070  -1.454
  571    H    LYS  70           HN       LYS  70   5.135 -12.366   3.098
  572    HA   LYS  70           HA       LYS  70   6.438 -11.090   4.981
  573   1HB   LYS  70          HB1       LYS  70   5.458 -13.455   5.074
  574   2HB   LYS  70          HB2       LYS  70   7.082 -14.013   4.694
  575   1HG   LYS  70          HG1       LYS  70   7.940 -13.326   6.722
  576   2HG   LYS  70          HG2       LYS  70   6.654 -12.144   6.984
  577   1HD   LYS  70          HD2       LYS  70   5.151 -13.739   7.706
  578   2HD   LYS  70          HD1       LYS  70   5.973 -15.049   6.856
  579   1HE   LYS  70          HE2       LYS  70   7.106 -13.604   9.246
  580   2HE   LYS  70          HE1       LYS  70   6.216 -15.124   9.337
  581   1HZ   LYS  70          HZ1       LYS  70   7.962 -16.283   8.585
  582   2HZ   LYS  70          HZ2       LYS  70   8.873 -14.942   9.067
  583   3HZ   LYS  70          HZ3       LYS  70   8.408 -15.111   7.451
  584    H    GLY  71           HN       GLY  71   8.260  -9.969   5.012
  585   1HA   GLY  71          HA2       GLY  71  10.705 -10.250   5.347
  586   2HA   GLY  71          HA1       GLY  71  10.693 -11.200   3.869
  587    H    LEU  72           HN       LEU  72   8.779  -9.368   2.578
  588    HA   LEU  72           HA       LEU  72  10.290  -7.886   0.967
  589   1HB   LEU  72          HB2       LEU  72   8.066  -7.917   0.443
  590   2HB   LEU  72          HB1       LEU  72   7.554  -7.486   2.057
  591    HG   LEU  72           HG       LEU  72   7.786  -5.196   1.669
  592   1HD1  LEU  72          HD11      LEU  72   9.701  -4.507   0.731
  593   2HD1  LEU  72          HD12      LEU  72   8.924  -4.782  -0.828
  594   3HD1  LEU  72          HD13      LEU  72   9.934  -6.038  -0.113
  595   1HD2  LEU  72          HD21      LEU  72   6.658  -4.789  -0.487
  596   2HD2  LEU  72          HD22      LEU  72   5.933  -6.123   0.412
  597   3HD2  LEU  72          HD23      LEU  72   6.990  -6.455  -0.960
  598    H    ARG  73           HN       ARG  73  11.630  -6.262   1.005
  599    HA   ARG  73           HA       ARG  73  11.445  -4.209   3.105
  600   1HB   ARG  73          HB1       ARG  73  13.400  -6.044   3.236
  601   2HB   ARG  73          HB2       ARG  73  14.155  -4.929   2.105
  602   1HG   ARG  73          HG2       ARG  73  13.592  -3.112   3.823
  603   2HG   ARG  73          HG1       ARG  73  13.328  -4.450   4.942
  604   1HD   ARG  73          HD2       ARG  73  15.620  -5.265   4.394
  605   2HD   ARG  73          HD1       ARG  73  15.864  -3.796   3.451
  606    HE   ARG  73           HE       ARG  73  15.138  -2.829   5.853
  607   1HH1  ARG  73          HH21      ARG  73  17.506  -5.192   4.888
  608   2HH1  ARG  73          HH22      ARG  73  18.578  -4.846   6.204
  609   1HH2  ARG  73          HH11      ARG  73  16.541  -2.364   7.590
  610   2HH2  ARG  73          HH12      ARG  73  18.029  -3.238   7.740
  611    H    CYS  74           HN       CYS  74  11.260  -2.242   2.195
  612    HA   CYS  74           HA       CYS  74  12.604  -1.609  -0.297
  613   1HB   CYS  74          HB2       CYS  74  10.839  -1.604  -1.694
  614   2HB   CYS  74          HB1       CYS  74  10.076  -2.638  -0.499
  615    HG   CYS  74           HG       CYS  74   9.446   0.396  -0.800
  616    H    ARG  75           HN       ARG  75  12.226   0.705  -0.962
  617    HA   ARG  75           HA       ARG  75  11.990   2.372   1.453
  618   1HB   ARG  75          HB1       ARG  75  14.113   2.414  -0.058
