*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   29-JUN-07   2JS1              
*TITLE     SOLUTION NMR STRUCTURE OF THE HOMODIMER PROTEIN YVFG FROM             
*TITLE    2 BACILLUS SUBTILIS, NORTHEAST STRUCTURAL GENOMICS                     
*TITLE    3 CONSORTIUM TARGET SR478                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNCHARACTERIZED PROTEIN YVFG;                              
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: 168;                                                         
*SOURCE   5 GENE: YVFG, BSU34210;                                                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET21                                     
*KEYWDS    HELICAL BUNDLE, HOMODIMER, STRUCTURAL GENOMICS, PSI-2,                
*KEYWDS   2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS          
*KEYWDS   3 CONSORTIUM, NESG                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.A.MACNAUGHTAN, T.WELDEGHIORGHIS, X.WANG, S.BANSAL, F.TIAN,          
*AUTHOR   2 D.WANG, H.JANJUA, K.CUNNINGHAM, L-C.MA, R.XIAO, J.LIU,               
*AUTHOR   3 M.C.BARAN, G.V.T.SWAPNA, T.B.ACTON, B.ROST, G.T.MONTELIONE,          
*AUTHOR   4 J.H.PRESTEGARD, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM             
*AUTHOR   5 (NESG)                                                               
*REVDAT   2   14-AUG-07 2JS1    1       TITLE                                    
*REVDAT   1   24-JUL-07 2JS1    0                                                
#
# This is an updated constraint file in which the authors corrected their data.
#

assign ( resid    7 and name    HA )
       ( resid    7 and name  HG1# )
        4.09  2.29  0.00 peak    1 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name  HG1# )
       ( resid   40 and name    HB )
        6.00  4.20  0.00 peak    5 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name  HG2# )
       ( resid   40 and name    HB )
        6.00  4.20  0.00 peak    6 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   40 and name    HB )
        6.00  4.20  0.00 peak    7 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HB )
       ( resid   41 and name    HN )
        6.00  4.20  0.00 peak   10 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   52 and name  HG1# )
        3.45  1.65  0.00 peak   18 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HA )
       ( resid   41 and name    HG )
        4.15  2.35  0.00 peak   21 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HA )
       ( resid   14 and name  HD2# )
        4.20  2.40  0.00 peak   22 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HA )
       ( resid   62 and name   HB# )
        6.00  4.20  0.00 peak   23 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HA )
       ( resid   14 and name  HD1# )
        4.20  2.40  0.00 peak   24 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HB )
       ( resid    8 and name    HA )
        4.84  3.04  0.00 peak   25 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid   11 and name    HB )
        3.59  1.79  0.00 peak   26 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid   11 and name  HG2# )
        4.48  2.68  0.00 peak   28 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid   11 and name  HD1# )
        4.62  2.82  0.00 peak   28 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   30 and name    HN )
!       ( resid   66 and name    HA )
!        6.00  4.20  0.00 peak   34 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HA )
       ( resid   66 and name  HG2# )
        3.43  1.63  0.00 peak   36 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   66 and name    HA )
!       ( resid   67 and name   HG1 )
!        6.00  4.20  0.00 peak   38 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name  HG1# )
        3.53  1.73  0.00 peak   40 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   41 and name    HG )
        6.00  4.20  0.00 peak   42 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name  HG2# )
        3.53  1.73  0.00 peak   43 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   51 and name  HG2# )
        3.27  1.47  0.00 peak   52 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   51 and name  HG1# )
        3.27  1.47  0.00 peak   53 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   56 and name  HG2# )
        4.05  2.25  0.00 peak   56 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   47 and name    HA )
        5.53  3.73  0.00 peak   70 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   46 and name    HG )
!       ( resid   47 and name    HA )
!        6.00  4.20  0.00 peak   80 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HA )
       ( resid   47 and name  HG2# )
        3.59  1.79  0.00 peak   84 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HA )
       ( resid   27 and name  HD1# )
        3.32  1.52  0.00 peak   89 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HA )
       ( resid   19 and name    HN )
        6.00  4.20  0.00 peak  102 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HA )
       ( resid   20 and name    HN )
        6.00  4.20  0.00 peak  102 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HA )
       ( resid   25 and name    HN )
        6.00  4.20  0.00 peak  105 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HA )
       ( resid   18 and name  HG1# )
        3.48  1.68  0.00 peak  110 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   26 and name    HA )
        6.00  4.20  0.00 peak  116 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   67 and name    HN )
        6.00  4.20  0.00 peak  116 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   26 and name    HA )
        3.55  1.75  0.00 peak  118 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HD1# )
       ( resid   26 and name    HA )
        4.87  3.07  0.00 peak  119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HA )
       ( resid   29 and name   HB# )
        3.65  1.85  0.00 peak  123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB# )
       ( resid   30 and name    HA )
        6.00  4.20  0.00 peak  124 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   66 and name  HG2# )
        5.20  3.40  0.00 peak  126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   61 and name    HA )
        5.50  3.70  0.00 peak  141 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   18 and name  HG1# )
        6.00  4.20  0.00 peak  151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HB )
       ( resid   67 and name    HA )
        6.00  4.20  0.00 peak  151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   67 and name    HA )
        4.10  2.30  0.00 peak  152 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name   HG1 )
        3.44  1.64  0.00 peak  156 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG2# )
       ( resid   14 and name    HA )
        6.00  4.20  0.00 peak  161 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   18 and name  HD1# )
        6.00  4.20  0.00 peak  175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HB )
       ( resid   19 and name    HA )
        4.76  2.96  0.00 peak  189 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   56 and name  HD1# )
        4.44  2.64  0.00 peak  213 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HA )
       ( resid   73 and name    HN )
        3.57  1.77  0.00 peak  219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HA )
       ( resid   61 and name    HN )
        4.14  2.34  0.00 peak  245 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HA )
       ( resid   67 and name    HN )
        3.84  2.04  0.00 peak  251 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   50 and name   HB# )
        6.00  4.20  0.00 peak  259 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   46 and name    HA )
!       ( resid   46 and name    HG )
!        2.58  0.78  0.00 peak  263 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HA )
       ( resid   48 and name    HN )
        3.66  1.86  0.00 peak  267 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name    HA )
        2.93  1.13  0.00 peak  268 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HA )
       ( resid   52 and name    HN )
        5.69  3.89  0.00 peak  269 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   40 and name  HG2# )
!       ( resid   43 and name    HA )
!        6.00  4.20  0.00 peak  272 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   40 and name    HN )
!       ( resid   43 and name    HA )
!        6.00  4.20  0.00 peak  276 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HA )
       ( resid   74 and name   HG1 )
        4.11  2.31  0.00 peak  278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HA )
       ( resid   74 and name   HG2 )
        4.11  2.31  0.00 peak  278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    3 and name    HA )
       ( resid    4 and name    HA )
        4.61  2.81  0.00 peak  279 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid    3 and name    HA )
!       ( resid    4 and name    HG )
!        6.00  4.20  0.00 peak  283 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HA )
       ( resid   73 and name    HG )
        3.51  1.71  0.00 peak  298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HA )
       ( resid   25 and name   HB1 )
        6.00  4.20  0.00 peak  314 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name   HB2 )
       ( resid   30 and name    HN )
        5.83  4.03  0.00 peak  347 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HB2 )
       ( resid   46 and name  HD2# )
        3.28  1.48  0.00 peak  349 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HD1 )
       ( resid   54 and name   HE# )
        2.36  0.56  0.00 peak  352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HD2 )
       ( resid   54 and name   HE# )
        2.36  0.56  0.00 peak  360 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB1 )
       ( resid   73 and name  HD1# )
        3.73  1.93  0.00 peak  376 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB1 )
       ( resid   73 and name  HD2# )
        3.73  1.93  0.00 peak  376 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB2 )
       ( resid   73 and name  HD1# )
        3.73  1.93  0.00 peak  380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB2 )
       ( resid   73 and name  HD2# )
        3.73  1.93  0.00 peak  380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name  HD1# )
       ( resid   56 and name    HB )
        5.17  3.37  0.00 peak  408 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name  HG2# )
       ( resid   61 and name   HG2 )
        6.00  4.20  0.00 peak  415 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   17 and name    HN )
!       ( resid   24 and name   HG1 )
!        6.00  4.20  0.00 peak  420 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HN )
       ( resid   24 and name   HG2 )
        6.00  4.20  0.00 peak  450 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG1 )
       ( resid   17 and name    HN )
        6.00  4.20  0.00 peak  487 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG1 )
       ( resid   21 and name    HN )
        5.17  3.37  0.00 peak  493 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG2 )
       ( resid   17 and name    HN )
        6.00  4.20  0.00 peak  506 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HB2 )
        4.06  2.26  0.00 peak  516 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB1 )
        4.02  2.22  0.00 peak  518 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   66 and name    HB )
        4.17  2.37  0.00 peak  535 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   66 and name    HB )
        6.00  4.20  0.00 peak  537 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   67 and name   HB1 )
        6.00  4.20  0.00 peak  544 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HB1 )
       ( resid   25 and name    HN )
        6.00  4.20  0.00 peak  547 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   51 and name    HB )
        6.00  4.20  0.00 peak  547 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HN )
       ( resid   24 and name   HB1 )
        6.00  4.20  0.00 peak  552 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   17 and name    HN )
!       ( resid   24 and name   HB2 )
!        5.09  3.29  0.00 peak  554 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HB )
       ( resid   53 and name    HN )
        4.56  2.76  0.00 peak  555 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name   HB2 )
       ( resid   71 and name    HN )
        4.13  2.33  0.00 peak  584 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   68 and name   HB1 )
        6.00  4.20  0.00 peak  586 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name   HB2 )
       ( resid   23 and name    HN )
        4.16  2.36  0.00 peak  629 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   37 and name    HB )
!       ( resid   41 and name    HG )
!        6.00  4.20  0.00 peak  672 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HG )
       ( resid   48 and name    HN )
        6.00  4.20  0.00 peak  674 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name    HG )
        5.36  3.56  0.00 peak  677 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HG )
       ( resid   74 and name    HN )
        4.46  2.66  0.00 peak  681 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name    HG )
        4.49  2.69  0.00 peak  682 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   40 and name    HN )
!       ( resid   41 and name    HG )
!        6.00  4.20  0.00 peak  692 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   39 and name    HN )
!       ( resid   41 and name    HG )
!        6.00  4.20  0.00 peak  695 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   59 and name  HD2# )
!       ( resid   63 and name    HA )
!        6.00  4.20  0.00 peak  713 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name  HD1# )
       ( resid   62 and name    HN )
        6.00  4.20  0.00 peak  736 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HG )
       ( resid   60 and name    HN )
        6.00  4.20  0.00 peak  740 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   66 and name  HG2# )
        3.96  2.16  0.00 peak  751 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name  HD1# )
        4.91  3.11  0.00 peak  757 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   67 and name   HG1 )
        4.93  3.13  0.00 peak  773 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HB1 )
       ( resid   46 and name  HD1# )
        3.28  1.48  0.00 peak  786 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HB2 )
       ( resid   46 and name  HD1# )
        3.28  1.48  0.00 peak  787 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name  HD1# )
        4.53  2.73  0.00 peak  792 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   53 and name  HD1# )
        4.21  2.41  0.00 peak  795 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name  HD2# )
        4.53  2.73  0.00 peak  796 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name  HD2# )
       ( resid   56 and name    HB )
        5.17  3.37  0.00 peak  800 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   53 and name  HD2# )
        4.21  2.41  0.00 peak  804 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name  HD2# )
       ( resid   10 and name   HE# )
        4.98  3.18  0.00 peak  809 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name  HD2# )
       ( resid   10 and name   HD# )
        6.00  4.20  0.00 peak  810 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name  HD2# )
       ( resid    9 and name   HE# )
        4.75  2.95  0.00 peak  811 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HA )
       ( resid    4 and name  HD2# )
        4.34  2.54  0.00 peak  812 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HN )
       ( resid    4 and name  HD2# )
        6.00  4.20  0.00 peak  817 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name  HD1# )
       ( resid   10 and name   HE# )
        4.98  3.18  0.00 peak  820 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name  HD1# )
       ( resid   10 and name   HD# )
        6.00  4.20  0.00 peak  821 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name  HD1# )
       ( resid    9 and name   HE# )
        4.75  2.95  0.00 peak  822 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name  HD1# )
       ( resid    9 and name   HD# )
        5.59  3.79  0.00 peak  823 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HA )
       ( resid    4 and name  HD1# )
        4.34  2.54  0.00 peak  824 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HN )
       ( resid    7 and name  HG2# )
        4.85  3.05  0.00 peak  829 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   47 and name  HG2# )
        6.00  4.20  0.00 peak  830 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name  HG2# )
       ( resid   52 and name    HN )
        4.99  3.19  0.00 peak  831 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name  HD2# )
        4.91  3.11  0.00 peak  841 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name  HG2# )
       ( resid   48 and name    HN )
        3.95  2.15  0.00 peak  862 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name  HG2# )
       ( resid   51 and name    HN )
        6.00  4.20  0.00 peak  864 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HA )
       ( resid    7 and name  HG2# )
        4.09  2.29  0.00 peak  865 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   47 and name  HG2# )
!       ( resid   51 and name    HB )
!        3.06  1.26  0.00 peak  867 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name  HG2# )
        5.13  3.33  0.00 peak  875 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   52 and name  HG2# )
        3.45  1.65  0.00 peak  880 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HB1 )
       ( resid   46 and name  HD2# )
        3.28  1.48  0.00 peak  884 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name    HZ )
       ( resid   37 and name  HG1# )
        4.31  2.51  0.00 peak  888 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HE# )
       ( resid   37 and name  HG1# )
        4.11  2.31  0.00 peak  889 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HE# )
       ( resid   37 and name  HG2# )
        4.11  2.31  0.00 peak  904 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   51 and name  HG2# )
        5.55  3.75  0.00 peak  918 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   51 and name  HG2# )
        4.92  3.12  0.00 peak  920 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   66 and name  HG1# )
        5.20  3.40  0.00 peak  929 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   66 and name  HG1# )
        3.88  2.08  0.00 peak  932 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   66 and name    HA )
!       ( resid   66 and name  HG1# )
!        3.43  1.63  0.00 peak  933 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name  HG1# )
        5.13  3.33  0.00 peak  942 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name   HB# )
        4.09  2.29  0.00 peak  956 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   62 and name   HB# )
        6.00  4.20  0.00 peak  957 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name  HD1# )
       ( resid   62 and name   HB# )
        3.91  2.11  0.00 peak  959 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HA )
       ( resid   40 and name  HG2# )
        3.55  1.75  0.00 peak  965 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   40 and name  HG2# )
        5.52  3.72  0.00 peak  967 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name  HG1# )
       ( resid   61 and name   HG1 )
        6.00  4.20  0.00 peak  974 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name  HG1# )
       ( resid   61 and name   HG2 )
        6.00  4.20  0.00 peak  977 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   59 and name  HD1# )
        5.39  3.59  0.00 peak  990 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   59 and name  HD1# )
!       ( resid   63 and name    HA )
!        6.00  4.20  0.00 peak  991 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name  HG2# )
       ( resid   43 and name    HN )
        5.19  3.39  0.00 peak 1017 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name  HG2# )
        4.09  2.29  0.00 peak 1021 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB# )
       ( resid   51 and name    HN )
        4.61  2.81  0.00 peak 1032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HE2 )
       ( resid   50 and name   HB# )
        5.27  3.47  0.00 peak 1034 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HE1 )
       ( resid   50 and name   HB# )
        5.27  3.47  0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB# )
       ( resid   51 and name    HB )
        6.00  4.20  0.00 peak 1036 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB# )
        3.44  1.64  0.00 peak 1038 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB# )
       ( resid   53 and name    HN )
        5.44  3.64  0.00 peak 1040 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   39 and name    HN )
!       ( resid   56 and name  HG2# )
!        6.00  4.20  0.00 peak 1045 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   53 and name    HN )
!       ( resid   56 and name  HG2# )
!        6.00  4.20  0.00 peak 1045 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name  HG2# )
        6.00  4.20  0.00 peak 1046 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HG2# )
       ( resid   57 and name    HN )
        6.00  4.20  0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HG2# )
       ( resid   60 and name    HN )
        6.00  4.20  0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   56 and name  HG2# )
        6.00  4.20  0.00 peak 1051 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HG2# )
       ( resid   57 and name    HA )
        6.00  4.20  0.00 peak 1051 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   42 and name    HB )
!       ( resid   56 and name  HG2# )
!        6.00  4.20  0.00 peak 1053 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HA )
       ( resid   56 and name  HG2# )
        6.00  4.20  0.00 peak 1055 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   29 and name   HB# )
        3.80  2.00  0.00 peak 1056 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HB1 )
       ( resid   29 and name   HB# )
        5.10  3.30  0.00 peak 1060 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB# )
        3.86  2.06  0.00 peak 1064 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   29 and name   HB# )
        4.23  2.43  0.00 peak 1067 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HG2# )
       ( resid   29 and name   HB# )
        5.40  3.60  0.00 peak 1073 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HG2# )
       ( resid   28 and name    HN )
        6.00  4.20  0.00 peak 1078 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   27 and name  HG2# )
        6.00  4.20  0.00 peak 1084 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   18 and name  HG1# )
        3.35  1.55  0.00 peak 1087 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HN )
       ( resid   18 and name  HG2# )
        5.06  3.26  0.00 peak 1088 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HG2# )
        4.43  2.63  0.00 peak 1089 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   19 and name    HN )
        4.72  2.92  0.00 peak 1090 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HA )
       ( resid   18 and name  HG2# )
        5.28  3.48  0.00 peak 1091 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   18 and name  HG2# )
        3.81  2.01  0.00 peak 1092 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   18 and name  HG1# )
        3.19  1.39  0.00 peak 1095 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   29 and name   HB# )
        3.62  1.82  0.00 peak 1096 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG2# )
       ( resid   14 and name    HN )
        6.00  4.20  0.00 peak 1114 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG2# )
       ( resid   62 and name    HA )
        4.50  2.70  0.00 peak 1116 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HA )
       ( resid   11 and name  HG2# )
        4.13  2.33  0.00 peak 1117 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG2# )
       ( resid   62 and name   HB# )
        3.41  1.61  0.00 peak 1120 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD1# )
       ( resid   62 and name    HA )
        4.49  2.69  0.00 peak 1125 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HA )
       ( resid   11 and name  HD1# )
        6.00  4.20  0.00 peak 1126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HB )
       ( resid   11 and name  HD1# )
        2.98  1.18  0.00 peak 1130 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD1# )
       ( resid   62 and name   HB# )
        3.56  1.76  0.00 peak 1132 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HD1# )
        4.99  3.19  0.00 peak 1135 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HD1# )
       ( resid   19 and name    HA )
        6.00  4.20  0.00 peak 1136 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HD1# )
       ( resid   29 and name   HB# )
        4.55  2.75  0.00 peak 1137 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HA )
       ( resid   18 and name  HD1# )
        3.94  2.14  0.00 peak 1139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   18 and name  HD1# )
        4.49  2.69  0.00 peak 1140 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name  HD1# )
        5.19  3.39  0.00 peak 1146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   56 and name  HD1# )
        6.00  4.20  0.00 peak 1148 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HB )
       ( resid   56 and name  HD1# )
        5.86  4.06  0.00 peak 1149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HB )
       ( resid   56 and name  HD1# )
        3.48  1.68  0.00 peak 1150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   67 and name    HN )
        6.00  4.20  0.00 peak 1153 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   71 and name    HN )
        4.98  3.18  0.00 peak 1154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   27 and name  HD1# )
        5.00  3.20  0.00 peak 1155 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   63 and name   HE# )
        6.00  4.20  0.00 peak 1156 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HB )
       ( resid   27 and name  HD1# )
        3.28  1.48  0.00 peak 1161 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HA )
       ( resid   24 and name   HB2 )
        6.00  4.20  0.00 peak 1179 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name  HG2# )
       ( resid   61 and name   HG1 )
        6.00  4.20  0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name    HG )
        6.00  4.20  0.00 peak 1211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name  HD2# )
       ( resid   62 and name   HB# )
        3.91  2.11  0.00 peak 1213 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HD# )
       ( resid   59 and name  HD2# )
        6.00  4.20  0.00 peak 1215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name  HG2# )
       ( resid   51 and name  HG2# )
        2.79  0.99  0.00 peak 1218 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name  HG2# )
       ( resid   51 and name  HG1# )
        2.79  0.99  0.00 peak 1219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG1# )
       ( resid   29 and name   HB# )
        5.35  3.55  0.00 peak 1227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB# )
       ( resid   66 and name    HB )
        5.61  3.81  0.00 peak 1227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name    HA )
       ( resid   20 and name   HE# )
        4.71  2.91  0.00 peak 1231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name    HN )
       ( resid   20 and name   HE# )
        5.85  4.05  0.00 peak 1233 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HN )
       ( resid   20 and name   HE# )
        6.00  4.20  0.00 peak 1234 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   56 and name  HD1# )
!       ( resid   60 and name    HN )
!        6.00  4.20  0.00 peak 1243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    3 and name    HA )
       ( resid    4 and name    HN )
        3.44  1.64  0.00 peak   45 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HN )
       ( resid    4 and name    HG )
        4.88  3.08  0.00 peak   48 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HN )
       ( resid    4 and name  HD1# )
        6.00  4.20  0.00 peak   51 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   51 and name    HN )
        6.00  4.20  0.00 peak   59 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   48 and name    HN )
        5.37  3.57  0.00 peak   66 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HA )
       ( resid   48 and name    HN )
        3.28  1.48  0.00 peak   67 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HB )
       ( resid   48 and name    HN )
        6.00  4.20  0.00 peak   72 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   51 and name  HG1# )
        5.55  3.75  0.00 peak   73 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name   HB1 )
       ( resid   26 and name    HN )
        4.39  2.59  0.00 peak   80 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HB1 )
        4.06  2.26  0.00 peak   82 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HG1 )
        5.14  3.34  0.00 peak   83 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HG2 )
        5.14  3.34  0.00 peak   83 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   46 and name    HG )
        6.00  4.20  0.00 peak   86 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   45 and name    HN )
!       ( resid   47 and name    HN )
!        4.83  3.03  0.00 peak   89 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   15 and name    HA )
        5.96  4.16  0.00 peak   96 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HN )
       ( resid   14 and name    HN )
        5.65  3.85  0.00 peak  101 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   16 and name    HN )
        5.85  4.05  0.00 peak  101 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   14 and name    HG )
        3.83  2.03  0.00 peak  107 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   14 and name  HD2# )
        3.96  2.16  0.00 peak  108 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   14 and name  HD1# )
        3.96  2.16  0.00 peak  109 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   33 and name   HE# )
        6.00  4.20  0.00 peak  110 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HA )
       ( resid   29 and name    HN )
        4.98  3.18  0.00 peak  112 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   29 and name    HN )
!       ( resid   30 and name   HE# )
!        6.00  4.20  0.00 peak  113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   29 and name    HN )
        4.15  2.35  0.00 peak  115 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name   HB2 )
       ( resid   29 and name    HN )
        4.46  2.66  0.00 peak  119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   31 and name    HN )
        6.00  4.20  0.00 peak  122 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   29 and name    HN )
        5.65  3.85  0.00 peak  123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HB )
       ( resid   29 and name    HN )
        6.00  4.20  0.00 peak  125 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HG2# )
       ( resid   29 and name    HN )
        6.00  4.20  0.00 peak  126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name  HD1# )
        4.98  3.18  0.00 peak  133 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name  HD2# )
        4.98  3.18  0.00 peak  134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HD1# )
       ( resid   59 and name    HN )
        6.00  4.20  0.00 peak  139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HB )
       ( resid   59 and name    HN )
        6.00  4.20  0.00 peak  140 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HA )
       ( resid   72 and name    HN )
        3.07  1.27  0.00 peak  144 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   74 and name   HG1 )
        6.00  4.20  0.00 peak  147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   74 and name   HG2 )
        6.00  4.20  0.00 peak  147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB2 )
        4.02  2.22  0.00 peak  149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   62 and name    HA )
        5.83  4.03  0.00 peak  154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   62 and name   HB# )
        4.38  2.58  0.00 peak  157 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   11 and name  HD1# )
        4.03  2.23  0.00 peak  158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   13 and name    HN )
        6.00  4.20  0.00 peak  161 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   11 and name    HB )
        3.37  1.57  0.00 peak  162 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   28 and name    HN )
        6.00  4.20  0.00 peak  170 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HA )
       ( resid   41 and name    HN )
        6.00  4.20  0.00 peak  173 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   25 and name    HN )
!       ( resid   25 and name   HB1 )
!        3.39  1.59  0.00 peak  175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HB2 )
       ( resid   25 and name    HN )
        3.75  1.95  0.00 peak  176 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   72 and name    HN )
!       ( resid   73 and name    HN )
!        3.54  1.74  0.00 peak  178 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   33 and name    HN )
        3.91  2.11  0.00 peak  186 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HD# )
        4.91  3.11  0.00 peak  187 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HB1 )
        3.88  2.08  0.00 peak  188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   33 and name    HN )
        4.44  2.64  0.00 peak  189 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HB2 )
        3.88  2.08  0.00 peak  190 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   50 and name    HA )
        5.70  3.90  0.00 peak  194 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   49 and name    HN )
        4.56  2.76  0.00 peak  196 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HA )
       ( resid   49 and name    HN )
        3.11  1.31  0.00 peak  198 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name   HB1 )
        4.14  2.34  0.00 peak  200 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name   HB2 )
        4.14  2.34  0.00 peak  201 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   11 and name  HG2# )
        4.12  2.32  0.00 peak  205 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    2 and name   HB1 )
       ( resid    3 and name    HN )
        5.08  3.28  0.00 peak  206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    3 and name    HN )
       ( resid    4 and name    HN )
        6.00  4.20  0.00 peak  207 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    2 and name   HB2 )
       ( resid    3 and name    HN )
        5.08  3.28  0.00 peak  209 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   41 and name    HN )
        3.76  1.96  0.00 peak  212 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   14 and name    HA )
!       ( resid   25 and name    HN )
!        6.00  4.20  0.00 peak  216 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name  HG2# )
       ( resid   41 and name    HN )
        4.55  2.75  0.00 peak  219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   42 and name    HN )
        3.55  1.75  0.00 peak  222 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HE# )
       ( resid   37 and name    HN )
        6.00  4.20  0.00 peak  226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HD# )
       ( resid   37 and name    HN )
        6.00  4.20  0.00 peak  226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name    HB )
        3.77  1.97  0.00 peak  231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   59 and name  HD2# )
        5.39  3.59  0.00 peak  235 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   37 and name    HN )
        6.00  4.20  0.00 peak  236 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB# )
       ( resid   33 and name    HN )
        6.00  4.20  0.00 peak  237 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   14 and name  HD2# )
!       ( resid   62 and name    HN )
!        6.00  4.20  0.00 peak  250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   25 and name    HN )
        4.41  2.61  0.00 peak  259 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HN )
       ( resid   24 and name    HN )
        3.39  1.59  0.00 peak  260 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   24 and name   HB2 )
        3.59  1.79  0.00 peak  264 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HA )
       ( resid   24 and name    HN )
        6.00  4.20  0.00 peak  267 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   74 and name    HN )
!       ( resid   75 and name    HN )
!        3.61  1.81  0.00 peak  268 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HA )
       ( resid   74 and name    HN )
        3.22  1.42  0.00 peak  269 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name    HN )
       ( resid   11 and name    HN )
        4.31  2.51  0.00 peak  274 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name   HD# )
       ( resid   10 and name    HN )
        4.68  2.88  0.00 peak  275 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name    HN )
       ( resid   10 and name    HN )
        4.24  2.44  0.00 peak  278 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid    9 and name   HE# )
!       ( resid   10 and name    HN )
!        4.92  3.12  0.00 peak  279 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   67 and name    HN )
        4.71  2.91  0.00 peak  282 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   68 and name    HN )
        3.61  1.81  0.00 peak  283 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   67 and name    HN )
!       ( resid   67 and name   HB1 )
!        2.88  1.08  0.00 peak  288 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name   HB2 )
        3.66  1.86  0.00 peak  289 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid   10 and name    HN )
        4.85  3.05  0.00 peak  292 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   60 and name    HN )
        3.82  2.02  0.00 peak  295 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name  HD1# )
       ( resid   60 and name    HN )
        6.00  4.20  0.00 peak  297 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   59 and name   HB2 )
!       ( resid   60 and name    HN )
!        3.28  1.48  0.00 peak  302 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   67 and name   HG1 )
        4.66  2.86  0.00 peak  303 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   66 and name  HG2# )
        3.70  1.90  0.00 peak  304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   66 and name  HG1# )
        3.70  1.90  0.00 peak  305 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   53 and name    HA )
        6.00  4.20  0.00 peak  313 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name  HD2# )
       ( resid   60 and name    HN )
        6.00  4.20  0.00 peak  318 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   45 and name    HN )
!       ( resid   46 and name    HN )
!        3.61  1.81  0.00 peak  324 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   47 and name    HB )
        5.29  3.49  0.00 peak  326 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   66 and name    HN )
        3.41  1.61  0.00 peak  334 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   25 and name    HN )
        6.00  4.20  0.00 peak  342 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   41 and name    HN )
        6.00  4.20  0.00 peak  342 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   38 and name    HN )
        3.55  1.75  0.00 peak  343 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   39 and name    HN )
        3.87  2.07  0.00 peak  343 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   40 and name    HN )
        5.93  4.13  0.00 peak  344 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HA )
       ( resid   18 and name    HN )
        4.44  2.64  0.00 peak  345 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name  HG2# )
       ( resid   38 and name    HN )
        4.63  2.83  0.00 peak  351 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HE# )
       ( resid   38 and name    HN )
        6.00  4.20  0.00 peak  352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HD# )
       ( resid   38 and name    HN )
        6.00  4.20  0.00 peak  352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HE# )
       ( resid   38 and name    HN )
        6.00  4.20  0.00 peak  353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HB )
       ( resid   38 and name    HN )
        4.58  2.78  0.00 peak  354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   52 and name    HN )
        4.98  3.18  0.00 peak  356 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name    HB )
        3.70  1.90  0.00 peak  357 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HN )
       ( resid   70 and name    HN )
        3.33  1.53  0.00 peak  362 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   70 and name    HN )
        4.88  3.08  0.00 peak  363 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   70 and name    HN )
        4.29  2.49  0.00 peak  368 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   70 and name    HN )
        5.25  3.45  0.00 peak  373 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   40 and name    HB )
        6.00  4.20  0.00 peak  374 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   29 and name   HB# )
        4.93  3.13  0.00 peak  378 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HG1# )
        3.55  1.75  0.00 peak  380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name  HG1# )
       ( resid   38 and name    HN )
        4.63  2.83  0.00 peak  382 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HN )
       ( resid    7 and name    HB )
        4.07  2.27  0.00 peak  387 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HN )
       ( resid    7 and name  HG1# )
        4.85  3.05  0.00 peak  389 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HN )
       ( resid   10 and name    HN )
        6.00  4.20  0.00 peak  390 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   36 and name    HN )
        6.00  4.20  0.00 peak  396 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   34 and name    HN )
        3.85  2.05  0.00 peak  398 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   35 and name    HN )
        4.15  2.35  0.00 peak  398 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   34 and name    HN )
        6.00  4.20  0.00 peak  407 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   57 and name    HN )
        4.26  2.46  0.00 peak  411 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HA )
       ( resid   57 and name    HN )
        4.49  2.69  0.00 peak  412 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HA )
       ( resid   57 and name    HN )
        4.84  3.04  0.00 peak  412 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HD1# )
       ( resid   57 and name    HN )
        4.52  2.72  0.00 peak  414 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   51 and name    HA )
        6.00  4.20  0.00 peak  417 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   34 and name    HN )
        3.89  2.09  0.00 peak  418 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   47 and name    HN )
        3.23  1.43  0.00 peak  420 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HA )
       ( resid   47 and name    HN )
        3.55  1.75  0.00 peak  421 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name    HB )
        3.74  1.94  0.00 peak  423 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name  HG2# )
        4.21  2.41  0.00 peak  425 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   51 and name  HG1# )
        4.92  3.12  0.00 peak  426 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   50 and name    HN )
        4.18  2.38  0.00 peak  427 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   52 and name    HN )
        4.98  3.18  0.00 peak  428 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   51 and name    HN )
        3.87  2.07  0.00 peak  429 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name  HG2# )
       ( resid   50 and name    HN )
        6.00  4.20  0.00 peak  442 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HA )
       ( resid   75 and name    HN )
        3.37  1.57  0.00 peak  447 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   47 and name    HN )
!       ( resid   51 and name    HA )
!        6.00  4.20  0.00 peak  451 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   45 and name    HN )
        4.68  2.88  0.00 peak  453 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name  HG2# )
       ( resid   44 and name    HN )
        6.00  4.20  0.00 peak  458 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   44 and name    HN )
        5.16  3.36  0.00 peak  460 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   44 and name    HN )
        5.42  3.62  0.00 peak  462 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HB )
       ( resid   44 and name    HN )
        5.64  3.84  0.00 peak  464 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   25 and name    HA )
!       ( resid   28 and name    HN )
!        4.64  2.84  0.00 peak  468 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name   HB2 )
       ( resid   28 and name    HN )
        3.71  1.91  0.00 peak  469 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   22 and name    HN )
        3.90  2.10  0.00 peak  471 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   20 and name    HN )
!       ( resid   21 and name    HN )
!        3.26  1.46  0.00 peak  472 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   22 and name    HA )
        4.48  2.68  0.00 peak  476 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG2 )
       ( resid   21 and name    HN )
        5.17  3.37  0.00 peak  483 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   54 and name    HN )
        3.79  1.99  0.00 peak  486 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   55 and name    HN )
        4.11  2.31  0.00 peak  486 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   54 and name    HN )
        4.42  2.62  0.00 peak  487 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   56 and name    HN )
        5.09  3.29  0.00 peak  487 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   54 and name    HN )
        4.33  2.53  0.00 peak  488 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   54 and name    HN )
        6.00  4.20  0.00 peak  491 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HE# )
       ( resid   63 and name    HN )
        6.00  4.20  0.00 peak  495 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   63 and name    HN )
        3.73  1.93  0.00 peak  497 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name   HB# )
       ( resid   63 and name    HN )
        4.21  2.41  0.00 peak  502 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD1# )
       ( resid   63 and name    HN )
        5.65  3.85  0.00 peak  505 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HG )
       ( resid   63 and name    HN )
        6.00  4.20  0.00 peak  505 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   66 and name    HB )
        6.00  4.20  0.00 peak  508 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HD# )
       ( resid   63 and name    HN )
        5.78  3.98  0.00 peak  509 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HA )
       ( resid   63 and name    HN )
        6.00  4.20  0.00 peak  510 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   64 and name    HA )
        6.00  4.20  0.00 peak  510 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   62 and name    HA )
        6.00  4.20  0.00 peak  514 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HN )
       ( resid   24 and name    HN )
        4.71  2.91  0.00 peak  517 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HA )
       ( resid   22 and name    HN )
        3.42  1.62  0.00 peak  519 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name    HA )
       ( resid   22 and name    HN )
        6.00  4.20  0.00 peak  521 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   57 and name    HN )
        5.82  4.02  0.00 peak  535 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   61 and name    HN )
        6.00  4.20  0.00 peak  540 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD1# )
       ( resid   61 and name    HN )
        5.89  4.09  0.00 peak  543 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid    6 and name    HN )
!       ( resid    9 and name    HN )
!        4.07  2.27  0.00 peak  545 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name    HN )
       ( resid    9 and name   HD# )
        5.30  3.50  0.00 peak  546 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HA )
       ( resid    9 and name    HN )
        3.73  1.93  0.00 peak  550 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HB )
       ( resid    9 and name    HN )
        4.79  2.99  0.00 peak  554 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid    4 and name    HA )
!       ( resid    9 and name    HN )
!        6.00  4.20  0.00 peak  558 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   33 and name   HD# )
        6.00  4.20  0.00 peak  560 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   27 and name    HN )
        3.81  2.01  0.00 peak  564 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   28 and name    HN )
        3.96  2.16  0.00 peak  566 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   25 and name    HA )
!       ( resid   27 and name    HN )
!        4.86  3.06  0.00 peak  567 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HG1 )
       ( resid   27 and name    HN )
        5.13  3.33  0.00 peak  572 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HG2 )
       ( resid   27 and name    HN )
        5.13  3.33  0.00 peak  572 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   27 and name  HG2# )
        3.91  2.11  0.00 peak  573 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HN )
       ( resid   16 and name    HN )
        3.39  1.59  0.00 peak  576 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   30 and name    HN )
        3.64  1.84  0.00 peak  583 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   30 and name    HN )
        5.68  3.88  0.00 peak  592 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   30 and name    HN )
        5.61  3.81  0.00 peak  594 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   58 and name    HN )
        5.64  3.84  0.00 peak  595 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   59 and name    HN )
        3.73  1.93  0.00 peak  596 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   66 and name    HB )
        4.48  2.68  0.00 peak  600 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   59 and name   HB2 )
        4.80  3.00  0.00 peak  601 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HG2# )
       ( resid   30 and name    HN )
        6.00  4.20  0.00 peak  605 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   27 and name  HD1# )
!       ( resid   30 and name    HN )
!        6.00  4.20  0.00 peak  605 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HD1# )
       ( resid   58 and name    HN )
        6.00  4.20  0.00 peak  606 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid   12 and name    HN )
        4.13  2.33  0.00 peak  610 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HB )
       ( resid   12 and name    HN )
        3.02  1.22  0.00 peak  612 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   43 and name    HN )
        5.54  3.74  0.00 peak  616 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   43 and name    HN )
        3.93  2.13  0.00 peak  617 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   44 and name    HN )
        3.37  1.57  0.00 peak  619 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   43 and name    HN )
        4.56  2.76  0.00 peak  621 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HB )
       ( resid   43 and name    HN )
        4.21  2.41  0.00 peak  624 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name  HG2# )
       ( resid   43 and name    HN )
        6.00  4.20  0.00 peak  626 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name  HG1# )
       ( resid   43 and name    HN )
        5.19  3.39  0.00 peak  627 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   33 and name    HN )
        6.00  4.20  0.00 peak  629 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   31 and name    HN )
!       ( resid   34 and name   HD# )
!        5.68  3.88  0.00 peak  631 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name   HE# )
       ( resid   31 and name    HN )
        5.73  3.93  0.00 peak  636 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB# )
       ( resid   31 and name    HN )
        6.00  4.20  0.00 peak  637 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   31 and name    HN )
        4.01  2.21  0.00 peak  638 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HG2# )
       ( resid   31 and name    HN )
        5.86  4.06  0.00 peak  643 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name    HN )
       ( resid   12 and name    HN )
        5.63  3.83  0.00 peak  647 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   57 and name    HN )
        6.00  4.20  0.00 peak  653 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   56 and name    HN )
        3.65  1.85  0.00 peak  654 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   35 and name    HN )
       ( resid   36 and name    HN )
        4.08  2.28  0.00 peak  660 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   19 and name    HN )
        3.54  1.74  0.00 peak  664 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   56 and name    HN )
        4.51  2.71  0.00 peak  675 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   56 and name    HN )
        5.38  3.58  0.00 peak  677 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   64 and name    HN )
        4.25  2.45  0.00 peak  682 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   68 and name    HN )
        6.00  4.20  0.00 peak  683 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HE# )
       ( resid   64 and name    HN )
        4.38  2.58  0.00 peak  685 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD1# )
       ( resid   64 and name    HN )
        6.00  4.20  0.00 peak  690 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   12 and name    HN )
        4.10  2.30  0.00 peak  692 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG2# )
       ( resid   12 and name    HN )
        3.79  1.99  0.00 peak  693 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   55 and name    HN )
        4.36  2.56  0.00 peak  696 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   13 and name    HN )
       ( resid   33 and name   HE# )
        5.63  3.83  0.00 peak  702 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   52 and name    HN )
        4.13  2.33  0.00 peak  707 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HA )
       ( resid   51 and name    HN )
        5.24  3.44  0.00 peak  708 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name  HG2# )
        3.87  2.07  0.00 peak  713 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name  HG1# )
        3.87  2.07  0.00 peak  714 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   53 and name    HN )
        5.25  3.45  0.00 peak  716 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HN )
       ( resid   18 and name  HD1# )
        4.40  2.60  0.00 peak  720 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   15 and name    HN )
        4.24  2.44  0.00 peak  721 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   14 and name    HG )
!       ( resid   15 and name    HN )
!        3.33  1.53  0.00 peak  727 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HA )
       ( resid   15 and name    HN )
        5.52  3.72  0.00 peak  729 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HN )
       ( resid   19 and name    HN )
        4.01  2.21  0.00 peak  732 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG2# )
       ( resid   13 and name    HN )
        6.00  4.20  0.00 peak  733 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   13 and name    HN )
       ( resid   14 and name    HN )
        4.08  2.28  0.00 peak  736 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HN )
       ( resid   13 and name    HN )
        3.37  1.57  0.00 peak  737 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   13 and name    HN )
       ( resid   15 and name    HN )
        5.01  3.21  0.00 peak  747 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name   HB1 )
       ( resid   71 and name    HN )
        4.13  2.33  0.00 peak  760 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   32 and name    HN )
        4.48  2.68  0.00 peak  764 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   32 and name    HN )
        4.39  2.59  0.00 peak  769 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   68 and name    HN )
        6.00  4.20  0.00 peak  775 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   53 and name    HN )
        4.08  2.28  0.00 peak  777 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   53 and name    HN )
        5.24  3.44  0.00 peak  780 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   56 and name    HB )
        6.00  4.20  0.00 peak  787 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HA )
       ( resid   68 and name    HN )
        4.04  2.24  0.00 peak  790 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   68 and name    HN )
!       ( resid   68 and name   HB1 )
!        3.02  1.22  0.00 peak  794 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   67 and name   HB1 )
!       ( resid   68 and name    HN )
!        3.24  1.44  0.00 peak  795 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name   HB2 )
       ( resid   68 and name    HN )
        4.15  2.35  0.00 peak  796 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name   HG1 )
       ( resid   68 and name    HN )
        4.52  2.72  0.00 peak  797 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HA )
       ( resid   68 and name    HN )
        6.00  4.20  0.00 peak  798 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   70 and name   HG1 )
        6.00  4.20  0.00 peak  800 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   70 and name   HG2 )
        6.00  4.20  0.00 peak  801 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name    HN )
       ( resid   20 and name    HN )
        6.00  4.20  0.00 peak  803 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   20 and name    HN )
        5.93  4.13  0.00 peak  806 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   21 and name    HA )
        6.00  4.20  0.00 peak  811 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    6 and name    HN )
       ( resid    7 and name    HN )
        6.00  4.20  0.00 peak  840 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   23 and name    HN )
!       ( resid   25 and name    HN )
!        4.56  2.76  0.00 peak  845 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HA )
       ( resid   23 and name    HN )
        4.54  2.74  0.00 peak  847 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HA )
       ( resid   23 and name    HN )
        3.55  1.75  0.00 peak  849 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name   HB1 )
       ( resid   23 and name    HN )
        4.16  2.36  0.00 peak  852 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HN )
       ( resid   24 and name   HB2 )
        4.22  2.42  0.00 peak  853 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HN )
       ( resid   24 and name    HA )
        5.60  3.80  0.00 peak  854 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HA )
       ( resid    6 and name    HN )
        6.00  4.20  0.00 peak  857 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HN )
       ( resid    6 and name    HN )
        6.00  4.20  0.00 peak  859 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   42 and name    HN )
        5.53  3.73  0.00 peak  875 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name  HG2# )
        3.99  2.19  0.00 peak  877 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   38 and name    HN )
        5.92  4.12  0.00 peak  894 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   37 and name    HN )
        3.70  1.90  0.00 peak  895 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   40 and name    HN )
        3.98  2.18  0.00 peak  895 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   40 and name    HB )
        6.00  4.20  0.00 peak  986 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   41 and name    HN )
        6.00  4.20  0.00 peak  988 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   42 and name    HB )
        5.60  3.80  0.00 peak  994 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name  HG2# )
       ( resid   42 and name    HN )
        6.00  4.20  0.00 peak 1008 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name  HG1# )
        4.09  2.29  0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   69 and name    HN )
        2.93  1.13  0.00 peak 1023 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB1 )
       ( resid   69 and name    HN )
        3.52  1.72  0.00 peak 1026 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name   HG1 )
       ( resid   69 and name    HN )
        6.00  4.20  0.00 peak 1027 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HD1# )
       ( resid   69 and name    HN )
        6.00  4.20  0.00 peak 1028 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   69 and name    HN )
        6.00  4.20  0.00 peak 1028 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   69 and name    HN )
        5.15  3.35  0.00 peak 1029 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HN )
       ( resid   70 and name    HA )
        5.04  3.24  0.00 peak 1032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid   11 and name    HN )
        4.27  2.47  0.00 peak 1037 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HD# )
       ( resid   64 and name    HN )
        4.23  2.43  0.00 peak   37 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HD# )
        4.56  2.76  0.00 peak   45 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name    HZ )
       ( resid   37 and name  HG2# )
        4.31  2.51  0.00 peak   54 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HD# )
        4.87  3.07  0.00 peak   59 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HD# )
       ( resid   63 and name    HA )
        4.43  2.63  0.00 peak   61 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HA )
       ( resid   34 and name   HD# )
        4.44  2.64  0.00 peak   62 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HD# )
       ( resid   59 and name  HD1# )
        6.00  4.20  0.00 peak   64 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name   HD# )
       ( resid   10 and name   HE# )
        4.69  2.89  0.00 peak   68 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HA )
       ( resid    9 and name   HD# )
        5.06  3.26  0.00 peak   72 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name  HD2# )
       ( resid    9 and name   HD# )
        5.59  3.79  0.00 peak   73 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HN )
       ( resid    9 and name   HD# )
        5.00  3.20  0.00 peak   74 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name   HD# )
       ( resid   10 and name    HZ )
        6.00  4.20  0.00 peak   75 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HD# )
       ( resid   34 and name    HN )
        4.36  2.56  0.00 peak   77 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HG )
       ( resid   33 and name   HD# )
        6.00  4.20  0.00 peak   82 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HD# )
       ( resid   62 and name   HB# )
        6.00  4.20  0.00 peak   82 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HE# )
       ( resid   10 and name   HD# )
        3.15  1.35  0.00 peak   93 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   10 and name   HD# )
!      ( resid   59 and name    HA )
!       3.44  1.64  0.00 peak   95 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name   HE# )
       ( resid   10 and name   HD# )
        5.15  3.35  0.00 peak   97 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HD# )
       ( resid   33 and name   HE# )
        5.32  3.52  0.00 peak   97 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HD# )
       ( resid   37 and name    HB )
        6.00  4.20  0.00 peak   98 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HD# )
       ( resid   59 and name   HB2 )
        6.00  4.20  0.00 peak   98 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HN )
       ( resid    9 and name   HE# )
        5.26  3.46  0.00 peak  168 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name   HE# )
       ( resid   10 and name   HE# )
        4.70  2.90  0.00 peak  169 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HA )
       ( resid    9 and name   HE# )
        4.82  3.02  0.00 peak  173 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid    9 and name   HE# )
!       ( resid   10 and name    HZ )
!        4.37  2.57  0.00 peak  174 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HE# )
       ( resid   59 and name    HG )
        4.78  2.98  0.00 peak  180 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HG )
       ( resid   33 and name   HE# )
        4.77  2.97  0.00 peak  183 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HE# )
       ( resid   34 and name    HN )
        5.84  4.04  0.00 peak  188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HE# )
        6.00  4.20  0.00 peak  202 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HE# )
       ( resid   63 and name   HD# )
        2.93  1.13  0.00 peak  204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HE# )
       ( resid   67 and name   HG1 )
        3.95  2.15  0.00 peak  210 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HE# )
       ( resid   60 and name    HN )
        5.40  3.60  0.00 peak  214 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HE# )
       ( resid   34 and name   HD# )
        3.07  1.27  0.00 peak  215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HA )
       ( resid   34 and name   HE# )
        5.41  3.61  0.00 peak  217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    2 and name   HB# )
       ( resid    3 and name    HN )
        4.45  2.65  0.00 peak  206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    3 and name    HA )
       ( resid    4 and name   HB# )
        4.47  2.67  0.00 peak  282 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    3 and name   HG# )
       ( resid    4 and name    HN )
        5.84  3.98  0.00 peak  429 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    3 and name   HG# )
       ( resid    4 and name   HD# )
        5.79  3.99  0.00 peak  825 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HN )
       ( resid    4 and name   HB# )
        3.57  1.77  0.00 peak   47 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HN )
       ( resid    4 and name   HD# )
        4.50  2.70  0.00 peak   51 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name    HA )
       ( resid    4 and name   HD# )
        3.68  1.88  0.00 peak  824 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name   HB# )
       ( resid    4 and name   HD# )
        2.80  1.00  0.00 peak 1185 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name   HD# )
       ( resid    9 and name   HE# )
        4.06  2.26  0.00 peak  822 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name   HD# )
       ( resid    9 and name   HD# )
        4.37  2.57  0.00 peak   73 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    4 and name   HD# )
       ( resid   10 and name   HE# )
        4.15  2.35  0.00 peak  820 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid    6 and name    HN )
!       ( resid    9 and name   HB# )
!        3.65  1.85  0.00 peak  861 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name    HN )
       ( resid    7 and name   HG# )
        4.20  2.40  0.00 peak  829 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HG# )
       ( resid   10 and name    HN )
        5.69  3.89  0.00 peak 1005 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HG# )
       ( resid   61 and name    HN )
        5.92  4.12  0.00 peak 1006 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HG# )
       ( resid   61 and name   HG# )
        3.63  1.83  0.00 peak  977 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HG# )
       ( resid   62 and name    HN )
        5.92  4.12  0.00 peak 1006 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HB# )
       ( resid    9 and name    HN )
        4.11  2.31  0.00 peak  555 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HB# )
       ( resid   11 and name    HN )
        5.50  3.70  0.00 peak  163 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HB# )
       ( resid   11 and name  HG2# )
        5.14  3.34  0.00 peak 1113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HB# )
       ( resid   37 and name   HG# )
        5.18  3.38  0.00 peak  860 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HB# )
       ( resid   59 and name   HD# )
        4.40  2.60  0.00 peak  993 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HB# )
       ( resid   62 and name    HN )
        5.81  4.01  0.00 peak  252 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HB# )
       ( resid   62 and name   HB# )
        4.94  3.14  0.00 peak  954 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HE# )
       ( resid   37 and name   HG# )
        3.51  1.71  0.00 peak  904 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HE# )
       ( resid   59 and name   HD# )
        3.82  2.02  0.00 peak   89 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name   HD# )
       ( resid   37 and name   HG# )
        3.82  2.02  0.00 peak   96 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name    HZ )
       ( resid   37 and name   HG# )
        3.15  1.35  0.00 peak  888 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   11 and name  HG1# )
        4.15  2.35  0.00 peak  158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   61 and name   HG# )
        5.81  4.01  0.00 peak  163 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HB )
       ( resid   61 and name   HG# )
        5.81  4.01  0.00 peak  410 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG2# )
       ( resid   12 and name   HG# )
        4.76  2.96  0.00 peak  453 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG2# )
       ( resid   14 and name   HD# )
        3.52  1.72  0.00 peak 1238 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG1# )
       ( resid   13 and name    HN )
        5.81  4.01  0.00 peak  985 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG1# )
       ( resid   61 and name   HG# )
        4.17  2.37  0.00 peak  983 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG1# )
       ( resid   62 and name    HN )
        3.89  2.09  0.00 peak  980 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HG1# )
       ( resid   62 and name    HA )
        3.48  1.68  0.00 peak  304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD1# )
       ( resid   14 and name   HD# )
        4.10  2.30  0.00 peak 1239 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD1# )
       ( resid   61 and name   HB# )
        4.40  2.60  0.00 peak 1128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD1# )
       ( resid   61 and name   HG# )
        4.07  2.27  0.00 peak 1129 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HN )
       ( resid   12 and name   HB# )
        3.32  1.52  0.00 peak  649 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HN )
       ( resid   12 and name   HG# )
        3.70  1.90  0.00 peak  454 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HN )
       ( resid   13 and name   HB# )
        5.03  3.23  0.00 peak  613 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HN )
       ( resid   14 and name   HD# )
        4.62  2.82  0.00 peak  646 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HA )
       ( resid   12 and name   HG# )
        3.35  1.55  0.00 peak  170 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name   HG# )
       ( resid   13 and name    HN )
        5.81  4.01  0.00 peak  432 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   13 and name    HN )
       ( resid   14 and name   HD# )
        5.38  3.58  0.00 peak  746 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   13 and name   HB# )
       ( resid   15 and name    HN )
        5.81  4.01  0.00 peak  725 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   13 and name   HB# )
       ( resid   33 and name   HE# )
        4.45  2.65  0.00 peak  182 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   14 and name   HB# )
        3.54  1.74  0.00 peak  105 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   14 and name   HD# )
        3.38  1.58  0.00 peak  108 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HN )
       ( resid   33 and name   HB# )
        5.81  4.01  0.00 peak   98 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   33 and name   HB# )
        5.69  3.89  0.00 peak  149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HB# )
       ( resid   18 and name  HG2# )
        3.94  2.14  0.00 peak 1094 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HB# )
       ( resid   18 and name  HD1# )
        4.85  3.05  0.00 peak 1142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   15 and name    HN )
        3.80  2.00  0.00 peak  730 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   17 and name    HN )
        5.92  4.12  0.00 peak  752 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   29 and name    HN )
        5.92  4.12  0.00 peak  736 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   29 and name   HB# )
        5.92  4.12  0.00 peak  733 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   30 and name    HN )
        5.92  4.12  0.00 peak  603 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   30 and name    HA )
        4.69  2.89  0.00 peak  126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   33 and name    HN )
        5.92  4.12  0.00 peak  192 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   33 and name   HB# )
        5.07  3.27  0.00 peak 1212 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   33 and name   HE# )
        3.89  2.09  0.00 peak  686 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   33 and name   HD# )
        3.78  1.98  0.00 peak   83 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   34 and name    HN )
        5.87  4.07  0.00 peak  403 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   59 and name   HD# )
        4.52  2.72  0.00 peak  996 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   61 and name   HG# )
        5.73  3.93  0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   14 and name   HD# )
!       ( resid   62 and name    HN )
!        5.22  3.42  0.00 peak  250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   62 and name    HA )
        3.88  2.08  0.00 peak  300 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   62 and name   HB# )
        2.93  1.13  0.00 peak  959 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   63 and name    HN )
        5.44  3.64  0.00 peak  504 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   63 and name    HA )
        4.16  2.36  0.00 peak  737 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   66 and name    HN )
        5.92  4.12  0.00 peak  740 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD# )
       ( resid   66 and name    HB )
        3.94  2.14  0.00 peak  538 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HN )
       ( resid   15 and name   HB# )
        3.39  1.59  0.00 peak  727 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name   HB# )
       ( resid   16 and name    HN )
        3.15  1.35  0.00 peak  652 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name    HA )
       ( resid   16 and name   HG# )
        3.17  1.37  0.00 peak  164 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG# )
       ( resid   17 and name    HA )
        4.44  2.64  0.00 peak  498 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG# )
       ( resid   18 and name    HN )
        5.81  4.01  0.00 peak  505 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG# )
       ( resid   20 and name    HN )
        4.50  2.70  0.00 peak  809 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG# )
       ( resid   21 and name    HN )
        4.45  2.65  0.00 peak  483 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name   HG# )
       ( resid   22 and name    HN )
        4.06  2.26  0.00 peak  523 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   16 and name   HG# )
!       ( resid   22 and name   HB# )
!        2.66  0.86  0.00 peak 1198 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HA )
       ( resid   20 and name   HG# )
        5.81  4.01  0.00 peak  103 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name   HB# )
       ( resid   18 and name  HG2# )
        4.06  2.26  0.00 peak 1093 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name   HB# )
       ( resid   19 and name    HN )
        4.75  2.95  0.00 peak  704 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   26 and name   HB# )
        4.18  2.38  0.00 peak   51 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   26 and name   HG# )
        4.77  2.97  0.00 peak  777 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   24 and name   HG# )
        5.29  3.49  0.00 peak  452 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   26 and name   HG# )
        3.37  1.57  0.00 peak 1229 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HD1# )
       ( resid   26 and name   HG# )
        4.13  2.33  0.00 peak 1138 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HD1# )
       ( resid   70 and name   HG# )
        4.94  3.14  0.00 peak 1142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name    HN )
       ( resid   19 and name   HG# )
        4.65  2.85  0.00 peak  423 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name    HN )
       ( resid   26 and name   HG# )
        5.81  4.01  0.00 peak  674 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name    HA )
       ( resid   19 and name   HG# )
        3.55  1.75  0.00 peak  424 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   20 and name    HN )
!       ( resid   20 and name   HG# )
!        3.58  1.78  0.00 peak  805 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   21 and name   HB# )
        5.81  4.01  0.00 peak  398 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HA )
       ( resid   20 and name   HG# )
        3.33  1.53  0.00 peak  243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name   HB# )
       ( resid   21 and name    HN )
        3.28  1.48  0.00 peak  482 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name   HB# )
       ( resid   22 and name    HN )
        4.31  2.51  0.00 peak  525 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   21 and name   HB# )
        3.28  1.48  0.00 peak  480 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   22 and name   HB# )
        4.16  2.36  0.00 peak  481 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HA )
       ( resid   22 and name   HB# )
        5.81  4.01  0.00 peak 1179 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name   HB# )
       ( resid   24 and name    HN )
        5.81  4.01  0.00 peak  266 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HN )
       ( resid   22 and name   HB# )
        3.34  1.54  0.00 peak  524 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HN )
       ( resid   22 and name   HG# )
        4.88  3.08  0.00 peak  458 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HA )
       ( resid   22 and name   HG# )
        3.32  1.52  0.00 peak  206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name   HB# )
       ( resid   23 and name    HN )
        3.59  1.79  0.00 peak  629 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name   HG# )
       ( resid   23 and name    HN )
        4.37  2.57  0.00 peak  461 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   24 and name   HG# )