  619   2HB   ARG  75          HB2       ARG  75  13.112   3.362  -1.149
  620   1HG   ARG  75          HG2       ARG  75  13.334   4.150   1.722
  621   2HG   ARG  75          HG1       ARG  75  14.627   4.554   0.590
  622   1HD   ARG  75          HD1       ARG  75  11.801   5.184  -0.122
  623   2HD   ARG  75          HD2       ARG  75  12.657   6.220   1.015
  624    HE   ARG  75           HE       ARG  75  13.058   6.066  -1.813
  625   1HH1  ARG  75          HH11      ARG  75  14.598   6.775   1.229
  626   2HH1  ARG  75          HH12      ARG  75  15.795   7.813   0.529
  627   1HH2  ARG  75          HH21      ARG  75  14.628   7.430  -2.746
  628   2HH2  ARG  75          HH22      ARG  75  15.812   8.185  -1.733
  629    H    TRP  76           HN       TRP  76  10.171   3.493   1.661
  630    HA   TRP  76           HA       TRP  76   8.281   3.696  -0.521
  631   1HB   TRP  76          HB2       TRP  76   8.197   4.535   2.379
  632   2HB   TRP  76          HB1       TRP  76   6.913   4.942   1.251
  633    HD1  TRP  76           HD1      TRP  76   8.015   2.282   3.561
  634    HE1  TRP  76           HE1      TRP  76   6.471   0.235   3.366
  635    HE3  TRP  76           HE3      TRP  76   5.527   3.556  -0.714
  636    HZ2  TRP  76           HZ2      TRP  76   4.462  -0.715   1.629
  637    HZ3  TRP  76           HZ3      TRP  76   3.807   2.021  -1.577
  638    HH2  TRP  76           HH2      TRP  76   3.287  -0.068  -0.429
  639    H    LYS  77           HN       LYS  77   7.441   5.625  -1.361
  640    HA   LYS  77           HA       LYS  77   8.567   8.153  -0.532
  641   1HB   LYS  77          HB1       LYS  77   8.793   8.052  -3.416
  642   2HB   LYS  77          HB2       LYS  77   9.980   8.553  -2.223
  643   1HG   LYS  77          HG2       LYS  77  10.945   6.457  -2.107
  644   2HG   LYS  77          HG1       LYS  77   9.507   5.648  -2.735
  645   1HD   LYS  77          HD2       LYS  77   9.907   6.693  -4.931
  646   2HD   LYS  77          HD1       LYS  77  11.377   7.431  -4.293
  647   1HE   LYS  77          HE2       LYS  77  11.542   5.220  -5.634
  648   2HE   LYS  77          HE1       LYS  77  12.494   5.415  -4.163
  649   1HZ   LYS  77          HZ1       LYS  77  11.131   3.990  -2.991
  650   2HZ   LYS  77          HZ2       LYS  77  11.161   3.259  -4.516
  651   3HZ   LYS  77          HZ3       LYS  77   9.823   4.179  -4.045
  652    H    VAL  78           HN       VAL  78   6.766   9.286  -0.270
  653    HA   VAL  78           HA       VAL  78   4.606   8.936  -2.207
  654    HB   VAL  78           HB       VAL  78   3.071   9.828  -0.640
  655   1HG1  VAL  78          HG21      VAL  78   2.987   7.852   0.360
  656   2HG1  VAL  78          HG22      VAL  78   4.299   8.329   1.439
  657   3HG1  VAL  78          HG23      VAL  78   4.663   7.553  -0.101
  658   1HG2  VAL  78          HG11      VAL  78   3.731  11.476   0.683
  659   2HG2  VAL  78          HG12      VAL  78   5.429  11.022   0.534
  660   3HG2  VAL  78          HG13      VAL  78   4.409  10.238   1.739
  661    H    LEU  79           HN       LEU  79   4.362  10.369  -3.750
  662    HA   LEU  79           HA       LEU  79   5.957  12.758  -3.764
  663   1HB   LEU  79          HB2       LEU  79   3.981  11.637  -5.749
  664   2HB   LEU  79          HB1       LEU  79   4.947  13.073  -6.030
  665    HG   LEU  79           HG       LEU  79   7.000  11.703  -5.839
  666   1HD1  LEU  79          HD21      LEU  79   5.018   9.476  -5.475