        4.41  2.61  0.00 peak  422 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HA )
       ( resid   24 and name   HG# )
        3.57  1.77  0.00 peak  308 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HG# )
       ( resid   29 and name    HN )
        4.36  2.56  0.00 peak  120 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HG# )
       ( resid   29 and name   HB# )
        3.65  1.85  0.00 peak 1068 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HG# )
       ( resid   32 and name    HN )
        5.05  3.25  0.00 peak  767 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HG# )
       ( resid   33 and name    HN )
        4.31  2.51  0.00 peak  191 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   26 and name   HB# )
        5.30  3.50  0.00 peak  316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HB# )
        3.56  1.76  0.00 peak   82 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HG# )
        4.42  2.62  0.00 peak   83 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HA )
       ( resid   26 and name   HG# )
        3.65  1.85  0.00 peak  117 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   26 and name   HB# )
!       ( resid   27 and name  HG2# )
!        4.26  2.46  0.00 peak 1070 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HB# )
       ( resid   27 and name  HG1# )
        5.61  3.81  0.00 peak  510 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HB# )
       ( resid   29 and name    HN )
        5.81  4.01  0.00 peak  129 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HG# )
       ( resid   27 and name    HN )
        4.41  2.61  0.00 peak  572 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HG# )
       ( resid   29 and name    HN )
        5.81  4.01  0.00 peak  128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   27 and name  HG1# )
        5.81  4.01  0.00 peak  660 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HA )
       ( resid   66 and name   HG# )
        5.34  3.54  0.00 peak  727 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HA )
       ( resid   67 and name   HD# )
        4.95  3.15  0.00 peak  614 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HG2# )
       ( resid   27 and name  HG1# )
        3.17  1.37  0.00 peak 1083 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HG2# )
       ( resid   67 and name   HD# )
        5.75  3.95  0.00 peak 1072 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HG1# )
       ( resid   71 and name    HN )
        5.81  4.01  0.00 peak  656 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   67 and name   HD# )
        2.68  0.88  0.00 peak  616 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   70 and name   HB# )
        5.40  3.60  0.00 peak 1160 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name  HD1# )
       ( resid   70 and name   HG# )
        5.81  4.01  0.00 peak 1160 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   66 and name   HG# )
        4.13  2.33  0.00 peak  752 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB# )
       ( resid   33 and name   HB# )
        4.28  2.48  0.00 peak 1059 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   33 and name   HB# )
        4.41  2.61  0.00 peak  586 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   67 and name   HD# )
        5.77  3.97  0.00 peak  588 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   33 and name   HB# )
        5.81  4.01  0.00 peak  127 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   66 and name   HG# )
        4.12  2.32  0.00 peak  929 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   33 and name   HB# )
        5.03  3.23  0.00 peak  641 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   33 and name   HB# )
        5.81  4.01  0.00 peak  771 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HB# )
        3.30  1.50  0.00 peak  188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HB# )
       ( resid   34 and name    HN )
        4.05  2.25  0.00 peak  397 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HB# )
       ( resid   35 and name    HN )
        5.72  3.92  0.00 peak  667 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HE# )
       ( resid   37 and name   HG# )
        3.92  2.12  0.00 peak  946 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HE# )
       ( resid   59 and name   HD# )
        3.35  1.55  0.00 peak  187 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HD# )
       ( resid   37 and name   HG# )
        4.43  2.63  0.00 peak  946 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HD# )
       ( resid   59 and name   HD# )
        4.17  2.37  0.00 peak   84 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   38 and name   HG# )
        5.63  3.83  0.00 peak  406 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB# )
       ( resid   38 and name   HG# )
        5.38  3.58  0.00 peak  761 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HE# )
       ( resid   37 and name   HG# )
        5.11  3.31  0.00 peak  852 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HE# )
       ( resid   38 and name   HG# )
        4.34  2.54  0.00 peak  764 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HE# )
       ( resid   60 and name   HB# )
        5.34  3.54  0.00 peak  219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HE# )
       ( resid   63 and name   HB# )
        4.23  2.43  0.00 peak  216 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HD# )
       ( resid   38 and name   HG# )
        5.60  3.80  0.00 peak  769 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HD# )
       ( resid   59 and name   HD# )
        5.13  3.33  0.00 peak   64 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HD# )
       ( resid   63 and name   HB# )
        4.17  2.37  0.00 peak   66 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   35 and name    HN )
       ( resid   35 and name   HB# )
        3.14  1.34  0.00 peak  743 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   37 and name   HG# )
        4.85  3.05  0.00 peak  888 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HG# )
        3.40  1.60  0.00 peak  902 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   38 and name   HG# )
        4.65  2.85  0.00 peak  233 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   59 and name   HD# )
        4.49  2.69  0.00 peak  990 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name   HG# )
        2.77  0.97  0.00 peak   40 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HB )
       ( resid   38 and name   HG# )
        4.93  3.13  0.00 peak  766 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HB )
       ( resid   59 and name   HD# )
        4.41  2.61  0.00 peak  995 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   38 and name    HN )
        3.19  1.39  0.00 peak  382 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   38 and name    HA )
        3.47  1.67  0.00 peak   19 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   40 and name    HB )
        5.24  3.44  0.00 peak    6 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   40 and name  HG2# )
        4.87  3.07  0.00 peak  972 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   41 and name    HN )
        3.85  2.05  0.00 peak  220 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   41 and name   HB# )
        3.95  2.15  0.00 peak  893 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   41 and name   HD# )
        2.99  1.19  0.00 peak 1217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   42 and name    HN )
        5.25  3.45  0.00 peak  857 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   56 and name    HA )
        5.51  3.71  0.00 peak   55 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   59 and name    HN )
        5.52  3.72  0.00 peak  132 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HG# )
       ( resid   59 and name   HD# )
        3.18  1.38  0.00 peak  895 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HG# )
        3.11  1.31  0.00 peak  350 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   39 and name   HB# )
        5.04  3.24  0.00 peak  346 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   41 and name   HD# )
        5.18  3.38  0.00 peak  351 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HA )
       ( resid   41 and name   HD# )
        4.41  2.61  0.00 peak   21 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HA )
       ( resid   42 and name   HG# )
        5.92  4.12  0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name   HG# )
       ( resid   39 and name    HN )
        5.92  4.12  0.00 peak  768 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name   HG# )
       ( resid   59 and name   HB2 )
        5.57  3.77  0.00 peak  766 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name   HG# )
       ( resid   59 and name   HD# )
        3.42  1.62  0.00 peak  767 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name   HB# )
        3.32  1.52  0.00 peak  992 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   42 and name   HG# )
        5.92  4.12  0.00 peak  985 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   42 and name   HG# )
        5.92  4.12  0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB# )
       ( resid   40 and name    HN )
        3.30  1.50  0.00 peak  886 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB# )
       ( resid   40 and name  HG2# )
        5.81  4.01  0.00 peak  966 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB# )
       ( resid   41 and name    HN )
        5.78  3.98  0.00 peak  215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB# )
       ( resid   42 and name    HN )
        5.81  4.01  0.00 peak 1007 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   41 and name   HB# )
        5.33  3.53  0.00 peak  881 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   41 and name   HD# )
        5.35  3.55  0.00 peak  888 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   42 and name   HG# )
        5.56  3.76  0.00 peak  981 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   43 and name   HB# )
        5.84  4.04  0.00 peak  633 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   40 and name    HN )
!       ( resid   43 and name   HG# )
!        5.81  4.01  0.00 peak  479 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HB )
       ( resid   41 and name   HD# )
        5.92  4.12  0.00 peak    6 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name  HG2# )
       ( resid   41 and name   HB# )
        4.60  2.80  0.00 peak  915 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name  HG2# )
       ( resid   41 and name   HD# )
        5.10  3.30  0.00 peak  972 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name  HG2# )
       ( resid   43 and name   HB# )
        5.81  4.01  0.00 peak  969 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name  HG2# )
       ( resid   43 and name   HG# )
        5.81  4.01  0.00 peak  968 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name   HB# )
        3.06  1.26  0.00 peak  218 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name   HD# )
        3.85  2.05  0.00 peak  221 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   41 and name   HD# )
        3.95  2.15  0.00 peak  906 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HG )
       ( resid   59 and name   HD# )
        5.92  4.12  0.00 peak  694 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HD# )
       ( resid   42 and name    HN )
        4.31  2.51  0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HD# )
       ( resid   52 and name    HA )
        5.92  4.12  0.00 peak  914 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HD# )
       ( resid   55 and name    HN )
        5.10  3.30  0.00 peak  659 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HD# )
       ( resid   55 and name    HA )
        4.81  3.01  0.00 peak  907 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HD# )
       ( resid   56 and name    HN )
        5.92  4.12  0.00 peak  913 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HG# )
        3.52  1.72  0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   44 and name   HB# )
        5.81  4.01  0.00 peak 1014 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HA )
       ( resid   42 and name   HG# )
        3.12  1.32  0.00 peak   69 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HA )
       ( resid   52 and name   HG# )
        4.50  2.70  0.00 peak  937 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HB )
       ( resid   52 and name   HG# )
        5.92  4.12  0.00 peak  935 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid   43 and name    HN )
        3.96  2.16  0.00 peak  627 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid   43 and name   HB# )
        5.73  3.93  0.00 peak  631 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid   43 and name   HG# )
        5.73  3.93  0.00 peak  476 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid   44 and name    HN )
        4.47  2.67  0.00 peak  459 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid   44 and name   HB# )
        5.73  3.93  0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   42 and name   HG# )
!       ( resid   45 and name    HN )
!        5.92  4.12  0.00 peak   94 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid   52 and name    HN )
        5.92  4.12  0.00 peak 1012 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   42 and name   HG# )
!       ( resid   52 and name    HB )
!        3.22  1.42  0.00 peak  556 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid   56 and name  HG1# )
        5.66  3.86  0.00 peak 1025 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   43 and name    HN )
!       ( resid   43 and name   HG# )
!        3.40  1.60  0.00 peak  623 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   44 and name   HB# )
        5.33  3.53  0.00 peak  622 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   43 and name   HB# )
        2.44  0.64  0.00 peak  271 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   43 and name   HG# )
        3.55  1.75  0.00 peak  277 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   43 and name   HG# )
!       ( resid   44 and name    HN )
!        3.29  1.49  0.00 peak  457 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB# )
        3.23  1.43  0.00 peak  455 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   44 and name    HN )
!       ( resid   45 and name   HG# )
!        5.81  4.01  0.00 peak  472 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB# )
       ( resid   46 and name    HN )
        5.87  4.07  0.00 peak  327 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   45 and name   HG# )
        4.73  2.93  0.00 peak  489 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   46 and name   HB# )
        5.81  4.01  0.00 peak   86 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   45 and name    HN )
!       ( resid   51 and name   HG# )
!        5.92  4.12  0.00 peak   94 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HA )
       ( resid   45 and name   HG# )
        3.71  1.91  0.00 peak  491 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HG# )
       ( resid   46 and name    HN )
        4.21  2.41  0.00 peak  471 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HG# )
       ( resid   46 and name    HA )
        4.40  2.60  0.00 peak  491 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HG# )
       ( resid   46 and name   HB# )
        5.61  3.81  0.00 peak  495 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HG# )
       ( resid   46 and name    HG )
        5.81  4.01  0.00 peak  495 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HG# )
       ( resid   47 and name    HN )
        3.73  1.93  0.00 peak  470 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HG# )
       ( resid   48 and name    HN )
        5.81  4.01  0.00 peak  468 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HG# )
       ( resid   51 and name   HG# )
        4.15  2.35  0.00 peak  467 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HG# )
       ( resid   52 and name    HN )
        5.84  4.04  0.00 peak  309 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name   HB# )
        3.08  1.28  0.00 peak  323 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   46 and name    HN )
!       ( resid   51 and name   HG# )
!        4.45  2.65  0.00 peak  329 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HA )
       ( resid   46 and name   HD# )
        3.78  1.98  0.00 peak  842 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HB# )
       ( resid   46 and name   HD# )
        2.44  0.64  0.00 peak  884 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HB# )
       ( resid   47 and name    HA )
        5.81  4.01  0.00 peak   80 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HD# )
       ( resid   48 and name    HN )
        5.47  3.67  0.00 peak  785 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   51 and name   HG# )
        3.72  1.92  0.00 peak  426 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HA )
       ( resid   48 and name   HB# )
        5.81  4.01  0.00 peak   79 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HA )
       ( resid   51 and name   HG# )
        4.87  3.07  0.00 peak   81 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HB )
       ( resid   51 and name   HG# )
        4.45  2.65  0.00 peak   12 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HB )
       ( resid   52 and name   HG# )
        5.52  3.72  0.00 peak  879 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name  HG2# )
       ( resid   48 and name   HB# )
        3.72  1.92  0.00 peak  868 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name  HG2# )
       ( resid   51 and name   HG# )
        2.41  0.61  0.00 peak 1219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name   HB# )
        3.41  1.61  0.00 peak  523 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name   HG# )
        4.08  2.28  0.00 peak   70 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   48 and name    HN )
!       ( resid   48 and name   HE# )
!        5.81  4.01  0.00 peak   60 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   51 and name   HG# )
        4.66  2.86  0.00 peak   73 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   52 and name   HG# )
        4.73  2.93  0.00 peak   71 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB# )
       ( resid   49 and name    HN )
        3.64  1.84  0.00 peak  202 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB# )
       ( resid   50 and name    HN )
        3.96  2.16  0.00 peak  434 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB# )
       ( resid   50 and name   HB# )
        4.57  2.77  0.00 peak 1042 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB# )
       ( resid   51 and name   HG# )
        3.02  1.22  0.00 peak  927 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HG# )
       ( resid   48 and name   HE# )
        2.38  0.58  0.00 peak  353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HG# )
       ( resid   49 and name    HN )
        3.83  2.03  0.00 peak  204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HG# )
       ( resid   50 and name    HN )
        4.76  2.96  0.00 peak  722 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HG# )
       ( resid   50 and name    HA )
        4.54  2.74  0.00 peak  303 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HG# )
       ( resid   51 and name    HN )
        4.24  2.44  0.00 peak  711 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HG# )
       ( resid   51 and name   HG# )
        3.37  1.57  0.00 peak  928 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HG# )
       ( resid   52 and name    HN )
        4.79  2.99  0.00 peak  315 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HE# )
       ( resid   49 and name    HN )
        5.81  4.01  0.00 peak  199 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HE# )
       ( resid   49 and name    HA )
        5.81  4.01  0.00 peak  253 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HE# )
       ( resid   50 and name    HN )
        4.16  2.36  0.00 peak  432 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HE# )
       ( resid   50 and name   HB# )
        4.62  2.82  0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   48 and name   HE# )
!       ( resid   51 and name   HG# )
!        4.12  2.32  0.00 peak  354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name   HB# )
        3.53  1.73  0.00 peak  200 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   52 and name   HG# )
        5.15  3.35  0.00 peak  869 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   53 and name   HB# )
        4.67  2.87  0.00 peak  227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name   HB# )
       ( resid   50 and name    HN )
        3.56  1.76  0.00 peak  433 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name   HB# )
       ( resid   50 and name   HB# )
        5.09  3.29  0.00 peak 1041 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name   HB# )
       ( resid   51 and name    HN )
        5.81  4.01  0.00 peak  706 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name   HB# )
       ( resid   52 and name   HG# )
        4.89  3.09  0.00 peak  404 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name   HB# )
       ( resid   53 and name    HN )
        5.81  4.01  0.00 peak  776 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name   HB# )
       ( resid   53 and name   HD# )
        4.19  2.39  0.00 peak  798 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   51 and name   HG# )
        4.91  3.11  0.00 peak  917 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   52 and name   HG# )
        4.38  2.58  0.00 peak  438 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB# )
       ( resid   51 and name   HG# )
        3.62  1.82  0.00 peak 1224 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HG# )
        3.21  1.41  0.00 peak  713 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   52 and name   HG# )
        4.77  2.97  0.00 peak  878 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   51 and name   HG# )
        2.78  0.98  0.00 peak   52 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   54 and name   HB# )
        4.85  3.05  0.00 peak   50 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HB )
       ( resid   52 and name   HG# )
        4.56  2.76  0.00 peak  871 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HG# )
       ( resid   52 and name    HN )
        3.46  1.66  0.00 peak  316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HG# )
       ( resid   52 and name    HA )
        5.92  4.12  0.00 peak  979 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HG# )
       ( resid   54 and name    HN )
        5.92  4.12  0.00 peak  981 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HG# )
       ( resid   54 and name   HG# )
        5.06  3.26  0.00 peak  773 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HG# )
       ( resid   54 and name   HE# )
        5.92  4.12  0.00 peak  989 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name   HG# )
        3.63  1.83  0.00 peak  875 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   53 and name   HB# )
        5.14  3.34  0.00 peak  315 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   52 and name    HN )
!       ( resid   54 and name   HG# )
!        4.58  2.78  0.00 peak  360 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   54 and name   HD# )
        5.60  3.80  0.00 peak  310 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   52 and name   HG# )
        3.02  1.22  0.00 peak   18 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   52 and name    HA )
!       ( resid   54 and name   HD# )
!        5.44  3.64  0.00 peak  653 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HG# )
       ( resid   53 and name    HN )
        3.44  1.64  0.00 peak  785 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HG# )
       ( resid   53 and name    HA )
        3.63  1.83  0.00 peak  215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HG# )
       ( resid   53 and name   HB# )
        3.96  2.16  0.00 peak  898 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HG# )
       ( resid   54 and name    HN )
        4.78  2.98  0.00 peak  538 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   52 and name   HG# )
!       ( resid   54 and name   HG# )
!        5.23  3.43  0.00 peak  839 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HG# )
       ( resid   54 and name   HD# )
        5.34  3.54  0.00 peak  941 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HG# )
       ( resid   55 and name    HN )
        4.81  3.01  0.00 peak  698 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HG# )
       ( resid   56 and name    HB )
        5.92  4.12  0.00 peak  941 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name   HB# )
        3.19  1.39  0.00 peak  784 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name   HD# )
        3.88  2.08  0.00 peak  796 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   54 and name   HD# )
        5.39  3.59  0.00 peak  787 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   56 and name  HG1# )
        4.64  2.84  0.00 peak  783 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   53 and name   HD# )
        3.45  1.65  0.00 peak  804 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HB# )
       ( resid   53 and name   HD# )
        2.67  0.87  0.00 peak  807 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   53 and name   HB# )
!       ( resid   56 and name  HD1# )
!        5.30  3.50  0.00 peak 1151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid   54 and name    HN )
        5.27  3.47  0.00 peak  538 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid   56 and name    HA )
        5.92  4.12  0.00 peak   55 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid   56 and name    HB )
        4.14  2.34  0.00 peak  408 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid   56 and name  HG1# )
        3.97  2.17  0.00 peak  606 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid   57 and name    HA )
        4.80  3.00  0.00 peak  795 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid   57 and name   HG# )
        3.70  1.90  0.00 peak  465 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   54 and name   HG# )
        3.73  1.93  0.00 peak  490 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   56 and name  HG1# )
        5.81  4.01  0.00 peak  633 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   57 and name   HG# )
        4.90  3.10  0.00 peak  485 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HA )
       ( resid   54 and name   HG# )
        3.63  1.83  0.00 peak  191 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HA )
       ( resid   57 and name   HG# )
        5.81  4.01  0.00 peak  462 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HB# )
       ( resid   54 and name   HE# )
        4.64  2.84  0.00 peak  557 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HG# )
       ( resid   54 and name   HE# )
        2.95  1.15  0.00 peak  357 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HG# )
       ( resid   55 and name    HN )
        5.81  4.01  0.00 peak  779 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HD# )
       ( resid   54 and name   HE# )
        2.05  0.25  0.00 peak  352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   57 and name   HG# )
        5.31  3.51  0.00 peak  656 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   59 and name   HD# )
        5.92  4.12  0.00 peak   48 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HG2# )
       ( resid   57 and name   HG# )
        5.81  4.01  0.00 peak 1047 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HG2# )
       ( resid   59 and name   HD# )
        4.29  2.49  0.00 peak 1054 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HG1# )
       ( resid   57 and name    HN )
        4.04  2.24  0.00 peak  416 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name   HD# )
        4.16  2.36  0.00 peak  134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   59 and name   HD# )
        3.81  2.01  0.00 peak  992 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name   HB2 )
       ( resid   61 and name   HG# )
        5.81  4.01  0.00 peak  412 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name   HD# )
       ( resid   60 and name    HN )
        4.82  3.02  0.00 peak  318 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name   HD# )
       ( resid   62 and name   HB# )
        4.09  2.29  0.00 peak  994 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   61 and name   HB# )
        5.78  3.98  0.00 peak  597 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   61 and name   HG# )
        5.81  4.01  0.00 peak 1195 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB# )
       ( resid   61 and name   HG# )
        5.61  3.81  0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB# )
       ( resid   62 and name    HN )
        5.81  4.01  0.00 peak  250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB# )
       ( resid   63 and name    HN )
        5.81  4.01  0.00 peak  501 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB# )
       ( resid   63 and name   HE# )
        5.06  3.26  0.00 peak  208 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB# )
       ( resid   63 and name   HD# )
        5.18  3.38  0.00 peak   42 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB# )
        3.41  1.61  0.00 peak  511 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HG# )
        3.49  1.69  0.00 peak  515 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HA )
       ( resid   61 and name   HG# )
        3.56  1.76  0.00 peak  142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name   HB# )
       ( resid   62 and name    HN )
        4.03  2.23  0.00 peak  246 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name   HG# )
       ( resid   62 and name    HN )
        4.10  2.30  0.00 peak  245 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name   HG# )
       ( resid   65 and name   HB# )
        5.61  3.81  0.00 peak  410 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   63 and name   HB# )
        5.81  4.01  0.00 peak  253 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   65 and name   HB# )
        5.32  3.52  0.00 peak  248 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   65 and name   HB# )
        5.41  3.61  0.00 peak  302 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   64 and name   HB# )
        5.81  4.01  0.00 peak  506 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   65 and name   HB# )
        5.81  4.01  0.00 peak  508 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HB# )
       ( resid   64 and name    HN )
        3.57  1.77  0.00 peak  688 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HE# )
       ( resid   67 and name   HD# )
        4.83  3.03  0.00 peak  209 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   66 and name   HG# )
        5.61  3.81  0.00 peak  373 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   66 and name   HG# )
        3.10  1.30  0.00 peak  305 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HA )
       ( resid   66 and name   HG# )
        2.95  1.15  0.00 peak  933 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name   HG# )
       ( resid   67 and name    HN )
        3.71  1.91  0.00 peak  290 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name   HG# )
       ( resid   67 and name    HA )
        4.23  2.43  0.00 peak  754 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   66 and name   HG# )
!       ( resid   67 and name   HD# )
!        3.40  1.60  0.00 peak  756 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name   HG# )
       ( resid   69 and name    HN )
        5.92  4.12  0.00 peak 1036 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name   HG# )
       ( resid   70 and name   HG# )
        3.12  1.32  0.00 peak  435 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   70 and name   HB# )
        5.49  3.69  0.00 peak  298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   70 and name   HG# )
        5.81  4.01  0.00 peak  298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name   HD# )
        4.81  3.01  0.00 peak  154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name   HB2 )
       ( resid   68 and name   HD# )
        5.81  4.01  0.00 peak  341 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name   HD# )
       ( resid   70 and name    HN )
        5.81  4.01  0.00 peak  613 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid   67 and name   HD# )
!       ( resid   70 and name   HB# )
!        4.90  3.10  0.00 peak  619 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HG# )
        3.64  1.84  0.00 peak  795 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HD# )
        4.99  3.19  0.00 peak  793 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   69 and name   HA# )
        4.33  2.53  0.00 peak  791 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   70 and name   HB# )
        5.81  4.01  0.00 peak  800 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name   HG# )
        3.03  1.23  0.00 peak  211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name   HD# )
        5.43  3.63  0.00 peak  337 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB1 )
       ( resid   68 and name   HD# )
        3.39  1.59  0.00 peak  340 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB1 )
       ( resid   69 and name   HA# )
        4.46  2.66  0.00 peak  581 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HG# )
       ( resid   69 and name    HN )
        4.68  2.88  0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HN )
       ( resid   69 and name   HA# )
        2.58  0.78  0.00 peak 1033 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HN )
       ( resid   70 and name   HB# )
        5.81  4.01  0.00 peak 1034 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HN )
       ( resid   70 and name   HG# )
        4.75  2.95  0.00 peak  427 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name   HA# )
       ( resid   70 and name    HN )
        3.10  1.30  0.00 peak  367 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name   HA# )
       ( resid   70 and name    HA )
        5.24  3.44  0.00 peak 1177 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HN )
       ( resid   70 and name   HB# )
        3.05  1.25  0.00 peak  369 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HN )
       ( resid   70 and name   HG# )
        3.81  2.01  0.00 peak  437 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HA )
       ( resid   70 and name   HB# )
        2.60  0.80  0.00 peak  239 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HA )
       ( resid   70 and name   HG# )
        3.08  1.28  0.00 peak  239 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HN )
       ( resid   71 and name   HB# )
        3.06  1.26  0.00 peak  759 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HN )
       ( resid   72 and name   HG# )
        5.81  4.01  0.00 peak  768 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HA )
       ( resid   72 and name   HB# )
        4.87  3.07  0.00 peak  182 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name   HB# )
       ( resid   72 and name    HN )
        3.89  2.09  0.00 peak  146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name   HB# )
       ( resid   73 and name    HN )
        5.61  3.81  0.00 peak  180 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB# )
        3.48  1.68  0.00 peak  149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HG# )
        4.16  2.36  0.00 peak  150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HA )
       ( resid   72 and name   HG# )
        3.61  1.81  0.00 peak  248 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HA )
       ( resid   72 and name   HD# )
        5.81  4.01  0.00 peak  640 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name   HB# )
       ( resid   73 and name    HN )
        3.90  2.10  0.00 peak  182 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name   HB# )
       ( resid   73 and name   HD# )
        5.73  3.93  0.00 peak  521 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name   HB# )
        3.00  1.20  0.00 peak  183 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name   HD# )
        4.53  2.73  0.00 peak  858 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   74 and name   HG# )
        5.81  4.01  0.00 peak  181 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HA )
       ( resid   73 and name   HD# )
        3.48  1.68  0.00 peak  299 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HA )
       ( resid   74 and name   HB# )
        5.34  3.54  0.00 peak  582 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB# )
       ( resid   73 and name   HD# )
        2.70  0.90  0.00 peak  376 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB# )
       ( resid   74 and name    HN )
        4.12  2.32  0.00 peak  272 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB# )
       ( resid   74 and name   HG# )
        5.10  3.30  0.00 peak  443 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HD# )
       ( resid   74 and name    HN )
        4.67  2.87  0.00 peak  849 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HD# )
       ( resid   75 and name    HN )
        5.80  4.00  0.00 peak  856 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HD# )
       ( resid   75 and name   HB# )
        5.73  3.93  0.00 peak  853 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HN )
       ( resid   74 and name   HB# )
        3.19  1.39  0.00 peak  589 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HN )
       ( resid   74 and name   HG# )
        3.71  1.91  0.00 peak  270 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HA )
       ( resid   74 and name   HG# )
        3.53  1.73  0.00 peak  278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name   HB# )
       ( resid   75 and name    HA )
        5.81  4.01  0.00 peak  292 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HA )
       ( resid  107 and name  HG1# )
        4.09  2.29  0.00 peak    1 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name  HG1# )
       ( resid  140 and name    HB )
        6.00  4.20  0.00 peak    5 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name  HG2# )
       ( resid  140 and name    HB )
        6.00  4.20  0.00 peak    6 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HA )
       ( resid  140 and name    HB )
        6.00  4.20  0.00 peak    7 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HB )
       ( resid  141 and name    HN )
        6.00  4.20  0.00 peak   10 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HA )
       ( resid  152 and name  HG1# )
        3.45  1.65  0.00 peak   18 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HA )
       ( resid  141 and name    HG )
        4.15  2.35  0.00 peak   21 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HA )
       ( resid  114 and name  HD2# )
        4.20  2.40  0.00 peak   22 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HA )
       ( resid  162 and name   HB# )
        6.00  4.20  0.00 peak   23 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HA )
       ( resid  114 and name  HD1# )
        4.20  2.40  0.00 peak   24 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HB )
       ( resid  108 and name    HA )
        4.84  3.04  0.00 peak   25 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name    HA )
       ( resid  111 and name    HB )
        3.59  1.79  0.00 peak   26 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name    HA )
       ( resid  111 and name  HG2# )
        4.48  2.68  0.00 peak   28 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name    HA )
       ( resid  111 and name  HD1# )
        4.62  2.82  0.00 peak   28 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  130 and name    HN )
!       ( resid  166 and name    HA )
!        6.00  4.20  0.00 peak   34 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HA )
       ( resid  166 and name  HG2# )
        3.43  1.63  0.00 peak   36 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  166 and name    HA )
!       ( resid  167 and name   HG1 )
!        6.00  4.20  0.00 peak   38 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HA )
       ( resid  137 and name  HG1# )
        3.53  1.73  0.00 peak   40 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HA )
       ( resid  141 and name    HG )
        6.00  4.20  0.00 peak   42 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HA )
       ( resid  137 and name  HG2# )
        3.53  1.73  0.00 peak   43 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HA )
       ( resid  151 and name  HG2# )
        3.27  1.47  0.00 peak   52 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HA )
       ( resid  151 and name  HG1# )
        3.27  1.47  0.00 peak   53 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name    HA )
       ( resid  156 and name  HG2# )
        4.05  2.25  0.00 peak   56 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  147 and name    HA )
        5.53  3.73  0.00 peak   70 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  146 and name    HG )
!       ( resid  147 and name    HA )
!        6.00  4.20  0.00 peak   80 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HA )
       ( resid  147 and name  HG2# )
        3.59  1.79  0.00 peak   84 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HA )
       ( resid  127 and name  HD1# )
        3.32  1.52  0.00 peak   89 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name    HA )
       ( resid  119 and name    HN )
        6.00  4.20  0.00 peak  102 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name    HA )
       ( resid  120 and name    HN )
        6.00  4.20  0.00 peak  102 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name    HA )
       ( resid  125 and name    HN )
        6.00  4.20  0.00 peak  105 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name    HA )
       ( resid  118 and name  HG1# )
        3.48  1.68  0.00 peak  110 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  125 and name    HN )
       ( resid  126 and name    HA )
        6.00  4.20  0.00 peak  116 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  165 and name    HA )
       ( resid  167 and name    HN )
        6.00  4.20  0.00 peak  116 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG2# )
       ( resid  126 and name    HA )
        3.55  1.75  0.00 peak  118 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HD1# )
       ( resid  126 and name    HA )
        4.87  3.07  0.00 peak  119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HA )
       ( resid  129 and name   HB# )
        3.65  1.85  0.00 peak  123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name   HB# )
       ( resid  130 and name    HA )
        6.00  4.20  0.00 peak  124 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HA )
       ( resid  166 and name  HG2# )
        5.20  3.40  0.00 peak  126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  160 and name    HN )
       ( resid  161 and name    HA )
        5.50  3.70  0.00 peak  141 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HA )
       ( resid  118 and name  HG1# )
        6.00  4.20  0.00 peak  151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HB )
       ( resid  167 and name    HA )
        6.00  4.20  0.00 peak  151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  167 and name    HA )
        4.10  2.30  0.00 peak  152 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HA )
       ( resid  167 and name   HG1 )
        3.44  1.64  0.00 peak  156 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG2# )
       ( resid  114 and name    HA )
        6.00  4.20  0.00 peak  161 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HA )
       ( resid  118 and name  HD1# )
        6.00  4.20  0.00 peak  175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HB )
       ( resid  119 and name    HA )
        4.76  2.96  0.00 peak  189 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HA )
       ( resid  156 and name  HD1# )
        4.44  2.64  0.00 peak  213 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HA )
       ( resid  173 and name    HN )
        3.57  1.77  0.00 peak  219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  158 and name    HA )
       ( resid  161 and name    HN )
        4.14  2.34  0.00 peak  245 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  164 and name    HA )
       ( resid  167 and name    HN )
        3.84  2.04  0.00 peak  251 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HA )
       ( resid  150 and name   HB# )
        6.00  4.20  0.00 peak  259 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  146 and name    HA )
!       ( resid  146 and name    HG )
!        2.58  0.78  0.00 peak  263 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HA )
       ( resid  148 and name    HN )
        3.66  1.86  0.00 peak  267 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  146 and name    HA )
        2.93  1.13  0.00 peak  268 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HA )
       ( resid  152 and name    HN )
        5.69  3.89  0.00 peak  269 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  140 and name  HG2# )
!       ( resid  143 and name    HA )
!        6.00  4.20  0.00 peak  272 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  140 and name    HN )
!       ( resid  143 and name    HA )
!        6.00  4.20  0.00 peak  276 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  174 and name    HA )
       ( resid  174 and name   HG1 )
        4.11  2.31  0.00 peak  278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  174 and name    HA )
       ( resid  174 and name   HG2 )
        4.11  2.31  0.00 peak  278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  103 and name    HA )
       ( resid  104 and name    HA )
        4.61  2.81  0.00 peak  279 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  103 and name    HA )
!       ( resid  104 and name    HG )
!        6.00  4.20  0.00 peak  283 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HA )
       ( resid  173 and name    HG )
        3.51  1.71  0.00 peak  298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name    HA )
       ( resid  125 and name   HB1 )
        6.00  4.20  0.00 peak  314 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  125 and name   HB2 )
       ( resid  130 and name    HN )
        5.83  4.03  0.00 peak  347 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name   HB2 )
       ( resid  146 and name  HD2# )
        3.28  1.48  0.00 peak  349 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name   HD1 )
       ( resid  154 and name   HE# )
        2.36  0.56  0.00 peak  352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name   HD2 )
       ( resid  154 and name   HE# )
        2.36  0.56  0.00 peak  360 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HB1 )
       ( resid  173 and name  HD1# )
        3.73  1.93  0.00 peak  376 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HB1 )
       ( resid  173 and name  HD2# )
        3.73  1.93  0.00 peak  376 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HB2 )
       ( resid  173 and name  HD1# )
        3.73  1.93  0.00 peak  380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HB2 )
       ( resid  173 and name  HD2# )
        3.73  1.93  0.00 peak  380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name  HD1# )
       ( resid  156 and name    HB )
        5.17  3.37  0.00 peak  408 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name  HG2# )
       ( resid  161 and name   HG2 )
        6.00  4.20  0.00 peak  415 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  117 and name    HN )
!       ( resid  124 and name   HG1 )
!        6.00  4.20  0.00 peak  420 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name    HN )
       ( resid  124 and name   HG2 )
        6.00  4.20  0.00 peak  450 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG1 )
       ( resid  117 and name    HN )
        6.00  4.20  0.00 peak  487 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG1 )
       ( resid  121 and name    HN )
        5.17  3.37  0.00 peak  493 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG2 )
       ( resid  117 and name    HN )
        6.00  4.20  0.00 peak  506 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HN )
       ( resid  126 and name   HB2 )
        4.06  2.26  0.00 peak  516 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HN )
       ( resid  172 and name   HB1 )
        4.02  2.22  0.00 peak  518 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HN )
       ( resid  166 and name    HB )
        4.17  2.37  0.00 peak  535 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  164 and name    HN )
       ( resid  166 and name    HB )
        6.00  4.20  0.00 peak  537 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  167 and name   HB1 )
        6.00  4.20  0.00 peak  544 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name   HB1 )
       ( resid  125 and name    HN )
        6.00  4.20  0.00 peak  547 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  151 and name    HB )
        6.00  4.20  0.00 peak  547 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name    HN )
       ( resid  124 and name   HB1 )
        6.00  4.20  0.00 peak  552 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  117 and name    HN )
!       ( resid  124 and name   HB2 )
!        5.09  3.29  0.00 peak  554 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HB )
       ( resid  153 and name    HN )
        4.56  2.76  0.00 peak  555 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  170 and name   HB2 )
       ( resid  171 and name    HN )
        4.13  2.33  0.00 peak  584 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HN )
       ( resid  168 and name   HB1 )
        6.00  4.20  0.00 peak  586 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name   HB2 )
       ( resid  123 and name    HN )
        4.16  2.36  0.00 peak  629 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  137 and name    HB )
!       ( resid  141 and name    HG )
!        6.00  4.20  0.00 peak  672 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HG )
       ( resid  148 and name    HN )
        6.00  4.20  0.00 peak  674 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  146 and name    HG )
        5.36  3.56  0.00 peak  677 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HG )
       ( resid  174 and name    HN )
        4.46  2.66  0.00 peak  681 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HN )
       ( resid  173 and name    HG )
        4.49  2.69  0.00 peak  682 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  140 and name    HN )
!       ( resid  141 and name    HG )
!        6.00  4.20  0.00 peak  692 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  139 and name    HN )
!       ( resid  141 and name    HG )
!        6.00  4.20  0.00 peak  695 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  159 and name  HD2# )
!       ( resid  163 and name    HA )
!        6.00  4.20  0.00 peak  713 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name  HD1# )
       ( resid  162 and name    HN )
        6.00  4.20  0.00 peak  736 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HG )
       ( resid  160 and name    HN )
        6.00  4.20  0.00 peak  740 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HN )
       ( resid  166 and name  HG2# )
        3.96  2.16  0.00 peak  751 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  146 and name  HD1# )
        4.91  3.11  0.00 peak  757 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  167 and name   HG1 )
        4.93  3.13  0.00 peak  773 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name   HB1 )
       ( resid  146 and name  HD1# )
        3.28  1.48  0.00 peak  786 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name   HB2 )
       ( resid  146 and name  HD1# )
        3.28  1.48  0.00 peak  787 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HN )
       ( resid  153 and name  HD1# )
        4.53  2.73  0.00 peak  792 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HA )
       ( resid  153 and name  HD1# )
        4.21  2.41  0.00 peak  795 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HN )
       ( resid  153 and name  HD2# )
        4.53  2.73  0.00 peak  796 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name  HD2# )
       ( resid  156 and name    HB )
        5.17  3.37  0.00 peak  800 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HA )
       ( resid  153 and name  HD2# )
        4.21  2.41  0.00 peak  804 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name  HD2# )
       ( resid  110 and name   HE# )
        4.98  3.18  0.00 peak  809 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name  HD2# )
       ( resid  110 and name   HD# )
        6.00  4.20  0.00 peak  810 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name  HD2# )
       ( resid  109 and name   HE# )
        4.75  2.95  0.00 peak  811 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HA )
       ( resid  104 and name  HD2# )
        4.34  2.54  0.00 peak  812 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HN )
       ( resid  104 and name  HD2# )
        6.00  4.20  0.00 peak  817 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name  HD1# )
       ( resid  110 and name   HE# )
        4.98  3.18  0.00 peak  820 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name  HD1# )
       ( resid  110 and name   HD# )
        6.00  4.20  0.00 peak  821 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name  HD1# )
       ( resid  109 and name   HE# )
        4.75  2.95  0.00 peak  822 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name  HD1# )
       ( resid  109 and name   HD# )
        5.59  3.79  0.00 peak  823 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HA )
       ( resid  104 and name  HD1# )
        4.34  2.54  0.00 peak  824 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HN )
       ( resid  107 and name  HG2# )
        4.85  3.05  0.00 peak  829 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  147 and name  HG2# )
        6.00  4.20  0.00 peak  830 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name  HG2# )
       ( resid  152 and name    HN )
        4.99  3.19  0.00 peak  831 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  146 and name  HD2# )
        4.91  3.11  0.00 peak  841 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name  HG2# )
       ( resid  148 and name    HN )
        3.95  2.15  0.00 peak  862 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name  HG2# )
       ( resid  151 and name    HN )
        6.00  4.20  0.00 peak  864 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HA )
       ( resid  107 and name  HG2# )
        4.09  2.29  0.00 peak  865 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  147 and name  HG2# )
!       ( resid  151 and name    HB )
!        3.06  1.26  0.00 peak  867 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  152 and name  HG2# )
        5.13  3.33  0.00 peak  875 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HA )
       ( resid  152 and name  HG2# )
        3.45  1.65  0.00 peak  880 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name   HB1 )
       ( resid  146 and name  HD2# )
        3.28  1.48  0.00 peak  884 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name    HZ )
       ( resid  137 and name  HG1# )
        4.31  2.51  0.00 peak  888 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HE# )
       ( resid  137 and name  HG1# )
        4.11  2.31  0.00 peak  889 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HE# )
       ( resid  137 and name  HG2# )
        4.11  2.31  0.00 peak  904 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  151 and name  HG2# )
        5.55  3.75  0.00 peak  918 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HN )
       ( resid  151 and name  HG2# )
        4.92  3.12  0.00 peak  920 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HA )
       ( resid  166 and name  HG1# )
        5.20  3.40  0.00 peak  929 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HN )
       ( resid  166 and name  HG1# )
        3.88  2.08  0.00 peak  932 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  166 and name    HA )
!       ( resid  166 and name  HG1# )
!        3.43  1.63  0.00 peak  933 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  152 and name  HG1# )
        5.13  3.33  0.00 peak  942 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  162 and name    HN )
       ( resid  162 and name   HB# )
        4.09  2.29  0.00 peak  956 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HA )
       ( resid  162 and name   HB# )
        6.00  4.20  0.00 peak  957 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name  HD1# )
       ( resid  162 and name   HB# )
        3.91  2.11  0.00 peak  959 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HA )
       ( resid  140 and name  HG2# )
        3.55  1.75  0.00 peak  965 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HA )
       ( resid  140 and name  HG2# )
        5.52  3.72  0.00 peak  967 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name  HG1# )
       ( resid  161 and name   HG1 )
        6.00  4.20  0.00 peak  974 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name  HG1# )
       ( resid  161 and name   HG2 )
        6.00  4.20  0.00 peak  977 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HN )
       ( resid  159 and name  HD1# )
        5.39  3.59  0.00 peak  990 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  159 and name  HD1# )
!       ( resid  163 and name    HA )
!        6.00  4.20  0.00 peak  991 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name  HG2# )
       ( resid  143 and name    HN )
        5.19  3.39  0.00 peak 1017 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HN )
       ( resid  142 and name  HG2# )
        4.09  2.29  0.00 peak 1021 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name   HB# )
       ( resid  151 and name    HN )
        4.61  2.81  0.00 peak 1032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HE2 )
       ( resid  150 and name   HB# )
        5.27  3.47  0.00 peak 1034 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HE1 )
       ( resid  150 and name   HB# )
        5.27  3.47  0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name   HB# )
       ( resid  151 and name    HB )
        6.00  4.20  0.00 peak 1036 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name    HN )
       ( resid  150 and name   HB# )
        3.44  1.64  0.00 peak 1038 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name   HB# )
       ( resid  153 and name    HN )
        5.44  3.64  0.00 peak 1040 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  139 and name    HN )
!       ( resid  156 and name  HG2# )
!        6.00  4.20  0.00 peak 1045 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  153 and name    HN )
!       ( resid  156 and name  HG2# )
!        6.00  4.20  0.00 peak 1045 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name    HN )
       ( resid  156 and name  HG2# )
        6.00  4.20  0.00 peak 1046 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HG2# )
       ( resid  157 and name    HN )
        6.00  4.20  0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HG2# )
       ( resid  160 and name    HN )
        6.00  4.20  0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HA )
       ( resid  156 and name  HG2# )
        6.00  4.20  0.00 peak 1051 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HG2# )
       ( resid  157 and name    HA )
        6.00  4.20  0.00 peak 1051 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  142 and name    HB )
!       ( resid  156 and name  HG2# )
!        6.00  4.20  0.00 peak 1053 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HA )
       ( resid  156 and name  HG2# )
        6.00  4.20  0.00 peak 1055 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  125 and name    HN )
       ( resid  129 and name   HB# )
        3.80  2.00  0.00 peak 1056 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name   HB1 )
       ( resid  129 and name   HB# )
        5.10  3.30  0.00 peak 1060 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name    HN )
       ( resid  129 and name   HB# )
        3.86  2.06  0.00 peak 1064 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HA )
       ( resid  129 and name   HB# )
        4.23  2.43  0.00 peak 1067 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HG2# )
       ( resid  129 and name   HB# )
        5.40  3.60  0.00 peak 1073 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HG2# )
       ( resid  128 and name    HN )
        6.00  4.20  0.00 peak 1078 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HN )
       ( resid  127 and name  HG2# )
        6.00  4.20  0.00 peak 1084 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG2# )
       ( resid  118 and name  HG1# )
        3.35  1.55  0.00 peak 1087 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name    HN )
       ( resid  118 and name  HG2# )
        5.06  3.26  0.00 peak 1088 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HN )
       ( resid  118 and name  HG2# )
        4.43  2.63  0.00 peak 1089 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG2# )
       ( resid  119 and name    HN )
        4.72  2.92  0.00 peak 1090 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name    HA )
       ( resid  118 and name  HG2# )
        5.28  3.48  0.00 peak 1091 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HA )
       ( resid  118 and name  HG2# )
        3.81  2.01  0.00 peak 1092 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG2# )
       ( resid  118 and name  HG1# )
        3.19  1.39  0.00 peak 1095 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG2# )
       ( resid  129 and name   HB# )
        3.62  1.82  0.00 peak 1096 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG2# )
       ( resid  114 and name    HN )
        6.00  4.20  0.00 peak 1114 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG2# )
       ( resid  162 and name    HA )
        4.50  2.70  0.00 peak 1116 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HA )
       ( resid  111 and name  HG2# )
        4.13  2.33  0.00 peak 1117 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG2# )
       ( resid  162 and name   HB# )
        3.41  1.61  0.00 peak 1120 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HD1# )
       ( resid  162 and name    HA )
        4.49  2.69  0.00 peak 1125 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HA )
       ( resid  111 and name  HD1# )
        6.00  4.20  0.00 peak 1126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HB )
       ( resid  111 and name  HD1# )
        2.98  1.18  0.00 peak 1130 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HD1# )
       ( resid  162 and name   HB# )
        3.56  1.76  0.00 peak 1132 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HN )
       ( resid  118 and name  HD1# )
        4.99  3.19  0.00 peak 1135 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HD1# )
       ( resid  119 and name    HA )
        6.00  4.20  0.00 peak 1136 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HD1# )
       ( resid  129 and name   HB# )
        4.55  2.75  0.00 peak 1137 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name    HA )
       ( resid  118 and name  HD1# )
        3.94  2.14  0.00 peak 1139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HA )
       ( resid  118 and name  HD1# )
        4.49  2.69  0.00 peak 1140 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name    HN )
       ( resid  156 and name  HD1# )
        5.19  3.39  0.00 peak 1146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name    HA )
       ( resid  156 and name  HD1# )
        6.00  4.20  0.00 peak 1148 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HB )
       ( resid  156 and name  HD1# )
        5.86  4.06  0.00 peak 1149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name    HB )
       ( resid  156 and name  HD1# )
        3.48  1.68  0.00 peak 1150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  167 and name    HN )
        6.00  4.20  0.00 peak 1153 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  171 and name    HN )
        4.98  3.18  0.00 peak 1154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HN )
       ( resid  127 and name  HD1# )
        5.00  3.20  0.00 peak 1155 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  163 and name   HE# )
        6.00  4.20  0.00 peak 1156 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HB )
       ( resid  127 and name  HD1# )
        3.28  1.48  0.00 peak 1161 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HA )
       ( resid  124 and name   HB2 )
        6.00  4.20  0.00 peak 1179 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name  HG2# )
       ( resid  161 and name   HG1 )
        6.00  4.20  0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HN )
       ( resid  141 and name    HG )
        6.00  4.20  0.00 peak 1211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name  HD2# )
       ( resid  162 and name   HB# )
        3.91  2.11  0.00 peak 1213 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HD# )
       ( resid  159 and name  HD2# )
        6.00  4.20  0.00 peak 1215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name  HG2# )
       ( resid  151 and name  HG2# )
        2.79  0.99  0.00 peak 1218 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name  HG2# )
       ( resid  151 and name  HG1# )
        2.79  0.99  0.00 peak 1219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG1# )
       ( resid  129 and name   HB# )
        5.35  3.55  0.00 peak 1227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name   HB# )
       ( resid  166 and name    HB )
        5.61  3.81  0.00 peak 1227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name    HA )
       ( resid  120 and name   HE# )
        4.71  2.91  0.00 peak 1231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  119 and name    HN )
       ( resid  120 and name   HE# )
        5.85  4.05  0.00 peak 1233 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name    HN )
       ( resid  120 and name   HE# )
        6.00  4.20  0.00 peak 1234 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  156 and name  HD1# )
!       ( resid  160 and name    HN )
!        6.00  4.20  0.00 peak 1243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  103 and name    HA )
       ( resid  104 and name    HN )
        3.44  1.64  0.00 peak   45 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HN )
       ( resid  104 and name    HG )
        4.88  3.08  0.00 peak   48 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HN )
       ( resid  104 and name  HD1# )
        6.00  4.20  0.00 peak   51 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  151 and name    HN )
        6.00  4.20  0.00 peak   59 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HN )
       ( resid  148 and name    HN )
        5.37  3.57  0.00 peak   66 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HA )
       ( resid  148 and name    HN )
        3.28  1.48  0.00 peak   67 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HB )
       ( resid  148 and name    HN )
        6.00  4.20  0.00 peak   72 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  151 and name  HG1# )
        5.55  3.75  0.00 peak   73 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  125 and name   HB1 )
       ( resid  126 and name    HN )
        4.39  2.59  0.00 peak   80 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HN )
       ( resid  126 and name   HB1 )
        4.06  2.26  0.00 peak   82 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HN )
       ( resid  126 and name   HG1 )
        5.14  3.34  0.00 peak   83 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HN )
       ( resid  126 and name   HG2 )
        5.14  3.34  0.00 peak   83 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name    HN )
       ( resid  146 and name    HG )
        6.00  4.20  0.00 peak   86 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  145 and name    HN )
!       ( resid  147 and name    HN )
!        4.83  3.03  0.00 peak   89 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  115 and name    HA )
        5.96  4.16  0.00 peak   96 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  112 and name    HN )
       ( resid  114 and name    HN )
        5.65  3.85  0.00 peak  101 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  116 and name    HN )
        5.85  4.05  0.00 peak  101 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  114 and name    HG )
        3.83  2.03  0.00 peak  107 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  114 and name  HD2# )
        3.96  2.16  0.00 peak  108 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  114 and name  HD1# )
        3.96  2.16  0.00 peak  109 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  133 and name   HE# )
        6.00  4.20  0.00 peak  110 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HA )
       ( resid  129 and name    HN )
        4.98  3.18  0.00 peak  112 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  129 and name    HN )
!       ( resid  130 and name   HE# )
!        6.00  4.20  0.00 peak  113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  128 and name    HN )
       ( resid  129 and name    HN )
        4.15  2.35  0.00 peak  115 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  125 and name   HB2 )
       ( resid  129 and name    HN )
        4.46  2.66  0.00 peak  119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name    HN )
       ( resid  131 and name    HN )
        6.00  4.20  0.00 peak  122 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HN )
       ( resid  129 and name    HN )
        5.65  3.85  0.00 peak  123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HB )
       ( resid  129 and name    HN )
        6.00  4.20  0.00 peak  125 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HG2# )
       ( resid  129 and name    HN )
        6.00  4.20  0.00 peak  126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HN )
       ( resid  159 and name  HD1# )
        4.98  3.18  0.00 peak  133 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HN )
       ( resid  159 and name  HD2# )
        4.98  3.18  0.00 peak  134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HD1# )
       ( resid  159 and name    HN )
        6.00  4.20  0.00 peak  139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name    HB )
       ( resid  159 and name    HN )
        6.00  4.20  0.00 peak  140 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  171 and name    HA )
       ( resid  172 and name    HN )
        3.07  1.27  0.00 peak  144 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HN )
       ( resid  174 and name   HG1 )
        6.00  4.20  0.00 peak  147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HN )
       ( resid  174 and name   HG2 )
        6.00  4.20  0.00 peak  147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HN )
       ( resid  172 and name   HB2 )
        4.02  2.22  0.00 peak  149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  162 and name    HA )
        5.83  4.03  0.00 peak  154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  162 and name   HB# )
        4.38  2.58  0.00 peak  157 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  111 and name  HD1# )
        4.03  2.23  0.00 peak  158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  113 and name    HN )
        6.00  4.20  0.00 peak  161 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  111 and name    HB )
        3.37  1.57  0.00 peak  162 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  125 and name    HN )
       ( resid  128 and name    HN )
        6.00  4.20  0.00 peak  170 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HA )
       ( resid  141 and name    HN )
        6.00  4.20  0.00 peak  173 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  125 and name    HN )
!       ( resid  125 and name   HB1 )
!        3.39  1.59  0.00 peak  175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name   HB2 )
       ( resid  125 and name    HN )
        3.75  1.95  0.00 peak  176 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  172 and name    HN )
!       ( resid  173 and name    HN )
!        3.54  1.74  0.00 peak  178 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  132 and name    HN )
       ( resid  133 and name    HN )
        3.91  2.11  0.00 peak  186 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name    HN )
       ( resid  133 and name   HD# )
        4.91  3.11  0.00 peak  187 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name    HN )
       ( resid  133 and name   HB1 )
        3.88  2.08  0.00 peak  188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HA )
       ( resid  133 and name    HN )
        4.44  2.64  0.00 peak  189 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name    HN )
       ( resid  133 and name   HB2 )
        3.88  2.08  0.00 peak  190 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HN )
       ( resid  150 and name    HA )
        5.70  3.90  0.00 peak  194 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  149 and name    HN )
        4.56  2.76  0.00 peak  196 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HA )
       ( resid  149 and name    HN )
        3.11  1.31  0.00 peak  198 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HN )
       ( resid  149 and name   HB1 )
        4.14  2.34  0.00 peak  200 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HN )
       ( resid  149 and name   HB2 )
        4.14  2.34  0.00 peak  201 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  111 and name  HG2# )
        4.12  2.32  0.00 peak  205 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  102 and name   HB1 )
       ( resid  103 and name    HN )
        5.08  3.28  0.00 peak  206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  103 and name    HN )
       ( resid  104 and name    HN )
        6.00  4.20  0.00 peak  207 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  102 and name   HB2 )
       ( resid  103 and name    HN )
        5.08  3.28  0.00 peak  209 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HN )
       ( resid  141 and name    HN )
        3.76  1.96  0.00 peak  212 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  114 and name    HA )
!       ( resid  125 and name    HN )
!        6.00  4.20  0.00 peak  216 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name  HG2# )
       ( resid  141 and name    HN )
        4.55  2.75  0.00 peak  219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HN )
       ( resid  142 and name    HN )
        3.55  1.75  0.00 peak  222 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HE# )
       ( resid  137 and name    HN )
        6.00  4.20  0.00 peak  226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HD# )
       ( resid  137 and name    HN )
        6.00  4.20  0.00 peak  226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HN )
       ( resid  137 and name    HB )
        3.77  1.97  0.00 peak  231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HN )
       ( resid  159 and name  HD2# )
        5.39  3.59  0.00 peak  235 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name    HN )
       ( resid  137 and name    HN )
        6.00  4.20  0.00 peak  236 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name   HB# )
       ( resid  133 and name    HN )
        6.00  4.20  0.00 peak  237 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  114 and name  HD2# )
!       ( resid  162 and name    HN )
!        6.00  4.20  0.00 peak  250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name    HN )
       ( resid  125 and name    HN )
        4.41  2.61  0.00 peak  259 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  123 and name    HN )
       ( resid  124 and name    HN )
        3.39  1.59  0.00 peak  260 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name    HN )
       ( resid  124 and name   HB2 )
        3.59  1.79  0.00 peak  264 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HA )
       ( resid  124 and name    HN )
        6.00  4.20  0.00 peak  267 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  174 and name    HN )
!       ( resid  175 and name    HN )
!        3.61  1.81  0.00 peak  268 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HA )
       ( resid  174 and name    HN )
        3.22  1.42  0.00 peak  269 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name    HN )
       ( resid  111 and name    HN )
        4.31  2.51  0.00 peak  274 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  109 and name   HD# )
       ( resid  110 and name    HN )
        4.68  2.88  0.00 peak  275 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  109 and name    HN )
       ( resid  110 and name    HN )
        4.24  2.44  0.00 peak  278 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  109 and name   HE# )
!       ( resid  110 and name    HN )
!        4.92  3.12  0.00 peak  279 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  165 and name    HN )
       ( resid  167 and name    HN )
        4.71  2.91  0.00 peak  282 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HN )
       ( resid  168 and name    HN )
        3.61  1.81  0.00 peak  283 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  167 and name    HN )
!       ( resid  167 and name   HB1 )
!        2.88  1.08  0.00 peak  288 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HN )
       ( resid  167 and name   HB2 )
        3.66  1.86  0.00 peak  289 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name    HA )
       ( resid  110 and name    HN )
        4.85  3.05  0.00 peak  292 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HN )
       ( resid  160 and name    HN )
        3.82  2.02  0.00 peak  295 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name  HD1# )
       ( resid  160 and name    HN )
        6.00  4.20  0.00 peak  297 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  159 and name   HB2 )
!       ( resid  160 and name    HN )
!        3.28  1.48  0.00 peak  302 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HN )
       ( resid  167 and name   HG1 )
        4.66  2.86  0.00 peak  303 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HN )
       ( resid  166 and name  HG2# )
        3.70  1.90  0.00 peak  304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HN )
       ( resid  166 and name  HG1# )
        3.70  1.90  0.00 peak  305 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  153 and name    HA )
        6.00  4.20  0.00 peak  313 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name  HD2# )
       ( resid  160 and name    HN )
        6.00  4.20  0.00 peak  318 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  145 and name    HN )
!       ( resid  146 and name    HN )
!        3.61  1.81  0.00 peak  324 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  147 and name    HB )
        5.29  3.49  0.00 peak  326 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  165 and name    HN )
       ( resid  166 and name    HN )
        3.41  1.61  0.00 peak  334 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HN )
       ( resid  125 and name    HN )
        6.00  4.20  0.00 peak  342 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HN )
       ( resid  141 and name    HN )
        6.00  4.20  0.00 peak  342 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HN )
       ( resid  138 and name    HN )
        3.55  1.75  0.00 peak  343 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HN )
       ( resid  139 and name    HN )
        3.87  2.07  0.00 peak  343 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HN )
       ( resid  140 and name    HN )
        5.93  4.13  0.00 peak  344 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name    HA )
       ( resid  118 and name    HN )
        4.44  2.64  0.00 peak  345 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name  HG2# )
       ( resid  138 and name    HN )
        4.63  2.83  0.00 peak  351 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HE# )
       ( resid  138 and name    HN )
        6.00  4.20  0.00 peak  352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HD# )
       ( resid  138 and name    HN )
        6.00  4.20  0.00 peak  352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HE# )
       ( resid  138 and name    HN )
        6.00  4.20  0.00 peak  353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HB )
       ( resid  138 and name    HN )
        4.58  2.78  0.00 peak  354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HA )
       ( resid  152 and name    HN )
        4.98  3.18  0.00 peak  356 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  152 and name    HB )