  667   2HD1  LEU  79          HD22      LEU  79   6.370   9.922  -4.432
  668   3HD1  LEU  79          HD23      LEU  79   6.675   9.205  -6.013
  669   1HD2  LEU  79          HD11      LEU  79   4.971  11.485  -7.911
  670   2HD2  LEU  79          HD12      LEU  79   6.096  10.128  -7.902
  671   3HD2  LEU  79          HD13      LEU  79   6.705  11.777  -8.048
  672    H    GLU  80           HN       GLU  80   2.713  11.986  -2.940
  673    HA   GLU  80           HA       GLU  80   2.174  14.817  -2.458
  674   1HB   GLU  80          HB2       GLU  80   0.579  13.007  -4.234
  675   2HB   GLU  80          HB1       GLU  80  -0.222  14.302  -3.355
  676   1HG   GLU  80          HG2       GLU  80   2.133  15.278  -4.692
  677   2HG   GLU  80          HG1       GLU  80   1.052  14.465  -5.825
  678    HA   PRO  81           HA       PRO  81   0.351  13.746   1.433
  679   1HB   PRO  81          HB2       PRO  81  -2.172  14.853   0.244
  680   2HB   PRO  81          HB1       PRO  81  -1.478  15.125   1.847
  681   1HG   PRO  81          HG2       PRO  81  -1.180  16.954  -0.053
  682   2HG   PRO  81          HG1       PRO  81   0.164  16.565   1.033
  683   1HD   PRO  81          HD1       PRO  81  -0.229  15.846  -1.827
  684   2HD   PRO  81          HD2       PRO  81   1.274  16.135  -0.929
  685    H    VAL  82           HN       VAL  82   0.165  11.598   1.632
  686    HA   VAL  82           HA       VAL  82  -1.757  10.185  -0.045
  687    HB   VAL  82           HB       VAL  82   0.913   9.675   0.737
  688   1HG1  VAL  82          HG21      VAL  82  -0.713   7.270   1.474
  689   2HG1  VAL  82          HG22      VAL  82  -0.200   8.441   2.688
  690   3HG1  VAL  82          HG23      VAL  82   1.004   7.578   1.734
  691   1HG2  VAL  82          HG11      VAL  82  -1.116   8.348  -0.994
  692   2HG2  VAL  82          HG12      VAL  82   0.466   7.604  -0.749
  693   3HG2  VAL  82          HG13      VAL  82   0.351   9.224  -1.438
  694    H    ARG  83           HN       ARG  83  -3.191   8.674   0.734
  695    HA   ARG  83           HA       ARG  83  -3.626   8.512   3.623
  696   1HB   ARG  83          HB2       ARG  83  -5.738   9.190   1.568
  697   2HB   ARG  83          HB1       ARG  83  -6.107   8.662   3.204
  698   1HG   ARG  83          HG1       ARG  83  -4.246  10.820   3.323
  699   2HG   ARG  83          HG2       ARG  83  -5.600  11.274   2.286
  700   1HD   ARG  83          HD1       ARG  83  -6.003  10.024   4.987
  701   2HD   ARG  83          HD2       ARG  83  -5.817  11.766   4.780
  702    HE   ARG  83           HE       ARG  83  -8.139  10.217   4.219
  703   1HH1  ARG  83          HH11      ARG  83  -6.336  13.016   3.198
  704   2HH1  ARG  83          HH12      ARG  83  -7.715  13.822   2.528
  705   1HH2  ARG  83          HH21      ARG  83  -9.961  11.267   3.340
  706   2HH2  ARG  83          HH22      ARG  83  -9.777  12.827   2.609
  707    H    LYS  84           HN       LYS  84  -3.342   6.391   4.023
  708    HA   LYS  84           HA       LYS  84  -4.284   4.497   1.981
  709   1HB   LYS  84          HB1       LYS  84  -1.901   4.445   2.177
  710   2HB   LYS  84          HB2       LYS  84  -1.987   4.352   3.930
  711   1HG   LYS  84          HG2       LYS  84  -2.977   2.120   3.758
  712   2HG   LYS  84          HG1       LYS  84  -2.860   2.216   1.999
  713   1HD   LYS  84          HD2       LYS  84  -0.384   2.744   3.528
  714   2HD   LYS  84          HD1       LYS  84  -0.975   1.082   3.525