        3.70  1.90  0.00 peak  357 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  169 and name    HN )
       ( resid  170 and name    HN )
        3.33  1.53  0.00 peak  362 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HN )
       ( resid  170 and name    HN )
        4.88  3.08  0.00 peak  363 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HA )
       ( resid  170 and name    HN )
        4.29  2.49  0.00 peak  368 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  170 and name    HN )
        5.25  3.45  0.00 peak  373 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HN )
       ( resid  140 and name    HB )
        6.00  4.20  0.00 peak  374 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HN )
       ( resid  129 and name   HB# )
        4.93  3.13  0.00 peak  378 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HN )
       ( resid  118 and name  HG1# )
        3.55  1.75  0.00 peak  380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name  HG1# )
       ( resid  138 and name    HN )
        4.63  2.83  0.00 peak  382 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HN )
       ( resid  107 and name    HB )
        4.07  2.27  0.00 peak  387 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HN )
       ( resid  107 and name  HG1# )
        4.85  3.05  0.00 peak  389 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HN )
       ( resid  110 and name    HN )
        6.00  4.20  0.00 peak  390 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name    HN )
       ( resid  136 and name    HN )
        6.00  4.20  0.00 peak  396 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name    HN )
       ( resid  134 and name    HN )
        3.85  2.05  0.00 peak  398 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name    HN )
       ( resid  135 and name    HN )
        4.15  2.35  0.00 peak  398 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  132 and name    HN )
       ( resid  134 and name    HN )
        6.00  4.20  0.00 peak  407 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name    HN )
       ( resid  157 and name    HN )
        4.26  2.46  0.00 peak  411 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HA )
       ( resid  157 and name    HN )
        4.49  2.69  0.00 peak  412 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  155 and name    HA )
       ( resid  157 and name    HN )
        4.84  3.04  0.00 peak  412 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HD1# )
       ( resid  157 and name    HN )
        4.52  2.72  0.00 peak  414 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name    HN )
       ( resid  151 and name    HA )
        6.00  4.20  0.00 peak  417 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HA )
       ( resid  134 and name    HN )
        3.89  2.09  0.00 peak  418 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  147 and name    HN )
        3.23  1.43  0.00 peak  420 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HA )
       ( resid  147 and name    HN )
        3.55  1.75  0.00 peak  421 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HN )
       ( resid  147 and name    HB )
        3.74  1.94  0.00 peak  423 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HN )
       ( resid  147 and name  HG2# )
        4.21  2.41  0.00 peak  425 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HN )
       ( resid  151 and name  HG1# )
        4.92  3.12  0.00 peak  426 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HN )
       ( resid  150 and name    HN )
        4.18  2.38  0.00 peak  427 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name    HN )
       ( resid  152 and name    HN )
        4.98  3.18  0.00 peak  428 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name    HN )
       ( resid  151 and name    HN )
        3.87  2.07  0.00 peak  429 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name  HG2# )
       ( resid  150 and name    HN )
        6.00  4.20  0.00 peak  442 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  174 and name    HA )
       ( resid  175 and name    HN )
        3.37  1.57  0.00 peak  447 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  147 and name    HN )
!       ( resid  151 and name    HA )
!        6.00  4.20  0.00 peak  451 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  144 and name    HN )
       ( resid  145 and name    HN )
        4.68  2.88  0.00 peak  453 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name  HG2# )
       ( resid  144 and name    HN )
        6.00  4.20  0.00 peak  458 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HN )
       ( resid  144 and name    HN )
        5.16  3.36  0.00 peak  460 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HA )
       ( resid  144 and name    HN )
        5.42  3.62  0.00 peak  462 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HB )
       ( resid  144 and name    HN )
        5.64  3.84  0.00 peak  464 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  125 and name    HA )
!       ( resid  128 and name    HN )
!        4.64  2.84  0.00 peak  468 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  125 and name   HB2 )
       ( resid  128 and name    HN )
        3.71  1.91  0.00 peak  469 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HN )
       ( resid  122 and name    HN )
        3.90  2.10  0.00 peak  471 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  120 and name    HN )
!       ( resid  121 and name    HN )
!        3.26  1.46  0.00 peak  472 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HN )
       ( resid  122 and name    HA )
        4.48  2.68  0.00 peak  476 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG2 )
       ( resid  121 and name    HN )
        5.17  3.37  0.00 peak  483 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HN )
       ( resid  154 and name    HN )
        3.79  1.99  0.00 peak  486 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HN )
       ( resid  155 and name    HN )
        4.11  2.31  0.00 peak  486 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  154 and name    HN )
        4.42  2.62  0.00 peak  487 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HN )
       ( resid  156 and name    HN )
        5.09  3.29  0.00 peak  487 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HA )
       ( resid  154 and name    HN )
        4.33  2.53  0.00 peak  488 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HN )
       ( resid  154 and name    HN )
        6.00  4.20  0.00 peak  491 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HE# )
       ( resid  163 and name    HN )
        6.00  4.20  0.00 peak  495 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  162 and name    HN )
       ( resid  163 and name    HN )
        3.73  1.93  0.00 peak  497 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  162 and name   HB# )
       ( resid  163 and name    HN )
        4.21  2.41  0.00 peak  502 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HD1# )
       ( resid  163 and name    HN )
        5.65  3.85  0.00 peak  505 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HG )
       ( resid  163 and name    HN )
        6.00  4.20  0.00 peak  505 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name    HN )
       ( resid  166 and name    HB )
        6.00  4.20  0.00 peak  508 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HD# )
       ( resid  163 and name    HN )
        5.78  3.98  0.00 peak  509 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  161 and name    HA )
       ( resid  163 and name    HN )
        6.00  4.20  0.00 peak  510 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name    HN )
       ( resid  164 and name    HA )
        6.00  4.20  0.00 peak  510 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  161 and name    HN )
       ( resid  162 and name    HA )
        6.00  4.20  0.00 peak  514 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name    HN )
       ( resid  124 and name    HN )
        4.71  2.91  0.00 peak  517 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HA )
       ( resid  122 and name    HN )
        3.42  1.62  0.00 peak  519 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name    HA )
       ( resid  122 and name    HN )
        6.00  4.20  0.00 peak  521 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HN )
       ( resid  157 and name    HN )
        5.82  4.02  0.00 peak  535 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HN )
       ( resid  161 and name    HN )
        6.00  4.20  0.00 peak  540 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HD1# )
       ( resid  161 and name    HN )
        5.89  4.09  0.00 peak  543 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  106 and name    HN )
!       ( resid  109 and name    HN )
!        4.07  2.27  0.00 peak  545 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  109 and name    HN )
       ( resid  109 and name   HD# )
        5.30  3.50  0.00 peak  546 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HA )
       ( resid  109 and name    HN )
        3.73  1.93  0.00 peak  550 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HB )
       ( resid  109 and name    HN )
        4.79  2.99  0.00 peak  554 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  104 and name    HA )
!       ( resid  109 and name    HN )
!        6.00  4.20  0.00 peak  558 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HN )
       ( resid  133 and name   HD# )
        6.00  4.20  0.00 peak  560 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HN )
       ( resid  127 and name    HN )
        3.81  2.01  0.00 peak  564 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HN )
       ( resid  128 and name    HN )
        3.96  2.16  0.00 peak  566 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  125 and name    HA )
!       ( resid  127 and name    HN )
!        4.86  3.06  0.00 peak  567 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name   HG1 )
       ( resid  127 and name    HN )
        5.13  3.33  0.00 peak  572 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name   HG2 )
       ( resid  127 and name    HN )
        5.13  3.33  0.00 peak  572 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HN )
       ( resid  127 and name  HG2# )
        3.91  2.11  0.00 peak  573 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name    HN )
       ( resid  116 and name    HN )
        3.39  1.59  0.00 peak  576 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name    HN )
       ( resid  130 and name    HN )
        3.64  1.84  0.00 peak  583 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG2# )
       ( resid  130 and name    HN )
        5.68  3.88  0.00 peak  592 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  128 and name    HN )
       ( resid  130 and name    HN )
        5.61  3.81  0.00 peak  594 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  155 and name    HN )
       ( resid  158 and name    HN )
        5.64  3.84  0.00 peak  595 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  158 and name    HN )
       ( resid  159 and name    HN )
        3.73  1.93  0.00 peak  596 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HN )
       ( resid  166 and name    HB )
        4.48  2.68  0.00 peak  600 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  158 and name    HN )
       ( resid  159 and name   HB2 )
        4.80  3.00  0.00 peak  601 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HG2# )
       ( resid  130 and name    HN )
        6.00  4.20  0.00 peak  605 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  127 and name  HD1# )
!       ( resid  130 and name    HN )
!        6.00  4.20  0.00 peak  605 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HD1# )
       ( resid  158 and name    HN )
        6.00  4.20  0.00 peak  606 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name    HA )
       ( resid  112 and name    HN )
        4.13  2.33  0.00 peak  610 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HB )
       ( resid  112 and name    HN )
        3.02  1.22  0.00 peak  612 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HN )
       ( resid  143 and name    HN )
        5.54  3.74  0.00 peak  616 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HN )
       ( resid  143 and name    HN )
        3.93  2.13  0.00 peak  617 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  143 and name    HN )
       ( resid  144 and name    HN )
        3.37  1.57  0.00 peak  619 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HA )
       ( resid  143 and name    HN )
        4.56  2.76  0.00 peak  621 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HB )
       ( resid  143 and name    HN )
        4.21  2.41  0.00 peak  624 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name  HG2# )
       ( resid  143 and name    HN )
        6.00  4.20  0.00 peak  626 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name  HG1# )
       ( resid  143 and name    HN )
        5.19  3.39  0.00 peak  627 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  131 and name    HN )
       ( resid  133 and name    HN )
        6.00  4.20  0.00 peak  629 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  131 and name    HN )
!       ( resid  134 and name   HD# )
!        5.68  3.88  0.00 peak  631 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name   HE# )
       ( resid  131 and name    HN )
        5.73  3.93  0.00 peak  636 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name   HB# )
       ( resid  131 and name    HN )
        6.00  4.20  0.00 peak  637 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HN )
       ( resid  131 and name    HN )
        4.01  2.21  0.00 peak  638 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HG2# )
       ( resid  131 and name    HN )
        5.86  4.06  0.00 peak  643 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name    HN )
       ( resid  112 and name    HN )
        5.63  3.83  0.00 peak  647 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  155 and name    HN )
       ( resid  157 and name    HN )
        6.00  4.20  0.00 peak  653 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  155 and name    HN )
       ( resid  156 and name    HN )
        3.65  1.85  0.00 peak  654 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  135 and name    HN )
       ( resid  136 and name    HN )
        4.08  2.28  0.00 peak  660 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HN )
       ( resid  119 and name    HN )
        3.54  1.74  0.00 peak  664 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HA )
       ( resid  156 and name    HN )
        4.51  2.71  0.00 peak  675 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HA )
       ( resid  156 and name    HN )
        5.38  3.58  0.00 peak  677 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name    HN )
       ( resid  164 and name    HN )
        4.25  2.45  0.00 peak  682 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  164 and name    HN )
       ( resid  168 and name    HN )
        6.00  4.20  0.00 peak  683 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name   HE# )
       ( resid  164 and name    HN )
        4.38  2.58  0.00 peak  685 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HD1# )
       ( resid  164 and name    HN )
        6.00  4.20  0.00 peak  690 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  112 and name    HN )
        4.10  2.30  0.00 peak  692 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG2# )
       ( resid  112 and name    HN )
        3.79  1.99  0.00 peak  693 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HA )
       ( resid  155 and name    HN )
        4.36  2.56  0.00 peak  696 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  113 and name    HN )
       ( resid  133 and name   HE# )
        5.63  3.83  0.00 peak  702 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HN )
       ( resid  152 and name    HN )
        4.13  2.33  0.00 peak  707 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HA )
       ( resid  151 and name    HN )
        5.24  3.44  0.00 peak  708 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HN )
       ( resid  151 and name  HG2# )
        3.87  2.07  0.00 peak  713 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HN )
       ( resid  151 and name  HG1# )
        3.87  2.07  0.00 peak  714 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HN )
       ( resid  153 and name    HN )
        5.25  3.45  0.00 peak  716 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name    HN )
       ( resid  118 and name  HD1# )
        4.40  2.60  0.00 peak  720 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  115 and name    HN )
        4.24  2.44  0.00 peak  721 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  114 and name    HG )
!       ( resid  115 and name    HN )
!        3.33  1.53  0.00 peak  727 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HA )
       ( resid  115 and name    HN )
        5.52  3.72  0.00 peak  729 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name    HN )
       ( resid  119 and name    HN )
        4.01  2.21  0.00 peak  732 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG2# )
       ( resid  113 and name    HN )
        6.00  4.20  0.00 peak  733 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  113 and name    HN )
       ( resid  114 and name    HN )
        4.08  2.28  0.00 peak  736 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  112 and name    HN )
       ( resid  113 and name    HN )
        3.37  1.57  0.00 peak  737 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  113 and name    HN )
       ( resid  115 and name    HN )
        5.01  3.21  0.00 peak  747 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  170 and name   HB1 )
       ( resid  171 and name    HN )
        4.13  2.33  0.00 peak  760 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HN )
       ( resid  132 and name    HN )
        4.48  2.68  0.00 peak  764 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  131 and name    HN )
       ( resid  132 and name    HN )
        4.39  2.59  0.00 peak  769 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  168 and name    HN )
        6.00  4.20  0.00 peak  775 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  153 and name    HN )
        4.08  2.28  0.00 peak  777 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HA )
       ( resid  153 and name    HN )
        5.24  3.44  0.00 peak  780 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HN )
       ( resid  156 and name    HB )
        6.00  4.20  0.00 peak  787 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  164 and name    HA )
       ( resid  168 and name    HN )
        4.04  2.24  0.00 peak  790 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  168 and name    HN )
!       ( resid  168 and name   HB1 )
!        3.02  1.22  0.00 peak  794 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  167 and name   HB1 )
!       ( resid  168 and name    HN )
!        3.24  1.44  0.00 peak  795 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name   HB2 )
       ( resid  168 and name    HN )
        4.15  2.35  0.00 peak  796 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name   HG1 )
       ( resid  168 and name    HN )
        4.52  2.72  0.00 peak  797 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HA )
       ( resid  168 and name    HN )
        6.00  4.20  0.00 peak  798 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HN )
       ( resid  170 and name   HG1 )
        6.00  4.20  0.00 peak  800 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HN )
       ( resid  170 and name   HG2 )
        6.00  4.20  0.00 peak  801 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name    HN )
       ( resid  120 and name    HN )
        6.00  4.20  0.00 peak  803 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HN )
       ( resid  120 and name    HN )
        5.93  4.13  0.00 peak  806 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  120 and name    HN )
       ( resid  121 and name    HA )
        6.00  4.20  0.00 peak  811 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  106 and name    HN )
       ( resid  107 and name    HN )
        6.00  4.20  0.00 peak  840 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  123 and name    HN )
!       ( resid  125 and name    HN )
!        4.56  2.76  0.00 peak  845 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HA )
       ( resid  123 and name    HN )
        4.54  2.74  0.00 peak  847 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name    HA )
       ( resid  123 and name    HN )
        3.55  1.75  0.00 peak  849 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name   HB1 )
       ( resid  123 and name    HN )
        4.16  2.36  0.00 peak  852 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  123 and name    HN )
       ( resid  124 and name   HB2 )
        4.22  2.42  0.00 peak  853 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  123 and name    HN )
       ( resid  124 and name    HA )
        5.60  3.80  0.00 peak  854 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HA )
       ( resid  106 and name    HN )
        6.00  4.20  0.00 peak  857 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HN )
       ( resid  106 and name    HN )
        6.00  4.20  0.00 peak  859 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HN )
       ( resid  142 and name    HN )
        5.53  3.73  0.00 peak  875 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HN )
       ( resid  140 and name  HG2# )
        3.99  2.19  0.00 peak  877 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  136 and name    HN )
       ( resid  138 and name    HN )
        5.92  4.12  0.00 peak  894 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  136 and name    HN )
       ( resid  137 and name    HN )
        3.70  1.90  0.00 peak  895 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name    HN )
       ( resid  140 and name    HN )
        3.98  2.18  0.00 peak  895 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name    HN )
       ( resid  140 and name    HB )
        6.00  4.20  0.00 peak  986 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name    HN )
       ( resid  141 and name    HN )
        6.00  4.20  0.00 peak  988 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name    HN )
       ( resid  142 and name    HB )
        5.60  3.80  0.00 peak  994 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name  HG2# )
       ( resid  142 and name    HN )
        6.00  4.20  0.00 peak 1008 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HN )
       ( resid  142 and name  HG1# )
        4.09  2.29  0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HN )
       ( resid  169 and name    HN )
        2.93  1.13  0.00 peak 1023 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name   HB1 )
       ( resid  169 and name    HN )
        3.52  1.72  0.00 peak 1026 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name   HG1 )
       ( resid  169 and name    HN )
        6.00  4.20  0.00 peak 1027 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HD1# )
       ( resid  169 and name    HN )
        6.00  4.20  0.00 peak 1028 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  169 and name    HN )
        6.00  4.20  0.00 peak 1028 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HN )
       ( resid  169 and name    HN )
        5.15  3.35  0.00 peak 1029 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  169 and name    HN )
       ( resid  170 and name    HA )
        5.04  3.24  0.00 peak 1032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name    HA )
       ( resid  111 and name    HN )
        4.27  2.47  0.00 peak 1037 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name   HD# )
       ( resid  164 and name    HN )
        4.23  2.43  0.00 peak   37 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name    HN )
       ( resid  163 and name   HD# )
        4.56  2.76  0.00 peak   45 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name    HZ )
       ( resid  137 and name  HG2# )
        4.31  2.51  0.00 peak   54 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name    HN )
       ( resid  134 and name   HD# )
        4.87  3.07  0.00 peak   59 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HD# )
       ( resid  163 and name    HA )
        4.43  2.63  0.00 peak   61 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name    HA )
       ( resid  134 and name   HD# )
        4.44  2.64  0.00 peak   62 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HD# )
       ( resid  159 and name  HD1# )
        6.00  4.20  0.00 peak   64 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  109 and name   HD# )
       ( resid  110 and name   HE# )
        4.69  2.89  0.00 peak   68 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HA )
       ( resid  109 and name   HD# )
        5.06  3.26  0.00 peak   72 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name  HD2# )
       ( resid  109 and name   HD# )
        5.59  3.79  0.00 peak   73 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HN )
       ( resid  109 and name   HD# )
        5.00  3.20  0.00 peak   74 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  109 and name   HD# )
       ( resid  110 and name    HZ )
        6.00  4.20  0.00 peak   75 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HD# )
       ( resid  134 and name    HN )
        4.36  2.56  0.00 peak   77 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HG )
       ( resid  133 and name   HD# )
        6.00  4.20  0.00 peak   82 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HD# )
       ( resid  162 and name   HB# )
        6.00  4.20  0.00 peak   82 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HE# )
       ( resid  110 and name   HD# )
        3.15  1.35  0.00 peak   93 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  110 and name   HD# )
!       ( resid  159 and name    HA )
!        3.44  1.64  0.00 peak   95 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  109 and name   HE# )
       ( resid  110 and name   HD# )
        5.15  3.35  0.00 peak   97 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HD# )
       ( resid  133 and name   HE# )
        5.32  3.52  0.00 peak   97 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HD# )
       ( resid  137 and name    HB )
        6.00  4.20  0.00 peak   98 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HD# )
       ( resid  159 and name   HB2 )
        6.00  4.20  0.00 peak   98 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HN )
       ( resid  109 and name   HE# )
        5.26  3.46  0.00 peak  168 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  109 and name   HE# )
       ( resid  110 and name   HE# )
        4.70  2.90  0.00 peak  169 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HA )
       ( resid  109 and name   HE# )
        4.82  3.02  0.00 peak  173 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  109 and name   HE# )
!       ( resid  110 and name    HZ )
!        4.37  2.57  0.00 peak  174 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HE# )
       ( resid  159 and name    HG )
        4.78  2.98  0.00 peak  180 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HG )
       ( resid  133 and name   HE# )
        4.77  2.97  0.00 peak  183 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HE# )
       ( resid  134 and name    HN )
        5.84  4.04  0.00 peak  188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name    HN )
       ( resid  163 and name   HE# )
        6.00  4.20  0.00 peak  202 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name   HE# )
       ( resid  163 and name   HD# )
        2.93  1.13  0.00 peak  204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name   HE# )
       ( resid  167 and name   HG1 )
        3.95  2.15  0.00 peak  210 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HE# )
       ( resid  160 and name    HN )
        5.40  3.60  0.00 peak  214 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HE# )
       ( resid  134 and name   HD# )
        3.07  1.27  0.00 peak  215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name    HA )
       ( resid  134 and name   HE# )
        5.41  3.61  0.00 peak  217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  102 and name   HB# )
       ( resid  103 and name    HN )
        4.45  2.65  0.00 peak  206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  103 and name    HA )
       ( resid  104 and name   HB# )
        4.47  2.67  0.00 peak  282 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  103 and name   HG# )
       ( resid  104 and name    HN )
        5.84  3.98  0.00 peak  429 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  103 and name   HG# )
       ( resid  104 and name   HD# )
        5.79  3.99  0.00 peak  825 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HN )
       ( resid  104 and name   HB# )
        3.57  1.77  0.00 peak   47 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HN )
       ( resid  104 and name   HD# )
        4.50  2.70  0.00 peak   51 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name    HA )
       ( resid  104 and name   HD# )
        3.68  1.88  0.00 peak  824 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name   HB# )
       ( resid  104 and name   HD# )
        2.80  1.00  0.00 peak 1185 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name   HD# )
       ( resid  109 and name   HE# )
        4.06  2.26  0.00 peak  822 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name   HD# )
       ( resid  109 and name   HD# )
        4.37  2.57  0.00 peak   73 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  104 and name   HD# )
       ( resid  110 and name   HE# )
        4.15  2.35  0.00 peak  820 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  106 and name    HN )
!       ( resid  109 and name   HB# )
!        3.65  1.85  0.00 peak  861 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name    HN )
       ( resid  107 and name   HG# )
        4.20  2.40  0.00 peak  829 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name   HG# )
       ( resid  110 and name    HN )
        5.69  3.89  0.00 peak 1005 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name   HG# )
       ( resid  161 and name    HN )
        5.92  4.12  0.00 peak 1006 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name   HG# )
       ( resid  161 and name   HG# )
        3.63  1.83  0.00 peak  977 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  107 and name   HG# )
       ( resid  162 and name    HN )
        5.92  4.12  0.00 peak 1006 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name   HB# )
       ( resid  109 and name    HN )
        4.11  2.31  0.00 peak  555 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name   HB# )
       ( resid  111 and name    HN )
        5.50  3.70  0.00 peak  163 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  108 and name   HB# )
       ( resid  111 and name  HG2# )
        5.14  3.34  0.00 peak 1113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HB# )
       ( resid  137 and name   HG# )
        5.18  3.38  0.00 peak  860 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HB# )
       ( resid  159 and name   HD# )
        4.40  2.60  0.00 peak  993 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HB# )
       ( resid  162 and name    HN )
        5.81  4.01  0.00 peak  252 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HB# )
       ( resid  162 and name   HB# )
        4.94  3.14  0.00 peak  954 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HE# )
       ( resid  137 and name   HG# )
        3.51  1.71  0.00 peak  904 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HE# )
       ( resid  159 and name   HD# )
        3.82  2.02  0.00 peak   89 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name   HD# )
       ( resid  137 and name   HG# )
        3.82  2.02  0.00 peak   96 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  110 and name    HZ )
       ( resid  137 and name   HG# )
        3.15  1.35  0.00 peak  888 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  111 and name  HG1# )
        4.15  2.35  0.00 peak  158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HN )
       ( resid  161 and name   HG# )
        5.81  4.01  0.00 peak  163 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name    HB )
       ( resid  161 and name   HG# )
        5.81  4.01  0.00 peak  410 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG2# )
       ( resid  112 and name   HG# )
        4.76  2.96  0.00 peak  453 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG2# )
       ( resid  114 and name   HD# )
        3.52  1.72  0.00 peak 1238 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG1# )
       ( resid  113 and name    HN )
        5.81  4.01  0.00 peak  985 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG1# )
       ( resid  161 and name   HG# )
        4.17  2.37  0.00 peak  983 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG1# )
       ( resid  162 and name    HN )
        3.89  2.09  0.00 peak  980 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HG1# )
       ( resid  162 and name    HA )
        3.48  1.68  0.00 peak  304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HD1# )
       ( resid  114 and name   HD# )
        4.10  2.30  0.00 peak 1239 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HD1# )
       ( resid  161 and name   HB# )
        4.40  2.60  0.00 peak 1128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  111 and name  HD1# )
       ( resid  161 and name   HG# )
        4.07  2.27  0.00 peak 1129 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  112 and name    HN )
       ( resid  112 and name   HB# )
        3.32  1.52  0.00 peak  649 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  112 and name    HN )
       ( resid  112 and name   HG# )
        3.70  1.90  0.00 peak  454 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  112 and name    HN )
       ( resid  113 and name   HB# )
        5.03  3.23  0.00 peak  613 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  112 and name    HN )
       ( resid  114 and name   HD# )
        4.62  2.82  0.00 peak  646 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  112 and name    HA )
       ( resid  112 and name   HG# )
        3.35  1.55  0.00 peak  170 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  112 and name   HG# )
       ( resid  113 and name    HN )
        5.81  4.01  0.00 peak  432 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  113 and name    HN )
       ( resid  114 and name   HD# )
        5.38  3.58  0.00 peak  746 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  113 and name   HB# )
       ( resid  115 and name    HN )
        5.81  4.01  0.00 peak  725 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  113 and name   HB# )
       ( resid  133 and name   HE# )
        4.45  2.65  0.00 peak  182 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  114 and name   HB# )
        3.54  1.74  0.00 peak  105 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  114 and name   HD# )
        3.38  1.58  0.00 peak  108 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HN )
       ( resid  133 and name   HB# )
        5.81  4.01  0.00 peak   98 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name    HA )
       ( resid  133 and name   HB# )
        5.69  3.89  0.00 peak  149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HB# )
       ( resid  118 and name  HG2# )
        3.94  2.14  0.00 peak 1094 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HB# )
       ( resid  118 and name  HD1# )
        4.85  3.05  0.00 peak 1142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  115 and name    HN )
        3.80  2.00  0.00 peak  730 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  117 and name    HN )
        5.92  4.12  0.00 peak  752 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  129 and name    HN )
        5.92  4.12  0.00 peak  736 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  129 and name   HB# )
        5.92  4.12  0.00 peak  733 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  130 and name    HN )
        5.92  4.12  0.00 peak  603 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  130 and name    HA )
        4.69  2.89  0.00 peak  126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  133 and name    HN )
        5.92  4.12  0.00 peak  192 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  133 and name   HB# )
        5.07  3.27  0.00 peak 1212 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  133 and name   HE# )
        3.89  2.09  0.00 peak  686 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  133 and name   HD# )
        3.78  1.98  0.00 peak   83 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  134 and name    HN )
        5.87  4.07  0.00 peak  403 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  159 and name   HD# )
        4.52  2.72  0.00 peak  996 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  161 and name   HG# )
        5.73  3.93  0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  114 and name   HD# )
!       ( resid  162 and name    HN )
!        5.22  3.42  0.00 peak  250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  162 and name    HA )
        3.88  2.08  0.00 peak  300 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  162 and name   HB# )
        2.93  1.13  0.00 peak  959 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  163 and name    HN )
        5.44  3.64  0.00 peak  504 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  163 and name    HA )
        4.16  2.36  0.00 peak  737 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  166 and name    HN )
        5.92  4.12  0.00 peak  740 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  114 and name   HD# )
       ( resid  166 and name    HB )
        3.94  2.14  0.00 peak  538 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name    HN )
       ( resid  115 and name   HB# )
        3.39  1.59  0.00 peak  727 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  115 and name   HB# )
       ( resid  116 and name    HN )
        3.15  1.35  0.00 peak  652 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name    HA )
       ( resid  116 and name   HG# )
        3.17  1.37  0.00 peak  164 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG# )
       ( resid  117 and name    HA )
        4.44  2.64  0.00 peak  498 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG# )
       ( resid  118 and name    HN )
        5.81  4.01  0.00 peak  505 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG# )
       ( resid  120 and name    HN )
        4.50  2.70  0.00 peak  809 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG# )
       ( resid  121 and name    HN )
        4.45  2.65  0.00 peak  483 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  116 and name   HG# )
       ( resid  122 and name    HN )
        4.06  2.26  0.00 peak  523 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  116 and name   HG# )
!       ( resid  122 and name   HB# )
!        2.66  0.86  0.00 peak 1198 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name    HA )
       ( resid  120 and name   HG# )
        5.81  4.01  0.00 peak  103 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name   HB# )
       ( resid  118 and name  HG2# )
        4.06  2.26  0.00 peak 1093 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  117 and name   HB# )
       ( resid  119 and name    HN )
        4.75  2.95  0.00 peak  704 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HA )
       ( resid  126 and name   HB# )
        4.18  2.38  0.00 peak   51 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name    HA )
       ( resid  126 and name   HG# )
        4.77  2.97  0.00 peak  777 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG2# )
       ( resid  124 and name   HG# )
        5.29  3.49  0.00 peak  452 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HG2# )
       ( resid  126 and name   HG# )
        3.37  1.57  0.00 peak 1229 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HD1# )
       ( resid  126 and name   HG# )
        4.13  2.33  0.00 peak 1138 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  118 and name  HD1# )
       ( resid  170 and name   HG# )
        4.94  3.14  0.00 peak 1142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  119 and name    HN )
       ( resid  119 and name   HG# )
        4.65  2.85  0.00 peak  423 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  119 and name    HN )
       ( resid  126 and name   HG# )
        5.81  4.01  0.00 peak  674 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  119 and name    HA )
       ( resid  119 and name   HG# )
        3.55  1.75  0.00 peak  424 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  120 and name    HN )
!       ( resid  120 and name   HG# )
!        3.58  1.78  0.00 peak  805 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  120 and name    HN )
       ( resid  121 and name   HB# )
        5.81  4.01  0.00 peak  398 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  120 and name    HA )
       ( resid  120 and name   HG# )
        3.33  1.53  0.00 peak  243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  120 and name   HB# )
       ( resid  121 and name    HN )
        3.28  1.48  0.00 peak  482 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  120 and name   HB# )
       ( resid  122 and name    HN )
        4.31  2.51  0.00 peak  525 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HN )
       ( resid  121 and name   HB# )
        3.28  1.48  0.00 peak  480 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HN )
       ( resid  122 and name   HB# )
        4.16  2.36  0.00 peak  481 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name    HA )
       ( resid  122 and name   HB# )
        5.81  4.01  0.00 peak 1179 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  121 and name   HB# )
       ( resid  124 and name    HN )
        5.81  4.01  0.00 peak  266 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name    HN )
       ( resid  122 and name   HB# )
        3.34  1.54  0.00 peak  524 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name    HN )
       ( resid  122 and name   HG# )
        4.88  3.08  0.00 peak  458 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name    HA )
       ( resid  122 and name   HG# )
        3.32  1.52  0.00 peak  206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name   HB# )
       ( resid  123 and name    HN )
        3.59  1.79  0.00 peak  629 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  122 and name   HG# )
       ( resid  123 and name    HN )
        4.37  2.57  0.00 peak  461 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name    HN )
       ( resid  124 and name   HG# )
        4.41  2.61  0.00 peak  422 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name    HA )
       ( resid  124 and name   HG# )
        3.57  1.77  0.00 peak  308 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name   HG# )
       ( resid  129 and name    HN )
        4.36  2.56  0.00 peak  120 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name   HG# )
       ( resid  129 and name   HB# )
        3.65  1.85  0.00 peak 1068 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name   HG# )
       ( resid  132 and name    HN )
        5.05  3.25  0.00 peak  767 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  124 and name   HG# )
       ( resid  133 and name    HN )
        4.31  2.51  0.00 peak  191 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  125 and name    HA )
       ( resid  126 and name   HB# )
        5.30  3.50  0.00 peak  316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HN )
       ( resid  126 and name   HB# )
        3.56  1.76  0.00 peak   82 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HN )
       ( resid  126 and name   HG# )
        4.42  2.62  0.00 peak   83 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name    HA )
       ( resid  126 and name   HG# )
        3.65  1.85  0.00 peak  117 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  126 and name   HB# )
!       ( resid  127 and name  HG2# )
!        4.26  2.46  0.00 peak 1070 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name   HB# )
       ( resid  127 and name  HG1# )
        5.61  3.81  0.00 peak  510 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name   HB# )
       ( resid  129 and name    HN )
        5.81  4.01  0.00 peak  129 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name   HG# )
       ( resid  127 and name    HN )
        4.41  2.61  0.00 peak  572 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  126 and name   HG# )
       ( resid  129 and name    HN )
        5.81  4.01  0.00 peak  128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HN )
       ( resid  127 and name  HG1# )
        5.81  4.01  0.00 peak  660 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HA )
       ( resid  166 and name   HG# )
        5.34  3.54  0.00 peak  727 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name    HA )
       ( resid  167 and name   HD# )
        4.95  3.15  0.00 peak  614 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HG2# )
       ( resid  127 and name  HG1# )
        3.17  1.37  0.00 peak 1083 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HG2# )
       ( resid  167 and name   HD# )
        5.75  3.95  0.00 peak 1072 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HG1# )
       ( resid  171 and name    HN )
        5.81  4.01  0.00 peak  656 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  167 and name   HD# )
        2.68  0.88  0.00 peak  616 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  170 and name   HB# )
        5.40  3.60  0.00 peak 1160 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  127 and name  HD1# )
       ( resid  170 and name   HG# )
        5.81  4.01  0.00 peak 1160 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name    HN )
       ( resid  166 and name   HG# )
        4.13  2.33  0.00 peak  752 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  129 and name   HB# )
       ( resid  133 and name   HB# )
        4.28  2.48  0.00 peak 1059 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HN )
       ( resid  133 and name   HB# )
        4.41  2.61  0.00 peak  586 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HN )
       ( resid  167 and name   HD# )
        5.77  3.97  0.00 peak  588 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HA )
       ( resid  133 and name   HB# )
        5.81  4.01  0.00 peak  127 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  130 and name    HA )
       ( resid  166 and name   HG# )
        4.12  2.32  0.00 peak  929 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  131 and name    HN )
       ( resid  133 and name   HB# )
        5.03  3.23  0.00 peak  641 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  132 and name    HN )
       ( resid  133 and name   HB# )
        5.81  4.01  0.00 peak  771 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name    HN )
       ( resid  133 and name   HB# )
        3.30  1.50  0.00 peak  188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HB# )
       ( resid  134 and name    HN )
        4.05  2.25  0.00 peak  397 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HB# )
       ( resid  135 and name    HN )
        5.72  3.92  0.00 peak  667 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HE# )
       ( resid  137 and name   HG# )
        3.92  2.12  0.00 peak  946 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HE# )
       ( resid  159 and name   HD# )
        3.35  1.55  0.00 peak  187 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HD# )
       ( resid  137 and name   HG# )
        4.43  2.63  0.00 peak  946 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  133 and name   HD# )
       ( resid  159 and name   HD# )
        4.17  2.37  0.00 peak   84 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name    HN )
       ( resid  138 and name   HG# )
        5.63  3.83  0.00 peak  406 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HB# )
       ( resid  138 and name   HG# )
        5.38  3.58  0.00 peak  761 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HE# )
       ( resid  137 and name   HG# )
        5.11  3.31  0.00 peak  852 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HE# )
       ( resid  138 and name   HG# )
        4.34  2.54  0.00 peak  764 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HE# )
       ( resid  160 and name   HB# )
        5.34  3.54  0.00 peak  219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HE# )
       ( resid  163 and name   HB# )
        4.23  2.43  0.00 peak  216 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HD# )
       ( resid  138 and name   HG# )
        5.60  3.80  0.00 peak  769 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HD# )
       ( resid  159 and name   HD# )
        5.13  3.33  0.00 peak   64 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  134 and name   HD# )
       ( resid  163 and name   HB# )
        4.17  2.37  0.00 peak   66 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  135 and name    HN )
       ( resid  135 and name   HB# )
        3.14  1.34  0.00 peak  743 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  136 and name    HN )
       ( resid  137 and name   HG# )
        4.85  3.05  0.00 peak  888 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HN )
       ( resid  137 and name   HG# )
        3.40  1.60  0.00 peak  902 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HN )
       ( resid  138 and name   HG# )
        4.65  2.85  0.00 peak  233 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HN )
       ( resid  159 and name   HD# )
        4.49  2.69  0.00 peak  990 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HA )
       ( resid  137 and name   HG# )
        2.77  0.97  0.00 peak   40 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HB )
       ( resid  138 and name   HG# )
        4.93  3.13  0.00 peak  766 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name    HB )
       ( resid  159 and name   HD# )
        4.41  2.61  0.00 peak  995 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  138 and name    HN )
        3.19  1.39  0.00 peak  382 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  138 and name    HA )
        3.47  1.67  0.00 peak   19 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  140 and name    HB )
        5.24  3.44  0.00 peak    6 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  140 and name  HG2# )
        4.87  3.07  0.00 peak  972 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  141 and name    HN )
        3.85  2.05  0.00 peak  220 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  141 and name   HB# )
        3.95  2.15  0.00 peak  893 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  141 and name   HD# )
        2.99  1.19  0.00 peak 1217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  142 and name    HN )
        5.25  3.45  0.00 peak  857 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  156 and name    HA )
        5.51  3.71  0.00 peak   55 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  159 and name    HN )
        5.52  3.72  0.00 peak  132 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  137 and name   HG# )
       ( resid  159 and name   HD# )
        3.18  1.38  0.00 peak  895 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HN )
       ( resid  138 and name   HG# )
        3.11  1.31  0.00 peak  350 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HN )
       ( resid  139 and name   HB# )
        5.04  3.24  0.00 peak  346 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HN )
       ( resid  141 and name   HD# )
        5.18  3.38  0.00 peak  351 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HA )
       ( resid  141 and name   HD# )
        4.41  2.61  0.00 peak   21 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name    HA )
       ( resid  142 and name   HG# )
        5.92  4.12  0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name   HG# )
       ( resid  139 and name    HN )
        5.92  4.12  0.00 peak  768 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name   HG# )
       ( resid  159 and name   HB2 )
        5.57  3.77  0.00 peak  766 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  138 and name   HG# )
       ( resid  159 and name   HD# )
        3.42  1.62  0.00 peak  767 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name    HN )
       ( resid  139 and name   HB# )
        3.32  1.52  0.00 peak  992 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name    HN )
       ( resid  142 and name   HG# )
        5.92  4.12  0.00 peak  985 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name    HA )
       ( resid  142 and name   HG# )
        5.92  4.12  0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name   HB# )
       ( resid  140 and name    HN )
        3.30  1.50  0.00 peak  886 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name   HB# )
       ( resid  140 and name  HG2# )
        5.81  4.01  0.00 peak  966 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name   HB# )
       ( resid  141 and name    HN )
        5.78  3.98  0.00 peak  215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  139 and name   HB# )
       ( resid  142 and name    HN )
        5.81  4.01  0.00 peak 1007 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HN )
       ( resid  141 and name   HB# )
        5.33  3.53  0.00 peak  881 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HN )
       ( resid  141 and name   HD# )
        5.35  3.55  0.00 peak  888 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HN )
       ( resid  142 and name   HG# )
        5.56  3.76  0.00 peak  981 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HN )
       ( resid  143 and name   HB# )
        5.84  4.04  0.00 peak  633 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  140 and name    HN )
!       ( resid  143 and name   HG# )
!        5.81  4.01  0.00 peak  479 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name    HB )
       ( resid  141 and name   HD# )
        5.92  4.12  0.00 peak    6 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name  HG2# )
       ( resid  141 and name   HB# )
        4.60  2.80  0.00 peak  915 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name  HG2# )
       ( resid  141 and name   HD# )
        5.10  3.30  0.00 peak  972 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name  HG2# )
       ( resid  143 and name   HB# )
        5.81  4.01  0.00 peak  969 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  140 and name  HG2# )
       ( resid  143 and name   HG# )
        5.81  4.01  0.00 peak  968 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HN )
       ( resid  141 and name   HB# )
        3.06  1.26  0.00 peak  218 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HN )
       ( resid  141 and name   HD# )
        3.85  2.05  0.00 peak  221 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HA )
       ( resid  141 and name   HD# )
        3.95  2.15  0.00 peak  906 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name    HG )
       ( resid  159 and name   HD# )
        5.92  4.12  0.00 peak  694 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name   HD# )
       ( resid  142 and name    HN )
        4.31  2.51  0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name   HD# )
       ( resid  152 and name    HA )
        5.92  4.12  0.00 peak  914 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name   HD# )
       ( resid  155 and name    HN )
        5.10  3.30  0.00 peak  659 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name   HD# )
       ( resid  155 and name    HA )
        4.81  3.01  0.00 peak  907 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  141 and name   HD# )
       ( resid  156 and name    HN )
        5.92  4.12  0.00 peak  913 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HN )
       ( resid  142 and name   HG# )
        3.52  1.72  0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HN )
       ( resid  144 and name   HB# )
        5.81  4.01  0.00 peak 1014 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HA )
       ( resid  142 and name   HG# )
        3.12  1.32  0.00 peak   69 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HA )
       ( resid  152 and name   HG# )
        4.50  2.70  0.00 peak  937 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name    HB )
       ( resid  152 and name   HG# )
        5.92  4.12  0.00 peak  935 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name   HG# )
       ( resid  143 and name    HN )
        3.96  2.16  0.00 peak  627 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name   HG# )
       ( resid  143 and name   HB# )
        5.73  3.93  0.00 peak  631 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name   HG# )
       ( resid  143 and name   HG# )
        5.73  3.93  0.00 peak  476 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name   HG# )
       ( resid  144 and name    HN )
        4.47  2.67  0.00 peak  459 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name   HG# )
       ( resid  144 and name   HB# )
        5.73  3.93  0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  142 and name   HG# )
!       ( resid  145 and name    HN )
!        5.92  4.12  0.00 peak   94 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name   HG# )
       ( resid  152 and name    HN )
        5.92  4.12  0.00 peak 1012 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  142 and name   HG# )
!       ( resid  152 and name    HB )
!        3.22  1.42  0.00 peak  556 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  142 and name   HG# )
       ( resid  156 and name  HG1# )
        5.66  3.86  0.00 peak 1025 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  143 and name    HN )
!       ( resid  143 and name   HG# )
!        3.40  1.60  0.00 peak  623 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  143 and name    HN )
       ( resid  144 and name   HB# )
        5.33  3.53  0.00 peak  622 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  143 and name    HA )
       ( resid  143 and name   HB# )
        2.44  0.64  0.00 peak  271 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  143 and name    HA )
       ( resid  143 and name   HG# )
        3.55  1.75  0.00 peak  277 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  143 and name   HG# )
!       ( resid  144 and name    HN )
!        3.29  1.49  0.00 peak  457 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  144 and name    HN )
       ( resid  144 and name   HB# )
        3.23  1.43  0.00 peak  455 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  144 and name    HN )
!       ( resid  145 and name   HG# )
!        5.81  4.01  0.00 peak  472 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  144 and name   HB# )
       ( resid  146 and name    HN )
        5.87  4.07  0.00 peak  327 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name    HN )
       ( resid  145 and name   HG# )
        4.73  2.93  0.00 peak  489 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name    HN )
       ( resid  146 and name   HB# )
        5.81  4.01  0.00 peak   86 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  145 and name    HN )
!       ( resid  151 and name   HG# )
!        5.92  4.12  0.00 peak   94 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name    HA )
       ( resid  145 and name   HG# )
        3.71  1.91  0.00 peak  491 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name   HG# )
       ( resid  146 and name    HN )
        4.21  2.41  0.00 peak  471 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name   HG# )
       ( resid  146 and name    HA )
        4.40  2.60  0.00 peak  491 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name   HG# )
       ( resid  146 and name   HB# )
        5.61  3.81  0.00 peak  495 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name   HG# )
       ( resid  146 and name    HG )
        5.81  4.01  0.00 peak  495 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name   HG# )
       ( resid  147 and name    HN )
        3.73  1.93  0.00 peak  470 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name   HG# )
       ( resid  148 and name    HN )
        5.81  4.01  0.00 peak  468 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name   HG# )
       ( resid  151 and name   HG# )
        4.15  2.35  0.00 peak  467 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  145 and name   HG# )
       ( resid  152 and name    HN )
        5.84  4.04  0.00 peak  309 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HN )
       ( resid  146 and name   HB# )
        3.08  1.28  0.00 peak  323 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  146 and name    HN )
!       ( resid  151 and name   HG# )
!        4.45  2.65  0.00 peak  329 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name    HA )
       ( resid  146 and name   HD# )
        3.78  1.98  0.00 peak  842 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name   HB# )
       ( resid  146 and name   HD# )
        2.44  0.64  0.00 peak  884 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name   HB# )
       ( resid  147 and name    HA )
        5.81  4.01  0.00 peak   80 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  146 and name   HD# )
       ( resid  148 and name    HN )
        5.47  3.67  0.00 peak  785 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HN )
       ( resid  151 and name   HG# )
        3.72  1.92  0.00 peak  426 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HA )
       ( resid  148 and name   HB# )
        5.81  4.01  0.00 peak   79 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HA )
       ( resid  151 and name   HG# )
        4.87  3.07  0.00 peak   81 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HB )
       ( resid  151 and name   HG# )
        4.45  2.65  0.00 peak   12 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name    HB )
       ( resid  152 and name   HG# )
        5.52  3.72  0.00 peak  879 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name  HG2# )
       ( resid  148 and name   HB# )
        3.72  1.92  0.00 peak  868 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  147 and name  HG2# )
       ( resid  151 and name   HG# )
        2.41  0.61  0.00 peak 1219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  148 and name   HB# )
        3.41  1.61  0.00 peak  523 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  148 and name   HG# )
        4.08  2.28  0.00 peak   70 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  148 and name    HN )
!       ( resid  148 and name   HE# )
!        5.81  4.01  0.00 peak   60 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  151 and name   HG# )
        4.66  2.86  0.00 peak   73 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name    HN )
       ( resid  152 and name   HG# )
        4.73  2.93  0.00 peak   71 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HB# )
       ( resid  149 and name    HN )
        3.64  1.84  0.00 peak  202 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HB# )
       ( resid  150 and name    HN )
        3.96  2.16  0.00 peak  434 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HB# )
       ( resid  150 and name   HB# )
        4.57  2.77  0.00 peak 1042 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HB# )
       ( resid  151 and name   HG# )
        3.02  1.22  0.00 peak  927 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HG# )
       ( resid  148 and name   HE# )
        2.38  0.58  0.00 peak  353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HG# )
       ( resid  149 and name    HN )
        3.83  2.03  0.00 peak  204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HG# )
       ( resid  150 and name    HN )
        4.76  2.96  0.00 peak  722 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HG# )
       ( resid  150 and name    HA )
        4.54  2.74  0.00 peak  303 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HG# )
       ( resid  151 and name    HN )
        4.24  2.44  0.00 peak  711 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HG# )
       ( resid  151 and name   HG# )
        3.37  1.57  0.00 peak  928 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HG# )
       ( resid  152 and name    HN )
        4.79  2.99  0.00 peak  315 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HE# )
       ( resid  149 and name    HN )
        5.81  4.01  0.00 peak  199 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HE# )
       ( resid  149 and name    HA )
        5.81  4.01  0.00 peak  253 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HE# )
       ( resid  150 and name    HN )
        4.16  2.36  0.00 peak  432 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  148 and name   HE# )
       ( resid  150 and name   HB# )
        4.62  2.82  0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  148 and name   HE# )
!       ( resid  151 and name   HG# )
!        4.12  2.32  0.00 peak  354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HN )
       ( resid  149 and name   HB# )
        3.53  1.73  0.00 peak  200 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HA )
       ( resid  152 and name   HG# )
        5.15  3.35  0.00 peak  869 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name    HA )
       ( resid  153 and name   HB# )
        4.67  2.87  0.00 peak  227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name   HB# )
       ( resid  150 and name    HN )
        3.56  1.76  0.00 peak  433 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name   HB# )
       ( resid  150 and name   HB# )
        5.09  3.29  0.00 peak 1041 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name   HB# )
       ( resid  151 and name    HN )
        5.81  4.01  0.00 peak  706 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name   HB# )
       ( resid  152 and name   HG# )
        4.89  3.09  0.00 peak  404 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name   HB# )
       ( resid  153 and name    HN )
        5.81  4.01  0.00 peak  776 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  149 and name   HB# )
       ( resid  153 and name   HD# )
        4.19  2.39  0.00 peak  798 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name    HN )
       ( resid  151 and name   HG# )
        4.91  3.11  0.00 peak  917 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name    HN )
       ( resid  152 and name   HG# )
        4.38  2.58  0.00 peak  438 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  150 and name   HB# )
       ( resid  151 and name   HG# )
        3.62  1.82  0.00 peak 1224 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HN )
       ( resid  151 and name   HG# )
        3.21  1.41  0.00 peak  713 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HN )
       ( resid  152 and name   HG# )
        4.77  2.97  0.00 peak  878 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HA )
       ( resid  151 and name   HG# )
        2.78  0.98  0.00 peak   52 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HA )
       ( resid  154 and name   HB# )
        4.85  3.05  0.00 peak   50 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name    HB )
       ( resid  152 and name   HG# )
        4.56  2.76  0.00 peak  871 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name   HG# )
       ( resid  152 and name    HN )
        3.46  1.66  0.00 peak  316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name   HG# )
       ( resid  152 and name    HA )
        5.92  4.12  0.00 peak  979 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name   HG# )
       ( resid  154 and name    HN )
        5.92  4.12  0.00 peak  981 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name   HG# )
       ( resid  154 and name   HG# )
        5.06  3.26  0.00 peak  773 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  151 and name   HG# )
       ( resid  154 and name   HE# )
        5.92  4.12  0.00 peak  989 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  152 and name   HG# )
        3.63  1.83  0.00 peak  875 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  153 and name   HB# )
        5.14  3.34  0.00 peak  315 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  152 and name    HN )
!       ( resid  154 and name   HG# )
!        4.58  2.78  0.00 peak  360 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HN )
       ( resid  154 and name   HD# )
        5.60  3.80  0.00 peak  310 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name    HA )
       ( resid  152 and name   HG# )
        3.02  1.22  0.00 peak   18 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  152 and name    HA )
!       ( resid  154 and name   HD# )
!        5.44  3.64  0.00 peak  653 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name   HG# )
       ( resid  153 and name    HN )
        3.44  1.64  0.00 peak  785 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name   HG# )
       ( resid  153 and name    HA )
        3.63  1.83  0.00 peak  215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name   HG# )
       ( resid  153 and name   HB# )
        3.96  2.16  0.00 peak  898 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name   HG# )
       ( resid  154 and name    HN )
        4.78  2.98  0.00 peak  538 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  152 and name   HG# )
!       ( resid  154 and name   HG# )
!        5.23  3.43  0.00 peak  839 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name   HG# )
       ( resid  154 and name   HD# )
        5.34  3.54  0.00 peak  941 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name   HG# )
       ( resid  155 and name    HN )
        4.81  3.01  0.00 peak  698 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  152 and name   HG# )
       ( resid  156 and name    HB )
        5.92  4.12  0.00 peak  941 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HN )
       ( resid  153 and name   HB# )
        3.19  1.39  0.00 peak  784 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HN )
       ( resid  153 and name   HD# )
        3.88  2.08  0.00 peak  796 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HN )
       ( resid  154 and name   HD# )
        5.39  3.59  0.00 peak  787 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HN )
       ( resid  156 and name  HG1# )
        4.64  2.84  0.00 peak  783 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name    HA )
       ( resid  153 and name   HD# )
        3.45  1.65  0.00 peak  804 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name   HB# )
       ( resid  153 and name   HD# )
        2.67  0.87  0.00 peak  807 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  153 and name   HB# )
!       ( resid  156 and name  HD1# )
!        5.30  3.50  0.00 peak 1151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name   HD# )
       ( resid  154 and name    HN )
        5.27  3.47  0.00 peak  538 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name   HD# )
       ( resid  156 and name    HA )
        5.92  4.12  0.00 peak   55 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name   HD# )
       ( resid  156 and name    HB )
        4.14  2.34  0.00 peak  408 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name   HD# )
       ( resid  156 and name  HG1# )
        3.97  2.17  0.00 peak  606 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name   HD# )
       ( resid  157 and name    HA )
        4.80  3.00  0.00 peak  795 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  153 and name   HD# )
       ( resid  157 and name   HG# )
        3.70  1.90  0.00 peak  465 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HN )
       ( resid  154 and name   HG# )
        3.73  1.93  0.00 peak  490 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HN )
       ( resid  156 and name  HG1# )
        5.81  4.01  0.00 peak  633 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HN )
       ( resid  157 and name   HG# )
        4.90  3.10  0.00 peak  485 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HA )
       ( resid  154 and name   HG# )
        3.63  1.83  0.00 peak  191 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name    HA )
       ( resid  157 and name   HG# )
        5.81  4.01  0.00 peak  462 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name   HB# )
       ( resid  154 and name   HE# )
        4.64  2.84  0.00 peak  557 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name   HG# )
       ( resid  154 and name   HE# )
        2.95  1.15  0.00 peak  357 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name   HG# )
       ( resid  155 and name    HN )
        5.81  4.01  0.00 peak  779 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  154 and name   HD# )
       ( resid  154 and name   HE# )
        2.05  0.25  0.00 peak  352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  155 and name    HN )
       ( resid  157 and name   HG# )
        5.31  3.51  0.00 peak  656 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name    HA )
       ( resid  159 and name   HD# )
        5.92  4.12  0.00 peak   48 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HG2# )
       ( resid  157 and name   HG# )
        5.81  4.01  0.00 peak 1047 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HG2# )
       ( resid  159 and name   HD# )
        4.29  2.49  0.00 peak 1054 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  156 and name  HG1# )
       ( resid  157 and name    HN )
        4.04  2.24  0.00 peak  416 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HN )
       ( resid  159 and name   HD# )
        4.16  2.36  0.00 peak  134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name    HA )
       ( resid  159 and name   HD# )
        3.81  2.01  0.00 peak  992 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name   HB2 )
       ( resid  161 and name   HG# )
        5.81  4.01  0.00 peak  412 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name   HD# )
       ( resid  160 and name    HN )
        4.82  3.02  0.00 peak  318 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  159 and name   HD# )
       ( resid  162 and name   HB# )
        4.09  2.29  0.00 peak  994 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  160 and name    HN )
       ( resid  161 and name   HB# )
        5.78  3.98  0.00 peak  597 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  160 and name    HN )
       ( resid  161 and name   HG# )
        5.81  4.01  0.00 peak 1195 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  160 and name   HB# )
       ( resid  161 and name   HG# )
        5.61  3.81  0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  160 and name   HB# )
       ( resid  162 and name    HN )
        5.81  4.01  0.00 peak  250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  160 and name   HB# )
       ( resid  163 and name    HN )
        5.81  4.01  0.00 peak  501 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  160 and name   HB# )
       ( resid  163 and name   HE# )
        5.06  3.26  0.00 peak  208 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  160 and name   HB# )
       ( resid  163 and name   HD# )
        5.18  3.38  0.00 peak   42 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  161 and name    HN )
       ( resid  161 and name   HB# )
        3.41  1.61  0.00 peak  511 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  161 and name    HN )
       ( resid  161 and name   HG# )
        3.49  1.69  0.00 peak  515 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  161 and name    HA )
       ( resid  161 and name   HG# )
        3.56  1.76  0.00 peak  142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  161 and name   HB# )
       ( resid  162 and name    HN )
        4.03  2.23  0.00 peak  246 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  161 and name   HG# )
       ( resid  162 and name    HN )
        4.10  2.30  0.00 peak  245 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  161 and name   HG# )
       ( resid  165 and name   HB# )
        5.61  3.81  0.00 peak  410 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  162 and name    HN )
       ( resid  163 and name   HB# )
        5.81  4.01  0.00 peak  253 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  162 and name    HN )
       ( resid  165 and name   HB# )
        5.32  3.52  0.00 peak  248 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  162 and name    HA )
       ( resid  165 and name   HB# )
        5.41  3.61  0.00 peak  302 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name    HN )
       ( resid  164 and name   HB# )
        5.81  4.01  0.00 peak  506 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name    HN )
       ( resid  165 and name   HB# )
        5.81  4.01  0.00 peak  508 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name   HB# )
       ( resid  164 and name    HN )
        3.57  1.77  0.00 peak  688 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  163 and name   HE# )
       ( resid  167 and name   HD# )
        4.83  3.03  0.00 peak  209 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  165 and name    HN )
       ( resid  166 and name   HG# )
        5.61  3.81  0.00 peak  373 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HN )
       ( resid  166 and name   HG# )
        3.10  1.30  0.00 peak  305 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name    HA )
       ( resid  166 and name   HG# )
        2.95  1.15  0.00 peak  933 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name   HG# )
       ( resid  167 and name    HN )
        3.71  1.91  0.00 peak  290 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name   HG# )
       ( resid  167 and name    HA )
        4.23  2.43  0.00 peak  754 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  166 and name   HG# )
!       ( resid  167 and name   HD# )
!        3.40  1.60  0.00 peak  756 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name   HG# )
       ( resid  169 and name    HN )
        5.92  4.12  0.00 peak 1036 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  166 and name   HG# )
       ( resid  170 and name   HG# )
        3.12  1.32  0.00 peak  435 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HN )
       ( resid  170 and name   HB# )
        5.49  3.69  0.00 peak  298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HN )
       ( resid  170 and name   HG# )
        5.81  4.01  0.00 peak  298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name    HA )
       ( resid  167 and name   HD# )
        4.81  3.01  0.00 peak  154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name   HB2 )
       ( resid  168 and name   HD# )
        5.81  4.01  0.00 peak  341 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  167 and name   HD# )
       ( resid  170 and name    HN )
        5.81  4.01  0.00 peak  613 volume 0.00 ppm1 0.000 ppm2 0.000

!assign ( resid  167 and name   HD# )
!       ( resid  170 and name   HB# )
!        4.90  3.10  0.00 peak  619 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HN )
       ( resid  168 and name   HG# )
        3.64  1.84  0.00 peak  795 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HN )
       ( resid  168 and name   HD# )
        4.99  3.19  0.00 peak  793 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HN )
       ( resid  169 and name   HA# )
        4.33  2.53  0.00 peak  791 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HN )
       ( resid  170 and name   HB# )
        5.81  4.01  0.00 peak  800 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HA )
       ( resid  168 and name   HG# )
        3.03  1.23  0.00 peak  211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name    HA )
       ( resid  168 and name   HD# )
        5.43  3.63  0.00 peak  337 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name   HB1 )
       ( resid  168 and name   HD# )
        3.39  1.59  0.00 peak  340 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name   HB1 )
       ( resid  169 and name   HA# )
        4.46  2.66  0.00 peak  581 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  168 and name   HG# )
       ( resid  169 and name    HN )
        4.68  2.88  0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  169 and name    HN )
       ( resid  169 and name   HA# )
        2.58  0.78  0.00 peak 1033 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  169 and name    HN )
       ( resid  170 and name   HB# )
        5.81  4.01  0.00 peak 1034 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  169 and name    HN )
       ( resid  170 and name   HG# )
        4.75  2.95  0.00 peak  427 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  169 and name   HA# )
       ( resid  170 and name    HN )
        3.10  1.30  0.00 peak  367 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  169 and name   HA# )
       ( resid  170 and name    HA )
        5.24  3.44  0.00 peak 1177 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  170 and name    HN )
       ( resid  170 and name   HB# )