  715   1HE   LYS  84          HE2       LYS  84  -0.717   0.856   1.238
  716   2HE   LYS  84          HE1       LYS  84  -0.781   2.595   0.957
  717   1HZ   LYS  84          HZ1       LYS  84   1.451   1.758   0.654
  718   2HZ   LYS  84          HZ2       LYS  84   1.466   1.118   2.219
  719   3HZ   LYS  84          HZ3       LYS  84   1.403   2.793   1.991
  720    H    HIS  85           HN       HIS  85  -5.293   2.614   2.537
  721    HA   HIS  85           HA       HIS  85  -6.499   2.553   5.209
  722   1HB   HIS  85          HB1       HIS  85  -7.332   1.306   2.588
  723   2HB   HIS  85          HB2       HIS  85  -8.070   0.867   4.126
  724    HD1  HIS  85           HD1      HIS  85 -10.118   2.160   4.652
  725    HD2  HIS  85           HD2      HIS  85  -7.507   4.286   2.229
  726    HE1  HIS  85           HE1      HIS  85 -11.284   4.333   4.159
  727    HE2  HIS  85           HE2      HIS  85  -9.684   5.609   2.688
  728    H    TYR  86           HN       TYR  86  -6.779   0.351   6.154
  729    HA   TYR  86           HA       TYR  86  -4.341  -1.214   5.617
  730   1HB   TYR  86          HB2       TYR  86  -5.668  -0.351   8.148
  731   2HB   TYR  86          HB1       TYR  86  -4.597  -1.752   8.146
  732    HD1  TYR  86           HD1      TYR  86  -4.759   1.691   8.647
  733    HD2  TYR  86           HD2      TYR  86  -2.277  -1.302   6.931
  734    HE1  TYR  86           HE1      TYR  86  -2.828   3.182   8.864
  735    HE2  TYR  86           HE2      TYR  86  -0.330   0.175   7.140
  736    HH   TYR  86           HH       TYR  86  -0.543   3.431   7.668
  737    H    ASN  87           HN       ASN  87  -4.314  -3.436   6.187
  738    HA   ASN  87           HA       ASN  87  -6.654  -4.893   6.862
  739   1HB   ASN  87          HB1       ASN  87  -7.156  -4.253   4.478
  740   2HB   ASN  87          HB2       ASN  87  -5.741  -5.181   3.991
  741   1HD2  ASN  87          HD22      ASN  87  -8.073  -5.862   2.907
  742   2HD2  ASN  87          HD21      ASN  87  -8.660  -7.348   3.567
  743    H    LEU  88           HN       LEU  88  -4.739  -5.335   8.303
  744    HA   LEU  88           HA       LEU  88  -2.749  -7.137   7.173
  745   1HB   LEU  88          HB1       LEU  88  -2.857  -6.595  10.092
  746   2HB   LEU  88          HB2       LEU  88  -1.470  -6.770   9.034
  747    HG   LEU  88           HG       LEU  88  -3.243  -4.331   8.965
  748   1HD1  LEU  88          HD21      LEU  88  -2.185  -3.378  10.696
  749   2HD1  LEU  88          HD22      LEU  88  -0.639  -4.127  10.295
  750   3HD1  LEU  88          HD23      LEU  88  -1.859  -5.042  11.182
  751   1HD2  LEU  88          HD11      LEU  88  -0.399  -4.771   8.086
  752   2HD2  LEU  88          HD12      LEU  88  -1.364  -3.311   7.867
  753   3HD2  LEU  88          HD13      LEU  88  -1.803  -4.793   7.020
  754    H    PHE  89           HN       PHE  89  -2.431  -9.266   7.847
  755    HA   PHE  89           HA       PHE  89  -4.012 -10.556   9.801
  756   1HB   PHE  89          HB2       PHE  89  -5.305 -12.025   8.193
  757   2HB   PHE  89          HB1       PHE  89  -5.862 -10.358   8.312
  758    HD1  PHE  89           HD1      PHE  89  -5.745  -8.876   6.452
  759    HD2  PHE  89           HD2      PHE  89  -4.076 -12.783   6.209
  760    HE1  PHE  89           HE1      PHE  89  -5.535  -8.632   4.012
  761    HE2  PHE  89           HE2      PHE  89  -3.862 -12.546   3.771
  762    HZ   PHE  89           HZ       PHE  89  -4.592 -10.467   2.669