        3.05  1.25  0.00 peak  369 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  170 and name    HN )
       ( resid  170 and name   HG# )
        3.81  2.01  0.00 peak  437 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  170 and name    HA )
       ( resid  170 and name   HB# )
        2.60  0.80  0.00 peak  239 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  170 and name    HA )
       ( resid  170 and name   HG# )
        3.08  1.28  0.00 peak  239 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  171 and name    HN )
       ( resid  171 and name   HB# )
        3.06  1.26  0.00 peak  759 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  171 and name    HN )
       ( resid  172 and name   HG# )
        5.81  4.01  0.00 peak  768 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  171 and name    HA )
       ( resid  172 and name   HB# )
        4.87  3.07  0.00 peak  182 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  171 and name   HB# )
       ( resid  172 and name    HN )
        3.89  2.09  0.00 peak  146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  171 and name   HB# )
       ( resid  173 and name    HN )
        5.61  3.81  0.00 peak  180 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HN )
       ( resid  172 and name   HB# )
        3.48  1.68  0.00 peak  149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HN )
       ( resid  172 and name   HG# )
        4.16  2.36  0.00 peak  150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HA )
       ( resid  172 and name   HG# )
        3.61  1.81  0.00 peak  248 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name    HA )
       ( resid  172 and name   HD# )
        5.81  4.01  0.00 peak  640 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name   HB# )
       ( resid  173 and name    HN )
        3.90  2.10  0.00 peak  182 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  172 and name   HB# )
       ( resid  173 and name   HD# )
        5.73  3.93  0.00 peak  521 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HN )
       ( resid  173 and name   HB# )
        3.00  1.20  0.00 peak  183 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HN )
       ( resid  173 and name   HD# )
        4.53  2.73  0.00 peak  858 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HN )
       ( resid  174 and name   HG# )
        5.81  4.01  0.00 peak  181 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HA )
       ( resid  173 and name   HD# )
        3.48  1.68  0.00 peak  299 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name    HA )
       ( resid  174 and name   HB# )
        5.34  3.54  0.00 peak  582 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HB# )
       ( resid  173 and name   HD# )
        2.70  0.90  0.00 peak  376 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HB# )
       ( resid  174 and name    HN )
        4.12  2.32  0.00 peak  272 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HB# )
       ( resid  174 and name   HG# )
        5.10  3.30  0.00 peak  443 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HD# )
       ( resid  174 and name    HN )
        4.67  2.87  0.00 peak  849 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HD# )
       ( resid  175 and name    HN )
        5.80  4.00  0.00 peak  856 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  173 and name   HD# )
       ( resid  175 and name   HB# )
        5.73  3.93  0.00 peak  853 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  174 and name    HN )
       ( resid  174 and name   HB# )
        3.19  1.39  0.00 peak  589 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  174 and name    HN )
       ( resid  174 and name   HG# )
        3.71  1.91  0.00 peak  270 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  174 and name    HA )
       ( resid  174 and name   HG# )
        3.53  1.73  0.00 peak  278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid  174 and name   HB# )
       ( resid  175 and name    HA )
        5.81  4.01  0.00 peak  292 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid  153 and name  HD2# )
        5.27  3.47  0.00 peak    2 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid  153 and name  HD1# )
        5.27  3.47  0.00 peak    6 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name  HD2# )
       ( resid  149 and name    HA )
        5.27  3.47  0.00 peak   12 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name  HD1# )
       ( resid  149 and name    HA )
        5.27  3.47  0.00 peak   16 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid  156 and name  HD1# )
        5.77  3.97  0.00 peak   19 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid  157 and name    HA )
        4.87  3.07  0.00 peak   17 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG# )
       ( resid  157 and name   HG# )
        3.67  1.87  0.00 peak   18 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid  153 and name   HD# )
        4.19  2.39  0.00 peak    6 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name   HB# )
       ( resid  153 and name   HD# )
        4.12  2.32  0.00 peak    4 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HB )
       ( resid  153 and name   HD# )
        5.27  3.47  0.00 peak    3 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid  149 and name    HA )
        4.19  2.39  0.00 peak   16 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid  149 and name   HB# )
        4.12  2.32  0.00 peak   14 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HD# )
       ( resid  152 and name    HB )
        5.27  3.47  0.00 peak   13 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HD1# )
       ( resid  142 and name   HG# )
        5.77  3.97  0.00 peak    9 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HA )
       ( resid  142 and name   HG# )
        4.87  3.07  0.00 peak    7 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name   HG# )
       ( resid  142 and name   HG# )
        3.67  1.87  0.00 peak    8 volume 0.00 ppm1 0.000 ppm2 0.000



assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -54.0   18.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -45.0   14.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -67.0   10.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -40.0   18.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -65.0   16.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -41.0   10.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -65.0   10.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -44.0   10.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -65.0   10.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -39.0   12.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -63.0   10.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -42.0   10.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -61.0   12.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -47.0   10.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -62.0   10.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -42.0   10.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -68.0   12.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -42.0   12.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -66.0   14.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -39.0   13.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -64.0   10.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -44.0   10.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -62.0   14.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -38.0   13.0 2
!assign (resid   25 and name C    ) (resid   26 and name N    )
!       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -57.0   12.0 2
!assign (resid   26 and name N    ) (resid   26 and name CA   )
!       (resid   26 and name C    ) (resid   27 and name N    )    1.0  -43.0   18.0 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -67.0   16.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  -35.0   20.0 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -72.0   20.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  -31.0   48.0 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -62.0   12.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -43.0   14.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -62.0   10.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -43.0   10.0 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -67.0   11.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -38.0   18.0 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -68.0   16.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -37.0   14.0 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0  -66.0   14.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  -41.0   20.0 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -61.0   12.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  -43.0   12.0 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -60.0   12.0 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  -45.0   18.0 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -64.0   10.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  -41.0   12.0 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -64.0   12.0 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  -45.0   12.0 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -63.0   12.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  -45.0   12.0 2
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0  -59.0   10.0 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  -39.0   20.0 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -67.0   16.0 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -41.0   14.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -66.0   18.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  -39.0   10.0 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -77.0   28.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  -14.0   36.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0  -60.0   10.0 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  -38.0   26.0 2
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0  -64.0   10.0 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  -37.0   13.0 2
assign (resid   50 and name C    ) (resid   51 and name N    )
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assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0  -45.0   11.0 2
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0  -65.0   10.0 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
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assign (resid   52 and name C    ) (resid   53 and name N    )
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assign (resid   53 and name N    ) (resid   53 and name CA   )
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assign (resid   53 and name C    ) (resid   54 and name N    )
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assign (resid   54 and name N    ) (resid   54 and name CA   )
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assign (resid   54 and name C    ) (resid   55 and name N    )
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assign (resid   55 and name N    ) (resid   55 and name CA   )
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assign (resid   55 and name C    ) (resid   56 and name N    )
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assign (resid   56 and name N    ) (resid   56 and name CA   )
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assign (resid   56 and name C    ) (resid   57 and name N    )
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assign (resid   57 and name N    ) (resid   57 and name CA   )
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assign (resid   57 and name C    ) (resid   58 and name N    )
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assign (resid   58 and name N    ) (resid   58 and name CA   )
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assign (resid   58 and name C    ) (resid   59 and name N    )
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assign (resid   59 and name N    ) (resid   59 and name CA   )
       (resid   59 and name C    ) (resid   60 and name N    )    1.0  -38.0   14.0 2
assign (resid   59 and name C    ) (resid   60 and name N    )
       (resid   60 and name CA   ) (resid   60 and name C    )    1.0  -63.0   10.0 2
assign (resid   60 and name N    ) (resid   60 and name CA   )
       (resid   60 and name C    ) (resid   61 and name N    )    1.0  -42.0   12.0 2
assign (resid   60 and name C    ) (resid   61 and name N    )
       (resid   61 and name CA   ) (resid   61 and name C    )    1.0  -63.0   10.0 2
assign (resid   61 and name N    ) (resid   61 and name CA   )
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assign (resid   61 and name C    ) (resid   62 and name N    )
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assign (resid   62 and name N    ) (resid   62 and name CA   )
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assign (resid   62 and name C    ) (resid   63 and name N    )
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assign (resid   63 and name N    ) (resid   63 and name CA   )
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assign (resid   63 and name C    ) (resid   64 and name N    )
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assign (resid   64 and name N    ) (resid   64 and name CA   )
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assign (resid   64 and name C    ) (resid   65 and name N    )
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assign (resid   65 and name N    ) (resid   65 and name CA   )
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assign (resid   65 and name C    ) (resid   66 and name N    )
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assign (resid   66 and name N    ) (resid   66 and name CA   )
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assign (resid   66 and name C    ) (resid   67 and name N    )
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assign (resid   67 and name N    ) (resid   67 and name CA   )
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assign (resid   67 and name C    ) (resid   68 and name N    )
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assign (resid   68 and name N    ) (resid   68 and name CA   )
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assign (resid  106 and name C    ) (resid  107 and name N    )
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assign (resid  107 and name N    ) (resid  107 and name CA   )
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assign (resid  108 and name C    ) (resid  109 and name N    )
       (resid  109 and name CA   ) (resid  109 and name C    )    1.0  -67.0   10.0 2
assign (resid  109 and name N    ) (resid  109 and name CA   )
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assign (resid  109 and name C    ) (resid  110 and name N    )
       (resid  110 and name CA   ) (resid  110 and name C    )    1.0  -65.0   16.0 2
assign (resid  110 and name N    ) (resid  110 and name CA   )
       (resid  110 and name C    ) (resid  111 and name N    )    1.0  -41.0   10.0 2
assign (resid  110 and name C    ) (resid  111 and name N    )
       (resid  111 and name CA   ) (resid  111 and name C    )    1.0  -65.0   10.0 2
assign (resid  111 and name N    ) (resid  111 and name CA   )
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assign (resid  111 and name C    ) (resid  112 and name N    )
       (resid  112 and name CA   ) (resid  112 and name C    )    1.0  -65.0   10.0 2
assign (resid  112 and name N    ) (resid  112 and name CA   )
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assign (resid  112 and name C    ) (resid  113 and name N    )
       (resid  113 and name CA   ) (resid  113 and name C    )    1.0  -63.0   10.0 2
assign (resid  113 and name N    ) (resid  113 and name CA   )
       (resid  113 and name C    ) (resid  114 and name N    )    1.0  -42.0   10.0 2
assign (resid  113 and name C    ) (resid  114 and name N    )
       (resid  114 and name CA   ) (resid  114 and name C    )    1.0  -61.0   12.0 2
assign (resid  114 and name N    ) (resid  114 and name CA   )
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assign (resid  114 and name C    ) (resid  115 and name N    )
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assign (resid  115 and name N    ) (resid  115 and name CA   )
       (resid  115 and name C    ) (resid  116 and name N    )    1.0  -42.0   10.0 2
assign (resid  115 and name C    ) (resid  116 and name N    )
       (resid  116 and name CA   ) (resid  116 and name C    )    1.0  -68.0   12.0 2
assign (resid  116 and name N    ) (resid  116 and name CA   )
       (resid  116 and name C    ) (resid  117 and name N    )    1.0  -42.0   12.0 2
assign (resid  116 and name C    ) (resid  117 and name N    )
       (resid  117 and name CA   ) (resid  117 and name C    )    1.0  -66.0   14.0 2
assign (resid  117 and name N    ) (resid  117 and name CA   )
       (resid  117 and name C    ) (resid  118 and name N    )    1.0  -39.0   13.0 2
assign (resid  117 and name C    ) (resid  118 and name N    )
       (resid  118 and name CA   ) (resid  118 and name C    )    1.0  -64.0   10.0 2
assign (resid  118 and name N    ) (resid  118 and name CA   )
       (resid  118 and name C    ) (resid  119 and name N    )    1.0  -44.0   10.0 2
assign (resid  118 and name C    ) (resid  119 and name N    )
       (resid  119 and name CA   ) (resid  119 and name C    )    1.0  -62.0   14.0 2
assign (resid  119 and name N    ) (resid  119 and name CA   )
       (resid  119 and name C    ) (resid  120 and name N    )    1.0  -38.0   13.0 2
!assign (resid  125 and name C    ) (resid  126 and name N    )
!       (resid  126 and name CA   ) (resid  126 and name C    )    1.0  -57.0   12.0 2
!assign (resid  126 and name N    ) (resid  126 and name CA   )
!       (resid  126 and name C    ) (resid  127 and name N    )    1.0  -43.0   18.0 2
assign (resid  126 and name C    ) (resid  127 and name N    )
       (resid  127 and name CA   ) (resid  127 and name C    )    1.0  -67.0   16.0 2
assign (resid  127 and name N    ) (resid  127 and name CA   )
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assign (resid  127 and name C    ) (resid  128 and name N    )
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assign (resid  128 and name N    ) (resid  128 and name CA   )
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assign (resid  128 and name C    ) (resid  129 and name N    )
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assign (resid  129 and name N    ) (resid  129 and name CA   )
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assign (resid  129 and name C    ) (resid  130 and name N    )
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assign (resid  130 and name N    ) (resid  130 and name CA   )
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assign (resid  130 and name C    ) (resid  131 and name N    )
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assign (resid  131 and name N    ) (resid  131 and name CA   )
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assign (resid  131 and name C    ) (resid  132 and name N    )
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assign (resid  132 and name N    ) (resid  132 and name CA   )
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assign (resid  132 and name C    ) (resid  133 and name N    )
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assign (resid  133 and name N    ) (resid  133 and name CA   )
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assign (resid  133 and name C    ) (resid  134 and name N    )
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assign (resid  134 and name N    ) (resid  134 and name CA   )
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assign (resid  134 and name C    ) (resid  135 and name N    )
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assign (resid  135 and name N    ) (resid  135 and name CA   )
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assign (resid  135 and name C    ) (resid  136 and name N    )
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assign (resid  136 and name N    ) (resid  136 and name CA   )
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assign (resid  136 and name C    ) (resid  137 and name N    )
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assign (resid  137 and name N    ) (resid  137 and name CA   )
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assign (resid  137 and name C    ) (resid  138 and name N    )
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assign (resid  138 and name N    ) (resid  138 and name CA   )
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assign (resid  138 and name C    ) (resid  139 and name N    )
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assign (resid  139 and name N    ) (resid  139 and name CA   )
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assign (resid  139 and name C    ) (resid  140 and name N    )
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assign (resid  140 and name N    ) (resid  140 and name CA   )
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assign (resid  140 and name C    ) (resid  141 and name N    )
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assign (resid  141 and name N    ) (resid  141 and name CA   )
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assign (resid  141 and name C    ) (resid  142 and name N    )
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assign (resid  142 and name N    ) (resid  142 and name CA   )
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assign (resid  148 and name C    ) (resid  149 and name N    )
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assign (resid  149 and name N    ) (resid  149 and name CA   )
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assign (resid  149 and name C    ) (resid  150 and name N    )
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assign (resid  150 and name N    ) (resid  150 and name CA   )
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assign (resid  150 and name C    ) (resid  151 and name N    )
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assign (resid  151 and name N    ) (resid  151 and name CA   )
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assign (resid  151 and name C    ) (resid  152 and name N    )
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assign (resid  152 and name N    ) (resid  152 and name CA   )
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assign (resid  152 and name C    ) (resid  153 and name N    )
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assign (resid  153 and name N    ) (resid  153 and name CA   )
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assign (resid  153 and name C    ) (resid  154 and name N    )
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assign (resid  154 and name N    ) (resid  154 and name CA   )
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assign (resid  154 and name C    ) (resid  155 and name N    )
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assign (resid  155 and name N    ) (resid  155 and name CA   )
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assign (resid  155 and name C    ) (resid  156 and name N    )
       (resid  156 and name CA   ) (resid  156 and name C    )    1.0  -66.0   10.0 2
assign (resid  156 and name N    ) (resid  156 and name CA   )
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assign (resid  156 and name C    ) (resid  157 and name N    )
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assign (resid  157 and name N    ) (resid  157 and name CA   )
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assign (resid  157 and name C    ) (resid  158 and name N    )
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assign (resid  158 and name N    ) (resid  158 and name CA   )
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assign (resid  158 and name C    ) (resid  159 and name N    )
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assign (resid  159 and name N    ) (resid  159 and name CA   )
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assign (resid  159 and name C    ) (resid  160 and name N    )
       (resid  160 and name CA   ) (resid  160 and name C    )    1.0  -63.0   10.0 2
assign (resid  160 and name N    ) (resid  160 and name CA   )
       (resid  160 and name C    ) (resid  161 and name N    )    1.0  -42.0   12.0 2
assign (resid  160 and name C    ) (resid  161 and name N    )
       (resid  161 and name CA   ) (resid  161 and name C    )    1.0  -63.0   10.0 2
assign (resid  161 and name N    ) (resid  161 and name CA   )
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assign (resid  161 and name C    ) (resid  162 and name N    )
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assign (resid  162 and name N    ) (resid  162 and name CA   )
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assign (resid  162 and name C    ) (resid  163 and name N    )
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assign (resid  163 and name N    ) (resid  163 and name CA   )
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assign (resid  163 and name C    ) (resid  164 and name N    )
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assign (resid  164 and name N    ) (resid  164 and name CA   )
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assign (resid  164 and name C    ) (resid  165 and name N    )
       (resid  165 and name CA   ) (resid  165 and name C    )    1.0  -65.0   10.0 2
assign (resid  165 and name N    ) (resid  165 and name CA   )
       (resid  165 and name C    ) (resid  166 and name N    )    1.0  -39.0   12.0 2
assign (resid  165 and name C    ) (resid  166 and name N    )
       (resid  166 and name CA   ) (resid  166 and name C    )    1.0  -64.0   10.0 2
assign (resid  166 and name N    ) (resid  166 and name CA   )
       (resid  166 and name C    ) (resid  167 and name N    )    1.0  -44.0   16.0 2
assign (resid  166 and name C    ) (resid  167 and name N    )
       (resid  167 and name CA   ) (resid  167 and name C    )    1.0  -61.0   10.0 2
assign (resid  167 and name N    ) (resid  167 and name CA   )
       (resid  167 and name C    ) (resid  168 and name N    )    1.0  -42.0   14.0 2
assign (resid  167 and name C    ) (resid  168 and name N    )
       (resid  168 and name CA   ) (resid  168 and name C    )    1.0  -82.0   40.0 2
assign (resid  168 and name N    ) (resid  168 and name CA   )
       (resid  168 and name C    ) (resid  169 and name N    )    1.0  -20.0   44.0 2




!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 4    and name N   )
!       ( resid 4    and name HN   )  7.87000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN   )  13.56000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN   )  -3.96000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN   )  -1.99000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 10    and name N   )
       ( resid 10    and name HN   )  -2.23000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11    and name N   )
       ( resid 11    and name HN   )  -6.28000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12    and name N   )
       ( resid 12    and name HN   )  -3.86000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 13    and name N   )
       ( resid 13    and name HN   )  -0.54000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14    and name N   )
       ( resid 14    and name HN   )  -3.58000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 16    and name N   )
!       ( resid 16    and name HN   )  -8.28000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 20    and name N   )
       ( resid 20    and name HN   )  -2.06000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 21    and name N   )
!       ( resid 21    and name HN   )  -5.30000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 22    and name N   )
!       ( resid 22    and name HN   )  12.05000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 23    and name N   )
!       ( resid 23    and name HN   )  6.35000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 24    and name N   )
!       ( resid 24    and name HN   )  0.80000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25    and name N   )
       ( resid 25    and name HN   )  -4.65000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26    and name N   )
       ( resid 26    and name HN   )  -3.83000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27    and name N   )
       ( resid 27    and name HN   )  2.79000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28    and name N   )
       ( resid 28    and name HN   )  -4.11000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29    and name N   )
       ( resid 29    and name HN   )  -4.45000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30    and name N   )
       ( resid 30    and name HN   )  1.55000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31    and name N   )
       ( resid 31    and name HN   )  -0.71000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33    and name N   )
       ( resid 33    and name HN   )  -4.26000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34    and name N   )
       ( resid 34    and name HN   )  0.45000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 36    and name N   )
       ( resid 36    and name HN   )  -6.37000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 37    and name N   )
       ( resid 37    and name HN   )  0.19000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 38    and name N   )
       ( resid 38    and name HN   )  -1.30000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39    and name N   )
       ( resid 39    and name HN   )  -3.56000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 40    and name N   )
       ( resid 40    and name HN   )  -6.60000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 41    and name N   )
       ( resid 41    and name HN   )  -0.67000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42    and name N   )
       ( resid 42    and name HN   )  -2.25000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 43    and name N   )
       ( resid 43    and name HN   )  -6.40000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44    and name N   )
       ( resid 44    and name HN   )  0.98000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 45    and name N   )
       ( resid 45    and name HN   )  7.92000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 46    and name N   )
       ( resid 46    and name HN   )  -2.62000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 48    and name N   )
       ( resid 48    and name HN   )  -0.54000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49    and name N   )
       ( resid 49    and name HN   )  -6.50000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50    and name N   )
       ( resid 50    and name HN   )  -3.91000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51    and name N   )
       ( resid 51    and name HN   )  -5.92000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52    and name N   )
       ( resid 52    and name HN   )  -6.87000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53    and name N   )
       ( resid 53    and name HN   )  -4.01000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54    and name N   )
       ( resid 54    and name HN   )  -1.98000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55    and name N   )
       ( resid 55    and name HN   )  -7.32000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 56    and name N   )
       ( resid 56    and name HN   )  -5.52000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 57    and name N   )
       ( resid 57    and name HN   )  -3.81000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 58    and name N   )
       ( resid 58    and name HN   )  -1.39000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 59    and name N   )
       ( resid 59    and name HN   )  -7.68000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 61    and name N   )
       ( resid 61    and name HN   )  -0.38000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62    and name N   )
       ( resid 62    and name HN   )  -6.81000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63    and name N   )
       ( resid 63    and name HN   )  -6.75000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 65    and name N   )
       ( resid 65    and name HN   )  -0.87000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 70    and name N   )
       ( resid 70    and name HN   )  -4.29000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 72    and name N   )
       ( resid 72    and name HN   )  1.46000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 73    and name N   )
       ( resid 73    and name HN   )  0.10000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 74    and name N   )
       ( resid 74    and name HN   )  0.06000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 75    and name N   )
       ( resid 75    and name HN   )  1.88000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 76    and name N   )
       ( resid 76    and name HN   )  1.07000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 104    and name N   )
!       ( resid 104    and name HN   )  7.87000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 106    and name N   )
       ( resid 106    and name HN   )  13.56000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 107    and name N   )
       ( resid 107    and name HN   )  -3.96000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 109    and name N   )
       ( resid 109    and name HN   )  -1.99000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 110    and name N   )
       ( resid 110    and name HN   )  -2.23000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 111    and name N   )
       ( resid 111    and name HN   )  -6.28000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 112    and name N   )
       ( resid 112    and name HN   )  -3.86000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 113    and name N   )
       ( resid 113    and name HN   )  -0.54000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 114    and name N   )
       ( resid 114    and name HN   )  -3.58000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 116    and name N   )
!       ( resid 116    and name HN   )  -8.28000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 120    and name N   )
       ( resid 120    and name HN   )  -2.06000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 121    and name N   )
!       ( resid 121    and name HN   )  -5.30000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 122    and name N   )
!       ( resid 122    and name HN   )  12.05000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 123    and name N   )
!       ( resid 123    and name HN   )  6.35000  1.5

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 124    and name N   )
!       ( resid 124    and name HN   )  0.80000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 125    and name N   )
       ( resid 125    and name HN   )  -4.65000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 126    and name N   )
       ( resid 126    and name HN   )  -3.83000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 127    and name N   )
       ( resid 127    and name HN   )  2.79000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 128    and name N   )
       ( resid 128    and name HN   )  -4.11000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 129    and name N   )
       ( resid 129    and name HN   )  -4.45000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 130    and name N   )
       ( resid 130    and name HN   )  1.55000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 131    and name N   )
       ( resid 131    and name HN   )  -0.71000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 133    and name N   )
       ( resid 133    and name HN   )  -4.26000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 134    and name N   )
       ( resid 134    and name HN   )  0.45000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 136    and name N   )
       ( resid 136    and name HN   )  -6.37000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 137    and name N   )
       ( resid 137    and name HN   )  0.19000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 138    and name N   )
       ( resid 138    and name HN   )  -1.30000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 139    and name N   )
       ( resid 139    and name HN   )  -3.56000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 140    and name N   )
       ( resid 140    and name HN   )  -6.60000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 141    and name N   )
       ( resid 141    and name HN   )  -0.67000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 142    and name N   )
       ( resid 142    and name HN   )  -2.25000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 143    and name N   )
       ( resid 143    and name HN   )  -6.40000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 144    and name N   )
       ( resid 144    and name HN   )  0.98000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 145    and name N   )
       ( resid 145    and name HN   )  7.92000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 146    and name N   )
       ( resid 146    and name HN   )  -2.62000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 148    and name N   )
       ( resid 148    and name HN   )  -0.54000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 149    and name N   )
       ( resid 149    and name HN   )  -6.50000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 150    and name N   )
       ( resid 150    and name HN   )  -3.91000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 151    and name N   )
       ( resid 151    and name HN   )  -5.92000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 152    and name N   )
       ( resid 152    and name HN   )  -6.87000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 153    and name N   )
       ( resid 153    and name HN   )  -4.01000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 154    and name N   )
       ( resid 154    and name HN   )  -1.98000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 155    and name N   )
       ( resid 155    and name HN   )  -7.32000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 156    and name N   )
       ( resid 156    and name HN   )  -5.52000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 157    and name N   )
       ( resid 157    and name HN   )  -3.81000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 158    and name N   )
       ( resid 158    and name HN   )  -1.39000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 159    and name N   )
       ( resid 159    and name HN   )  -7.68000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 161    and name N   )
       ( resid 161    and name HN   )  -0.38000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 162    and name N   )
       ( resid 162    and name HN   )  -6.81000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 163    and name N   )
       ( resid 163    and name HN   )  -6.75000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 165    and name N   )
       ( resid 165    and name HN   )  -0.87000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 170    and name N   )
       ( resid 170    and name HN   )  -4.29000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 172    and name N   )
       ( resid 172    and name HN   )  1.46000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 173    and name N   )
       ( resid 173    and name HN   )  0.10000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 174    and name N   )
       ( resid 174    and name HN   )  0.06000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 175    and name N   )
       ( resid 175    and name HN   )  1.88000  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 176    and name N   )
       ( resid 176    and name HN   )  1.07000  1.5




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1  -0.816   0.318  -8.882
    2   2H    MET   1          HT2       MET   1   0.440   0.148  -7.751
    3   3H    MET   1          HT3       MET   1   0.486  -0.718  -9.212
    4    HA   MET   1           HA       MET   1   2.005   1.116  -9.354
    5   1HB   MET   1          HB2       MET   1   0.589   0.446 -11.346
    6   2HB   MET   1          HB1       MET   1  -0.508   1.762 -10.933
    7   1HG   MET   1          HG2       MET   1   1.004   2.613 -12.595
    8   2HG   MET   1          HG1       MET   1   1.498   3.326 -11.063
    9   1HE   MET   1          HE1       MET   1   2.980   2.522 -14.061
   10   2HE   MET   1          HE2       MET   1   4.632   2.480 -13.452
   11   3HE   MET   1          HE3       MET   1   3.538   3.756 -12.923
   12    H    SER   2           HN       SER   2  -1.288   2.506  -9.250
   13    HA   SER   2           HA       SER   2  -0.332   5.037  -8.275
   14   1HB   SER   2          HB2       SER   2  -2.698   5.637  -8.173
   15   2HB   SER   2          HB1       SER   2  -2.346   4.824  -9.696
   16    HG   SER   2           HG       SER   2  -3.033   3.151  -7.619
   17    H    GLU   3           HN       GLU   3   0.671   4.826  -6.312
   18    HA   GLU   3           HA       GLU   3  -0.979   4.684  -3.993
   19   1HB   GLU   3          HB2       GLU   3   0.088   2.688  -2.973
   20   2HB   GLU   3          HB1       GLU   3  -0.874   2.285  -4.395
   21   1HG   GLU   3          HG2       GLU   3   1.203   2.329  -5.774
   22   2HG   GLU   3          HG1       GLU   3   2.140   2.628  -4.313
   23    H    LEU   4           HN       LEU   4   0.014   5.564  -2.230
   24    HA   LEU   4           HA       LEU   4   1.570   6.800  -1.071
   25   1HB   LEU   4          HB2       LEU   4   3.623   5.101  -2.507
   26   2HB   LEU   4          HB1       LEU   4   3.789   5.897  -0.945
   27    HG   LEU   4           HG       LEU   4   1.866   3.642  -1.593
   28   1HD1  LEU   4          HD11      LEU   4   4.182   2.891  -1.486
   29   2HD1  LEU   4          HD12      LEU   4   3.317   2.344  -0.049
   30   3HD1  LEU   4          HD13      LEU   4   4.411   3.724   0.051
   31   1HD2  LEU   4          HD21      LEU   4   0.801   4.924   0.103
   32   2HD2  LEU   4          HD22      LEU   4   2.325   5.291   0.911
   33   3HD2  LEU   4          HD23      LEU   4   1.649   3.667   0.996
   34    H    PHE   5           HN       PHE   5   1.033   7.131  -4.199
   35    HA   PHE   5           HA       PHE   5   3.276   8.604  -5.148
   36   1HB   PHE   5          HB2       PHE   5   1.828   9.270  -6.975
   37   2HB   PHE   5          HB1       PHE   5   1.543   7.568  -6.621
   38    HD1  PHE   5           HD2      PHE   5  -0.516   6.841  -5.454
   39    HD2  PHE   5           HD1      PHE   5   0.131  10.956  -6.504
   40    HE1  PHE   5           HE2      PHE   5  -2.914   7.321  -5.046
   41    HE2  PHE   5           HE1      PHE   5  -2.268  11.437  -6.096
   42    HZ   PHE   5           HZ       PHE   5  -3.790   9.619  -5.366
   43    H    SER   6           HN       SER   6   0.358   9.437  -3.380
   44    HA   SER   6           HA       SER   6   0.685  12.280  -3.659
   45   1HB   SER   6          HB2       SER   6  -0.940  11.037  -1.438
   46   2HB   SER   6          HB1       SER   6  -1.311  12.433  -2.445
   47    HG   SER   6           HG       SER   6  -2.018   9.902  -2.789
   48    H    VAL   7           HN       VAL   7   1.838  13.644  -2.433
   49    HA   VAL   7           HA       VAL   7   3.732  12.649  -0.552
   50    HB   VAL   7           HB       VAL   7   2.997  15.578  -0.642
   51   1HG1  VAL   7          HG11      VAL   7   5.670  14.173  -0.633
   52   2HG1  VAL   7          HG12      VAL   7   4.826  14.735   0.810
   53   3HG1  VAL   7          HG13      VAL   7   5.372  15.895  -0.401
   54   1HG2  VAL   7          HG21      VAL   7   4.460  15.771  -2.700
   55   2HG2  VAL   7          HG22      VAL   7   2.887  15.034  -2.986
   56   3HG2  VAL   7          HG23      VAL   7   4.327  14.023  -2.876
   57    HA   PRO   8           HA       PRO   8   0.587  14.913   2.552
   58   1HB   PRO   8          HB2       PRO   8  -1.850  13.677   1.275
   59   2HB   PRO   8          HB1       PRO   8  -1.694  15.233   2.120
   60   1HG   PRO   8          HG2       PRO   8  -1.854  15.125  -0.539
   61   2HG   PRO   8          HG1       PRO   8  -0.783  16.294   0.261
   62   1HD   PRO   8          HD2       PRO   8  -0.066  13.762  -1.142
   63   2HD   PRO   8          HD1       PRO   8   0.846  15.257  -1.052
   64    H    TYR   9           HN       TYR   9   0.473  11.768   1.026
   65    HA   TYR   9           HA       TYR   9  -0.717  10.259   3.076
   66   1HB   TYR   9          HB2       TYR   9  -0.259   9.406   0.783
   67   2HB   TYR   9          HB1       TYR   9   1.465   9.396   1.155
   68    HD1  TYR   9           HD1      TYR   9  -1.824   7.934   2.049
   69    HD2  TYR   9           HD2      TYR   9   2.434   7.665   2.552
   70    HE1  TYR   9           HE1      TYR   9  -2.091   5.715   3.122
   71    HE2  TYR   9           HE2      TYR   9   2.167   5.446   3.625
   72    HH   TYR   9           HH       TYR   9  -0.375   4.349   4.962
   73    H    PHE  10           HN       PHE  10   2.639  11.250   2.542
   74    HA   PHE  10           HA       PHE  10   3.835   9.764   4.615
   75   1HB   PHE  10          HB2       PHE  10   4.547  12.202   3.026
   76   2HB   PHE  10          HB1       PHE  10   5.443  11.963   4.523
   77    HD1  PHE  10           HD1      PHE  10   4.080   9.394   2.157
   78    HD2  PHE  10           HD2      PHE  10   7.593  11.245   3.800
   79    HE1  PHE  10           HE1      PHE  10   5.496   7.695   1.044
   80    HE2  PHE  10           HE2      PHE  10   9.006   9.542   2.685
   81    HZ   PHE  10           HZ       PHE  10   7.965   7.772   1.312
   82    H    ILE  11           HN       ILE  11   2.338  12.983   4.626
   83    HA   ILE  11           HA       ILE  11   2.989  13.617   7.307
   84    HB   ILE  11           HB       ILE  11   0.612  14.598   5.705
   85   1HG1  ILE  11          HG12      ILE  11   3.445  15.668   5.828
   86   2HG1  ILE  11          HG11      ILE  11   2.762  14.821   4.456
   87   1HG2  ILE  11          HG21      ILE  11   0.622  15.151   8.143
   88   2HG2  ILE  11          HG22      ILE  11   0.827  16.578   7.144
   89   3HG2  ILE  11          HG23      ILE  11   2.220  15.865   7.951
   90   1HD1  ILE  11          HD11      ILE  11   2.581  17.169   3.991
   91   2HD1  ILE  11          HD12      ILE  11   1.878  17.484   5.576
   92   3HD1  ILE  11          HD13      ILE  11   0.960  16.586   4.367
   93    H    GLU  12           HN       GLU  12   0.139  12.129   5.812
   94    HA   GLU  12           HA       GLU  12  -1.567  11.977   7.992
   95   1HB   GLU  12          HB2       GLU  12  -1.105  10.016   5.730
   96   2HB   GLU  12          HB1       GLU  12  -2.421   9.841   6.888
   97   1HG   GLU  12          HG2       GLU  12  -1.989  12.351   5.245
   98   2HG   GLU  12          HG1       GLU  12  -3.041  11.036   4.736
   99    H    ASN  13           HN       ASN  13   1.322  10.101   7.329
  100    HA   ASN  13           HA       ASN  13   0.858   8.055   9.268
  101   1HB   ASN  13          HB2       ASN  13   3.462   9.050   8.089
  102   2HB   ASN  13          HB1       ASN  13   3.240   7.546   8.978
  103   1HD2  ASN  13          HD21      ASN  13   4.086   7.791   6.146
  104   2HD2  ASN  13          HD22      ASN  13   2.901   6.991   5.230
  105    H    LEU  14           HN       LEU  14   2.371  11.230   9.340
  106    HA   LEU  14           HA       LEU  14   3.581  11.011  11.902
  107   1HB   LEU  14          HB2       LEU  14   2.623  13.543  10.543
  108   2HB   LEU  14          HB1       LEU  14   3.899  13.391  11.752
  109    HG   LEU  14           HG       LEU  14   3.947  12.171   8.976
  110   1HD1  LEU  14          HD11      LEU  14   5.595  13.824   8.439
  111   2HD1  LEU  14          HD12      LEU  14   5.613  14.434  10.088
  112   3HD1  LEU  14          HD13      LEU  14   4.184  14.667   9.076
  113   1HD2  LEU  14          HD21      LEU  14   5.266  10.732  10.286
  114   2HD2  LEU  14          HD22      LEU  14   5.844  12.035  11.328
  115   3HD2  LEU  14          HD23      LEU  14   6.443  11.888   9.685
  116    H    LYS  15           HN       LYS  15   0.424  12.112  10.787
  117    HA   LYS  15           HA       LYS  15  -0.521  13.271  13.126
  118   1HB   LYS  15          HB2       LYS  15  -1.685  13.338  10.936
  119   2HB   LYS  15          HB1       LYS  15  -2.116  11.641  11.152
  120   1HG   LYS  15          HG2       LYS  15  -3.417  12.148  13.126
  121   2HG   LYS  15          HG1       LYS  15  -2.845  13.815  13.136
  122   1HD   LYS  15          HD2       LYS  15  -5.097  13.733  12.199
  123   2HD   LYS  15          HD1       LYS  15  -3.949  14.198  10.948
  124   1HE   LYS  15          HE2       LYS  15  -4.059  12.070   9.901
  125   2HE   LYS  15          HE1       LYS  15  -4.763  11.303  11.326
  126   1HZ   LYS  15          HZ1       LYS  15  -6.134  13.456   9.824
  127   2HZ   LYS  15          HZ2       LYS  15  -6.797  12.394  10.973
  128   3HZ   LYS  15          HZ3       LYS  15  -6.329  11.814   9.446
  129    H    GLN  16           HN       GLN  16  -0.328   9.887  12.162
  130    HA   GLN  16           HA       GLN  16  -1.864   8.845  14.332
  131   1HB   GLN  16          HB2       GLN  16  -1.466   7.581  12.246
  132   2HB   GLN  16          HB1       GLN  16   0.249   7.480  12.647
  133   1HG   GLN  16          HG2       GLN  16  -0.227   6.190  14.643
  134   2HG   GLN  16          HG1       GLN  16  -1.959   6.437  14.442
  135   1HE2  GLN  16          HE21      GLN  16  -1.948   3.948  14.459
  136   2HE2  GLN  16          HE22      GLN  16  -1.662   3.157  12.984
  137    H    HIS  17           HN       HIS  17   1.556   9.540  13.847
  138    HA   HIS  17           HA       HIS  17   2.564   8.210  16.116
  139   1HB   HIS  17          HB2       HIS  17   3.579  10.755  14.830
  140   2HB   HIS  17          HB1       HIS  17   4.497   9.687  15.890
  141    HD1  HIS  17           HD1      HIS  17   5.602  10.067  13.099
  142    HD2  HIS  17           HD2      HIS  17   2.828   7.092  14.010
  143    HE1  HIS  17           HE1      HIS  17   5.843   8.292  11.310
  144    HE2  HIS  17           HE2      HIS  17   4.159   6.470  11.853
  145    H    ILE  18           HN       ILE  18   1.585  11.618  15.707
  146    HA   ILE  18           HA       ILE  18   1.943  12.267  18.479
  147    HB   ILE  18           HB       ILE  18   0.839  14.392  17.885
  148   1HG1  ILE  18          HG12      ILE  18   0.332  12.976  15.257
  149   2HG1  ILE  18          HG11      ILE  18  -0.889  13.587  16.362
  150   1HG2  ILE  18          HG21      ILE  18   2.716  13.572  15.645
  151   2HG2  ILE  18          HG22      ILE  18   3.262  13.873  17.288
  152   3HG2  ILE  18          HG23      ILE  18   2.527  15.170  16.366
  153   1HD1  ILE  18          HD11      ILE  18  -0.772  15.230  14.669
  154   2HD1  ILE  18          HD12      ILE  18   0.990  15.173  14.625
  155   3HD1  ILE  18          HD13      ILE  18   0.168  15.902  16.004
  156    H    GLU  19           HN       GLU  19  -0.869  11.502  16.453
  157    HA   GLU  19           HA       GLU  19  -2.824  11.901  18.480
  158   1HB   GLU  19          HB2       GLU  19  -3.291  11.789  16.011
  159   2HB   GLU  19          HB1       GLU  19  -3.009  10.052  16.084
  160   1HG   GLU  19          HG2       GLU  19  -5.387  10.394  16.250
  161   2HG   GLU  19          HG1       GLU  19  -4.834   9.931  17.853
  162    H    MET  20           HN       MET  20  -1.320   8.931  17.203
  163    HA   MET  20           HA       MET  20  -2.259   7.446  19.591
  164   1HB   MET  20          HB2       MET  20  -1.159   6.380  16.974
  165   2HB   MET  20          HB1       MET  20  -1.852   5.435  18.285
  166   1HG   MET  20          HG2       MET  20  -3.998   6.669  17.998
  167   2HG   MET  20          HG1       MET  20  -3.299   7.497  16.607
  168   1HE   MET  20          HE1       MET  20  -5.560   6.639  15.691
  169   2HE   MET  20          HE2       MET  20  -5.492   5.310  14.538
  170   3HE   MET  20          HE3       MET  20  -4.374   6.664  14.378
  171    H    ASN  21           HN       ASN  21  -0.353   5.366  19.286
  172    HA   ASN  21           HA       ASN  21   2.260   6.650  19.790
  173   1HB   ASN  21          HB2       ASN  21   1.008   6.442  21.969
  174   2HB   ASN  21          HB1       ASN  21   1.010   4.695  21.738
  175   1HD2  ASN  21          HD21      ASN  21   2.567   3.949  23.223
  176   2HD2  ASN  21          HD22      ASN  21   4.151   4.549  23.325
  177    H    GLN  22           HN       GLN  22   2.113   5.451  17.543
  178    HA   GLN  22           HA       GLN  22   2.369   2.592  17.599
  179   1HB   GLN  22          HB2       GLN  22   1.691   4.143  15.653
  180   2HB   GLN  22          HB1       GLN  22   3.411   4.365  15.391
  181   1HG   GLN  22          HG2       GLN  22   2.802   2.529  13.977
  182   2HG   GLN  22          HG1       GLN  22   3.593   1.793  15.366
  183   1HE2  GLN  22          HE21      GLN  22   0.258   2.831  14.444
  184   2HE2  GLN  22          HE22      GLN  22  -0.502   1.465  15.103
  185    H    SER  23           HN       SER  23   4.079   3.766  19.484
  186    HA   SER  23           HA       SER  23   6.176   3.340  20.308
  187   1HB   SER  23          HB2       SER  23   7.540   1.725  19.305
  188   2HB   SER  23          HB1       SER  23   5.976   1.326  18.599
  189    HG   SER  23           HG       SER  23   8.246   2.331  17.435
  190    H    GLU  24           HN       GLU  24   5.623   5.843  19.575
  191    HA   GLU  24           HA       GLU  24   8.205   6.809  18.563
  192   1HB   GLU  24          HB2       GLU  24   6.278   6.644  16.751
  193   2HB   GLU  24          HB1       GLU  24   5.692   8.118  17.507
  194   1HG   GLU  24          HG2       GLU  24   7.154   8.863  15.759
  195   2HG   GLU  24          HG1       GLU  24   8.082   9.050  17.245
  196    H    ASP  25           HN       ASP  25   6.657   9.489  18.380
  197    HA   ASP  25           HA       ASP  25   6.174  10.079  21.214
  198   1HB   ASP  25          HB2       ASP  25   8.400  11.363  19.618
  199   2HB   ASP  25          HB1       ASP  25   7.864  11.889  21.215
  200    H    LYS  26           HN       LYS  26   6.312  12.820  21.056
  201    HA   LYS  26           HA       LYS  26   3.923  13.369  19.482
  202   1HB   LYS  26          HB2       LYS  26   4.221  14.163  21.831
  203   2HB   LYS  26          HB1       LYS  26   5.487  15.246  21.273
  204   1HG   LYS  26          HG2       LYS  26   3.889  16.355  19.759
  205   2HG   LYS  26          HG1       LYS  26   2.627  15.224  20.247
  206   1HD   LYS  26          HD2       LYS  26   2.828  16.034  22.585
  207   2HD   LYS  26          HD1       LYS  26   4.062  17.185  22.069
  208   1HE   LYS  26          HE2       LYS  26   1.789  18.210  22.216
  209   2HE   LYS  26          HE1       LYS  26   2.476  18.295  20.596
  210   1HZ   LYS  26          HZ1       LYS  26   0.043  17.340  21.138
  211   2HZ   LYS  26          HZ2       LYS  26   0.952  15.905  21.174
  212   3HZ   LYS  26          HZ3       LYS  26   0.956  16.882  19.784
  213    H    ILE  27           HN       ILE  27   6.013  16.055  19.839
  214    HA   ILE  27           HA       ILE  27   6.017  16.625  17.074
  215    HB   ILE  27           HB       ILE  27   7.767  17.696  19.305
  216   1HG1  ILE  27          HG12      ILE  27   5.157  18.587  18.012
  217   2HG1  ILE  27          HG11      ILE  27   5.456  18.220  19.706
  218   1HG2  ILE  27          HG21      ILE  27   8.380  19.515  17.785
  219   2HG2  ILE  27          HG22      ILE  27   7.326  18.878  16.529
  220   3HG2  ILE  27          HG23      ILE  27   8.780  18.007  16.984
  221   1HD1  ILE  27          HD11      ILE  27   6.309  20.611  18.106
  222   2HD1  ILE  27          HD12      ILE  27   7.160  20.181  19.593
  223   3HD1  ILE  27          HD13      ILE  27   5.442  20.567  19.643
  224    H    HIS  28           HN       HIS  28   8.431  15.140  19.208
  225    HA   HIS  28           HA       HIS  28  10.548  15.048  17.381
  226   1HB   HIS  28          HB2       HIS  28   9.822  13.212  19.669
  227   2HB   HIS  28          HB1       HIS  28  11.332  13.085  18.776
  228    HD1  HIS  28           HD1      HIS  28   9.472  15.313  21.170
  229    HD2  HIS  28           HD2      HIS  28  13.203  15.152  19.316
  230    HE1  HIS  28           HE1      HIS  28  10.917  17.048  22.317
  231    HE2  HIS  28           HE2      HIS  28  13.195  16.962  21.197
  232    H    ALA  29           HN       ALA  29   7.549  13.647  17.092
  233    HA   ALA  29           HA       ALA  29   8.107  11.112  15.994
  234   1HB   ALA  29          HB1       ALA  29   5.905  11.333  14.894
  235   2HB   ALA  29          HB2       ALA  29   5.859  13.033  15.354
  236   3HB   ALA  29          HB3       ALA  29   5.836  11.782  16.594
  237    H    MET  30           HN       MET  30   7.806  14.319  14.476
  238    HA   MET  30           HA       MET  30   8.183  13.410  11.832
  239   1HB   MET  30          HB2       MET  30   8.619  15.711  11.266
  240   2HB   MET  30          HB1       MET  30   7.312  15.663  12.444
  241   1HG   MET  30          HG2       MET  30   8.644  17.350  13.369
  242   2HG   MET  30          HG1       MET  30   9.311  15.955  14.182
  243   1HE   MET  30          HE1       MET  30  11.142  17.349  14.820
  244   2HE   MET  30          HE2       MET  30  11.045  18.788  13.810
  245   3HE   MET  30          HE3       MET  30  12.522  17.829  13.825
  246    H    ASN  31           HN       ASN  31  10.470  14.631  14.273
  247    HA   ASN  31           HA       ASN  31  12.765  14.689  12.709
  248   1HB   ASN  31          HB2       ASN  31  12.624  15.483  15.055
  249   2HB   ASN  31          HB1       ASN  31  12.593  13.807  15.595
  250   1HD2  ASN  31          HD21      ASN  31  14.648  13.856  16.670
  251   2HD2  ASN  31          HD22      ASN  31  16.109  14.058  15.831
  252    H    SER  32           HN       SER  32  11.505  11.954  14.624
  253    HA   SER  32           HA       SER  32  13.501  10.100  13.843
  254   1HB   SER  32          HB2       SER  32  11.885   8.393  14.611
  255   2HB   SER  32          HB1       SER  32  12.049   9.720  15.762
  256    HG   SER  32           HG       SER  32   9.850   8.863  14.657
  257    H    TYR  33           HN       TYR  33  10.197  10.614  12.596
  258    HA   TYR  33           HA       TYR  33  10.430   8.702  10.488
  259   1HB   TYR  33          HB2       TYR  33   8.249   9.369  11.339
  260   2HB   TYR  33          HB1       TYR  33   8.543  11.047  10.873
  261    HD1  TYR  33           HD1      TYR  33   8.656  11.696   8.498
  262    HD2  TYR  33           HD2      TYR  33   7.672   7.681   9.666
  263    HE1  TYR  33           HE1      TYR  33   7.813  11.233   6.208
  264    HE2  TYR  33           HE2      TYR  33   6.827   7.218   7.378
  265    HH   TYR  33           HH       TYR  33   5.934   8.526   5.450
  266    H    TYR  34           HN       TYR  34  11.456  11.984  10.871
  267    HA   TYR  34           HA       TYR  34  11.567  12.659   8.074
  268   1HB   TYR  34          HB2       TYR  34  11.395  14.428   9.760
  269   2HB   TYR  34          HB1       TYR  34  12.931  13.926  10.466
  270    HD1  TYR  34           HD2      TYR  34  15.044  14.192   9.157
  271    HD2  TYR  34           HD1      TYR  34  11.286  15.763   7.772
  272    HE1  TYR  34           HE2      TYR  34  16.245  15.626   7.530
  273    HE2  TYR  34           HE1      TYR  34  12.496  17.193   6.141
  274    HH   TYR  34           HH       TYR  34  15.973  17.526   6.208
  275    H    ARG  35           HN       ARG  35  14.099  11.966  10.502
  276    HA   ARG  35           HA       ARG  35  16.227  11.869   8.707
  277   1HB   ARG  35          HB2       ARG  35  17.448  10.718  10.447
  278   2HB   ARG  35          HB1       ARG  35  16.521  12.052  11.133
  279   1HG   ARG  35          HG2       ARG  35  14.722  10.392  11.697
  280   2HG   ARG  35          HG1       ARG  35  15.801   9.102  11.198
  281   1HD   ARG  35          HD2       ARG  35  16.399  11.135  13.361
  282   2HD   ARG  35          HD1       ARG  35  15.845   9.494  13.644
  283    HE   ARG  35           HE       ARG  35  17.938   8.664  12.977
  284   1HH1  ARG  35          HH21      ARG  35  17.714  12.095  12.582
  285   2HH1  ARG  35          HH22      ARG  35  19.418  12.314  12.368
  286   1HH2  ARG  35          HH11      ARG  35  20.165   8.946  12.706
  287   2HH2  ARG  35          HH12      ARG  35  20.804  10.532  12.436
  288    H    SER  36           HN       SER  36  13.741   9.588   9.458
  289    HA   SER  36           HA       SER  36  15.082   7.241   8.508
  290   1HB   SER  36          HB2       SER  36  13.259   6.862   9.987
  291   2HB   SER  36          HB1       SER  36  12.192   7.913   9.058
  292    HG   SER  36           HG       SER  36  13.385   5.629   7.905
  293    H    VAL  37           HN       VAL  37  12.701   9.473   7.099
  294    HA   VAL  37           HA       VAL  37  12.508   8.096   4.606
  295    HB   VAL  37           HB       VAL  37  11.880  10.926   5.483
  296   1HG1  VAL  37          HG11      VAL  37  12.440  11.267   3.185
  297   2HG1  VAL  37          HG12      VAL  37  10.687  11.124   3.213
  298   3HG1  VAL  37          HG13      VAL  37  11.677   9.757   2.691
  299   1HG2  VAL  37          HG21      VAL  37  10.176   8.560   4.628
  300   2HG2  VAL  37          HG22      VAL  37   9.553  10.162   5.003
  301   3HG2  VAL  37          HG23      VAL  37  10.341   9.212   6.260
  302    H    VAL  38           HN       VAL  38  14.097  11.230   5.289
  303    HA   VAL  38           HA       VAL  38  15.441  11.575   2.919
  304    HB   VAL  38           HB       VAL  38  17.075  12.914   4.142
  305   1HG1  VAL  38          HG11      VAL  38  14.382  13.147   5.519
  306   2HG1  VAL  38          HG12      VAL  38  14.693  13.725   3.884
  307   3HG1  VAL  38          HG13      VAL  38  15.557  14.430   5.247
  308   1HG2  VAL  38          HG21      VAL  38  17.678  11.501   5.975
  309   2HG2  VAL  38          HG22      VAL  38  16.005  11.363   6.510
  310   3HG2  VAL  38          HG23      VAL  38  16.874  12.891   6.708
  311    H    SER  39           HN       SER  39  16.449   9.561   5.663
  312    HA   SER  39           HA       SER  39  18.982   8.829   4.712
  313   1HB   SER  39          HB2       SER  39  16.998   7.408   6.488
  314   2HB   SER  39          HB1       SER  39  18.593   6.744   6.142
  315    HG   SER  39           HG       SER  39  18.939   9.274   6.756
  316    H    THR  40           HN       THR  40  15.768   7.482   4.076
  317    HA   THR  40           HA       THR  40  16.738   5.282   2.501
  318    HB   THR  40           HB       THR  40  13.969   6.506   2.661
  319    HG1  THR  40           HG1      THR  40  14.099   5.618   4.558
  320   1HG2  THR  40          HG21      THR  40  13.310   4.198   1.851
  321   2HG2  THR  40          HG22      THR  40  15.014   3.906   1.505
  322   3HG2  THR  40          HG23      THR  40  14.145   5.184   0.651
  323    H    LEU  41           HN       LEU  41  15.323   8.465   1.780
  324    HA   LEU  41           HA       LEU  41  15.197   8.231  -1.001
  325   1HB   LEU  41          HB2       LEU  41  15.740  10.692   0.669
  326   2HB   LEU  41          HB1       LEU  41  15.240  10.699  -1.020
  327    HG   LEU  41           HG       LEU  41  13.653   9.536   1.289
  328   1HD1  LEU  41          HD11      LEU  41  13.253  12.034  -0.374
  329   2HD1  LEU  41          HD12      LEU  41  13.727  11.981   1.317
  330   3HD1  LEU  41          HD13      LEU  41  12.122  11.434   0.834
  331   1HD2  LEU  41          HD21      LEU  41  11.833   9.652  -0.683
  332   2HD2  LEU  41          HD22      LEU  41  12.883   8.254  -0.501
  333   3HD2  LEU  41          HD23      LEU  41  13.270   9.488  -1.694
  334    H    VAL  42           HN       VAL  42  17.911   8.584   1.082
  335    HA   VAL  42           HA       VAL  42  19.695   9.400  -1.119
  336    HB   VAL  42           HB       VAL  42  20.186   8.926   1.835
  337   1HG1  VAL  42          HG11      VAL  42  22.431  10.037   1.271
  338   2HG1  VAL  42          HG12      VAL  42  22.066   9.694  -0.421
  339   3HG1  VAL  42          HG13      VAL  42  22.240   8.368   0.728
  340   1HG2  VAL  42          HG21      VAL  42  20.360  11.332   1.962
  341   2HG2  VAL  42          HG22      VAL  42  18.872  10.979   1.085
  342   3HG2  VAL  42          HG23      VAL  42  20.310  11.488   0.207
  343    H    GLN  43           HN       GLN  43  18.795   6.568   0.731
  344    HA   GLN  43           HA       GLN  43  21.048   4.993  -0.320
  345   1HB   GLN  43          HB2       GLN  43  20.278   4.700   2.025
  346   2HB   GLN  43          HB1       GLN  43  18.723   4.130   1.419
  347   1HG   GLN  43          HG2       GLN  43  19.779   2.247   0.306
  348   2HG   GLN  43          HG1       GLN  43  21.383   2.859   0.707
  349   1HE2  GLN  43          HE21      GLN  43  22.283   1.836   2.476
  350   2HE2  GLN  43          HE22      GLN  43  21.410   1.171   3.771
  351    H    ASP  44           HN       ASP  44  17.549   5.269  -0.656
  352    HA   ASP  44           HA       ASP  44  16.835   3.071  -2.100
  353   1HB   ASP  44          HB2       ASP  44  15.231   4.539  -3.324
  354   2HB   ASP  44          HB1       ASP  44  15.218   4.784  -1.579
  355    H    GLN  45           HN       GLN  45  18.002   6.082  -3.638
  356    HA   GLN  45           HA       GLN  45  19.689   4.694  -5.472
  357   1HB   GLN  45          HB2       GLN  45  18.458   5.149  -7.512
  358   2HB   GLN  45          HB1       GLN  45  17.454   4.182  -6.432
  359   1HG   GLN  45          HG2       GLN  45  16.468   6.447  -5.621
  360   2HG   GLN  45          HG1       GLN  45  17.228   7.148  -7.047
  361   1HE2  GLN  45          HE21      GLN  45  15.468   7.526  -8.413
  362   2HE2  GLN  45          HE22      GLN  45  14.361   6.332  -8.893
  363    H    LEU  46           HN       LEU  46  21.295   6.035  -5.854
  364    HA   LEU  46           HA       LEU  46  20.935   8.930  -5.436
  365   1HB   LEU  46          HB2       LEU  46  23.475   7.345  -5.913
  366   2HB   LEU  46          HB1       LEU  46  23.353   9.031  -5.417
  367    HG   LEU  46           HG       LEU  46  21.840   7.885  -3.443
  368   1HD1  LEU  46          HD11      LEU  46  22.282   5.581  -4.331
  369   2HD1  LEU  46          HD12      LEU  46  22.846   5.812  -2.679
  370   3HD1  LEU  46          HD13      LEU  46  24.000   5.828  -4.011
  371   1HD2  LEU  46          HD21      LEU  46  23.699   9.390  -3.006
  372   2HD2  LEU  46          HD22      LEU  46  24.863   8.148  -3.467
  373   3HD2  LEU  46          HD23      LEU  46  23.886   7.945  -2.011
  374    H    THR  47           HN       THR  47  19.624   8.231  -7.671
  375    HA   THR  47           HA       THR  47  21.100   8.124 -10.050
  376    HB   THR  47           HB       THR  47  18.754   7.603 -10.084
  377    HG1  THR  47           HG1      THR  47  19.226   8.424 -12.010
  378   1HG2  THR  47          HG21      THR  47  17.055   9.322  -9.628
  379   2HG2  THR  47          HG22      THR  47  18.325  10.471  -9.214
  380   3HG2  THR  47          HG23      THR  47  18.066   9.047  -8.214
  381    H    LYS  48           HN       LYS  48  20.202  10.782  -7.985
  382    HA   LYS  48           HA       LYS  48  22.145  12.508  -9.148
  383   1HB   LYS  48          HB2       LYS  48  20.251  12.576 -10.849
  384   2HB   LYS  48          HB1       LYS  48  19.278  13.326  -9.603
  385   1HG   LYS  48          HG2       LYS  48  20.116  15.233 -10.640
  386   2HG   LYS  48          HG1       LYS  48  21.342  14.998  -9.402
  387   1HD   LYS  48          HD2       LYS  48  22.674  13.667 -11.114
  388   2HD   LYS  48          HD1       LYS  48  21.490  14.168 -12.315
  389   1HE   LYS  48          HE2       LYS  48  23.125  16.066 -10.609
  390   2HE   LYS  48          HE1       LYS  48  23.485  15.649 -12.287
  391   1HZ   LYS  48          HZ1       LYS  48  21.435  16.578 -12.993
  392   2HZ   LYS  48          HZ2       LYS  48  22.187  17.733 -11.999
  393   3HZ   LYS  48          HZ3       LYS  48  20.901  16.798 -11.400
  394    H    ASN  49           HN       ASN  49  22.808  13.827  -7.583
  395    HA   ASN  49           HA       ASN  49  21.829  13.865  -5.004
  396   1HB   ASN  49          HB2       ASN  49  23.014  16.155  -4.860
  397   2HB   ASN  49          HB1       ASN  49  23.992  14.769  -5.340
  398   1HD2  ASN  49          HD21      ASN  49  25.462  16.230  -6.505
  399   2HD2  ASN  49          HD22      ASN  49  25.013  16.880  -8.007
  400    H    ALA  50           HN       ALA  50  20.819  15.791  -7.775
  401    HA   ALA  50           HA       ALA  50  19.206  17.630  -6.264
  402   1HB   ALA  50          HB1       ALA  50  19.012  16.867  -9.187
  403   2HB   ALA  50          HB2       ALA  50  20.023  18.155  -8.535
  404   3HB   ALA  50          HB3       ALA  50  18.268  18.274  -8.429
  405    H    VAL  51           HN       VAL  51  18.438  14.749  -8.230
  406    HA   VAL  51           HA       VAL  51  15.680  14.670  -7.998
  407    HB   VAL  51           HB       VAL  51  17.753  12.476  -8.041
  408   1HG1  VAL  51          HG11      VAL  51  14.764  12.135  -7.682
  409   2HG1  VAL  51          HG12      VAL  51  16.074  11.339  -6.807
  410   3HG1  VAL  51          HG13      VAL  51  15.736  10.894  -8.472
  411   1HG2  VAL  51          HG21      VAL  51  17.063  12.179 -10.303
  412   2HG2  VAL  51          HG22      VAL  51  17.063  13.930 -10.084
  413   3HG2  VAL  51          HG23      VAL  51  15.546  13.038 -10.045
  414    H    VAL  52           HN       VAL  52  18.069  13.683  -5.571
  415    HA   VAL  52           HA       VAL  52  15.998  12.869  -3.695
  416    HB   VAL  52           HB       VAL  52  17.912  12.508  -2.151
  417   1HG1  VAL  52          HG11      VAL  52  18.897  10.653  -3.473
  418   2HG1  VAL  52          HG12      VAL  52  18.185  11.338  -4.935
  419   3HG1  VAL  52          HG13      VAL  52  17.143  10.725  -3.652
  420   1HG2  VAL  52          HG21      VAL  52  19.405  14.266  -3.012
  421   2HG2  VAL  52          HG22      VAL  52  19.535  13.406  -4.548
  422   3HG2  VAL  52          HG23      VAL  52  20.198  12.694  -3.085
  423    H    LEU  53           HN       LEU  53  18.065  15.642  -4.278
  424    HA   LEU  53           HA       LEU  53  17.694  16.921  -1.788
  425   1HB   LEU  53          HB2       LEU  53  19.268  17.481  -3.897
  426   2HB   LEU  53          HB1       LEU  53  18.009  18.630  -4.241
  427    HG   LEU  53           HG       LEU  53  19.701  19.722  -2.917
  428   1HD1  LEU  53          HD11      LEU  53  17.503  19.105  -0.949
  429   2HD1  LEU  53          HD12      LEU  53  17.190  20.056  -2.404
  430   3HD1  LEU  53          HD13      LEU  53  18.346  20.628  -1.209
  431   1HD2  LEU  53          HD21      LEU  53  20.252  17.251  -1.795
  432   2HD2  LEU  53          HD22      LEU  53  19.393  18.026  -0.472
  433   3HD2  LEU  53          HD23      LEU  53  20.830  18.782  -1.151
  434    H    LYS  54           HN       LYS  54  15.946  17.257  -4.850
  435    HA   LYS  54           HA       LYS  54  14.145  19.248  -4.007
  436   1HB   LYS  54          HB2       LYS  54  12.691  18.306  -5.889
  437   2HB   LYS  54          HB1       LYS  54  14.303  18.847  -6.342
  438   1HG   LYS  54          HG2       LYS  54  14.884  16.763  -7.079
  439   2HG   LYS  54          HG1       LYS  54  14.458  16.059  -5.540
  440   1HD   LYS  54          HD2       LYS  54  13.104  14.946  -7.145
  441   2HD   LYS  54          HD1       LYS  54  12.019  16.076  -6.337
  442   1HE   LYS  54          HE2       LYS  54  11.686  16.221  -8.751
  443   2HE   LYS  54          HE1       LYS  54  12.440  17.711  -8.185
  444   1HZ   LYS  54          HZ1       LYS  54  14.477  17.123  -9.038
  445   2HZ   LYS  54          HZ2       LYS  54  13.426  16.512 -10.225
  446   3HZ   LYS  54          HZ3       LYS  54  14.118  15.466  -9.078
  447    H    ARG  55           HN       ARG  55  14.006  15.711  -3.831
  448    HA   ARG  55           HA       ARG  55  11.355  15.543  -2.842
  449   1HB   ARG  55          HB2       ARG  55  13.717  13.659  -2.656
  450   2HB   ARG  55          HB1       ARG  55  12.108  13.252  -2.057
  451   1HG   ARG  55          HG2       ARG  55  11.162  13.605  -4.295
  452   2HG   ARG  55          HG1       ARG  55  12.748  14.043  -4.911
  453   1HD   ARG  55          HD2       ARG  55  12.377  11.728  -5.478
  454   2HD   ARG  55          HD1       ARG  55  13.566  11.761  -4.179
  455    HE   ARG  55           HE       ARG  55  11.054  11.549  -2.978
  456   1HH1  ARG  55          HH21      ARG  55  13.086   9.775  -5.146
  457   2HH1  ARG  55          HH22      ARG  55  12.489   8.224  -4.656
  458   1HH2  ARG  55          HH11      ARG  55  10.258   9.521  -2.339
  459   2HH2  ARG  55          HH12      ARG  55  10.888   8.080  -3.067
  460    H    ILE  56           HN       ILE  56  14.513  15.818  -1.267
  461    HA   ILE  56           HA       ILE  56  13.573  15.473   1.391
  462    HB   ILE  56           HB       ILE  56  16.026  16.827   0.251
  463   1HG1  ILE  56          HG12      ILE  56  15.786  14.227   1.802
  464   2HG1  ILE  56          HG11      ILE  56  15.704  14.296   0.051
  465   1HG2  ILE  56          HG21      ILE  56  15.204  16.399   3.139
  466   2HG2  ILE  56          HG22      ILE  56  15.753  17.888   2.370
  467   3HG2  ILE  56          HG23      ILE  56  16.895  16.586   2.672
  468   1HD1  ILE  56          HD11      ILE  56  17.995  15.310   1.730
  469   2HD1  ILE  56          HD12      ILE  56  17.909  15.362  -0.027
  470   3HD1  ILE  56          HD13      ILE  56  17.995  13.811   0.804
  471    H    GLN  57           HN       GLN  57  14.198  18.376  -0.579
  472    HA   GLN  57           HA       GLN  57  13.587  20.296   1.364
  473   1HB   GLN  57          HB2       GLN  57  13.363  20.319  -1.657
  474   2HB   GLN  57          HB1       GLN  57  12.998  21.743  -0.682
  475   1HG   GLN  57          HG2       GLN  57  15.609  20.244  -0.462
  476   2HG   GLN  57          HG1       GLN  57  15.390  21.592  -1.567
  477   1HE2  GLN  57          HE21      GLN  57  14.913  23.735  -0.580
  478   2HE2  GLN  57          HE22      GLN  57  15.359  24.041   1.029
  479    H    HIS  58           HN       HIS  58  11.530  18.396  -0.758
  480    HA   HIS  58           HA       HIS  58   9.134  19.843  -0.233
  481   1HB   HIS  58          HB2       HIS  58   9.525  16.980  -1.143
  482   2HB   HIS  58          HB1       HIS  58   8.011  17.883  -1.202
  483    HD1  HIS  58           HD1      HIS  58   8.980  16.969  -3.875
  484    HD2  HIS  58           HD2      HIS  58  10.292  20.552  -2.193
  485    HE1  HIS  58           HE1      HIS  58   9.823  18.395  -5.790
  486    HE2  HIS  58           HE2      HIS  58  10.624  20.583  -4.781
  487    H    LEU  59           HN       LEU  59  10.642  16.954   1.170
  488    HA   LEU  59           HA       LEU  59   8.579  16.155   2.854
  489   1HB   LEU  59          HB2       LEU  59  10.739  14.918   2.485
  490   2HB   LEU  59          HB1       LEU  59  11.525  16.084   3.544
  491    HG   LEU  59           HG       LEU  59   9.913  15.453   5.367
  492   1HD1  LEU  59          HD11      LEU  59   8.000  14.515   4.431
  493   2HD1  LEU  59          HD12      LEU  59   8.856  13.058   4.906
  494   3HD1  LEU  59          HD13      LEU  59   8.897  13.592   3.228
  495   1HD2  LEU  59          HD21      LEU  59  12.124  14.485   5.351
  496   2HD2  LEU  59          HD22      LEU  59  11.634  13.272   4.171
  497   3HD2  LEU  59          HD23      LEU  59  10.976  13.225   5.806
  498    H    ASP  60           HN       ASP  60  10.798  18.833   3.147
  499    HA   ASP  60           HA       ASP  60  10.646  19.415   5.859
  500   1HB   ASP  60          HB2       ASP  60  12.045  20.613   4.142
  501   2HB   ASP  60          HB1       ASP  60  10.594  21.476   3.642
  502    H    GLU  61           HN       GLU  61   8.250  19.838   3.350
  503    HA   GLU  61           HA       GLU  61   6.532  21.647   4.686
  504   1HB   GLU  61          HB2       GLU  61   4.959  21.162   2.994
  505   2HB   GLU  61          HB1       GLU  61   6.512  20.867   2.215
  506   1HG   GLU  61          HG2       GLU  61   6.174  18.384   2.984
  507   2HG   GLU  61          HG1       GLU  61   4.496  18.841   3.237
  508    H    ALA  62           HN       ALA  62   6.946  18.174   4.867
  509    HA   ALA  62           HA       ALA  62   4.539  17.629   6.289
  510   1HB   ALA  62          HB1       ALA  62   5.615  15.454   6.769
  511   2HB   ALA  62          HB2       ALA  62   7.122  16.067   6.110
  512   3HB   ALA  62          HB3       ALA  62   5.717  15.871   5.063
  513    H    TYR  63           HN       TYR  63   7.934  17.687   7.373
  514    HA   TYR  63           HA       TYR  63   7.485  17.418  10.080
  515   1HB   TYR  63          HB2       TYR  63   9.761  17.496   9.999
  516   2HB   TYR  63          HB1       TYR  63   9.694  18.179   8.377
  517    HD1  TYR  63           HD1      TYR  63   9.520  19.058  11.996
  518    HD2  TYR  63           HD2      TYR  63  10.200  20.504   8.019
  519    HE1  TYR  63           HE1      TYR  63  10.246  21.228  12.921
  520    HE2  TYR  63           HE2      TYR  63  10.914  22.691   8.941
  521    HH   TYR  63           HH       TYR  63  10.740  23.342  12.434
  522    H    ASN  64           HN       ASN  64   7.496  20.362   8.107
  523    HA   ASN  64           HA       ASN  64   7.155  22.205  10.217
  524   1HB   ASN  64          HB2       ASN  64   7.907  22.836   7.944
  525   2HB   ASN  64          HB1       ASN  64   6.299  22.462   7.325
  526   1HD2  ASN  64          HD21      ASN  64   5.759  24.662   6.746
  527   2HD2  ASN  64          HD22      ASN  64   5.545  25.875   7.914
  528    H    LYS  65           HN       LYS  65   4.926  20.276   8.333
  529    HA   LYS  65           HA       LYS  65   2.554  21.602   9.079
  530   1HB   LYS  65          HB2       LYS  65   2.886  19.835   7.232
  531   2HB   LYS  65          HB1       LYS  65   2.749  18.637   8.510
  532   1HG   LYS  65          HG2       LYS  65   0.509  18.803   7.847
  533   2HG   LYS  65          HG1       LYS  65   0.535  20.000   9.131
  534   1HD   LYS  65          HD2       LYS  65   0.921  21.776   7.424
  535   2HD   LYS  65          HD1       LYS  65   0.843  20.551   6.163
  536   1HE   LYS  65          HE2       LYS  65  -1.453  19.982   6.854
  537   2HE   LYS  65          HE1       LYS  65  -1.374  21.209   8.121
  538   1HZ   LYS  65          HZ1       LYS  65  -2.339  21.718   5.729
  539   2HZ   LYS  65          HZ2       LYS  65  -0.701  22.044   5.413
  540   3HZ   LYS  65          HZ3       LYS  65  -1.516  22.889   6.640
  541    H    VAL  66           HN       VAL  66   4.390  18.976  10.562
  542    HA   VAL  66           HA       VAL  66   2.487  18.285  12.527
  543    HB   VAL  66           HB       VAL  66   5.519  18.046  12.594
  544   1HG1  VAL  66          HG11      VAL  66   3.361  16.841  14.345
  545   2HG1  VAL  66          HG12      VAL  66   4.702  17.866  14.858
  546   3HG1  VAL  66          HG13      VAL  66   5.014  16.230  14.277
  547   1HG2  VAL  66          HG21      VAL  66   4.959  15.664  11.992
  548   2HG2  VAL  66          HG22      VAL  66   4.581  16.833  10.729
  549   3HG2  VAL  66          HG23      VAL  66   3.292  16.173  11.734
  550    H    LYS  67           HN       LYS  67   5.321  20.424  12.691
  551    HA   LYS  67           HA       LYS  67   4.886  21.281  15.347
  552   1HB   LYS  67          HB2       LYS  67   6.274  22.746  13.109
  553   2HB   LYS  67          HB1       LYS  67   6.479  23.010  14.832
  554   1HG   LYS  67          HG2       LYS  67   6.903  20.206  14.442
  555   2HG   LYS  67          HG1       LYS  67   7.746  20.999  13.126
  556   1HD   LYS  67          HD2       LYS  67   8.091  21.543  16.087
  557   2HD   LYS  67          HD1       LYS  67   9.235  20.703  15.038
  558   1HE   LYS  67          HE2       LYS  67   8.923  23.099  13.673
  559   2HE   LYS  67          HE1       LYS  67   8.775  23.630  15.348
  560   1HZ   LYS  67          HZ1       LYS  67  10.977  23.546  15.419
  561   2HZ   LYS  67          HZ2       LYS  67  11.078  22.746  13.923
  562   3HZ   LYS  67          HZ3       LYS  67  10.865  21.854  15.354
  563    H    ARG  68           HN       ARG  68   4.064  22.716  12.220
  564    HA   ARG  68           HA       ARG  68   2.948  25.107  13.072
  565   1HB   ARG  68          HB2       ARG  68   2.386  23.290  10.737
  566   2HB   ARG  68          HB1       ARG  68   1.508  24.794  10.925
  567   1HG   ARG  68          HG2       ARG  68   4.529  24.821  11.053
  568   2HG   ARG  68          HG1       ARG  68   3.735  24.743   9.484
  569   1HD   ARG  68          HD2       ARG  68   2.563  26.815   9.903
  570   2HD   ARG  68          HD1       ARG  68   3.136  26.869  11.562
  571    HE   ARG  68           HE       ARG  68   5.358  26.771   9.812
  572   1HH1  ARG  68          HH21      ARG  68   2.760  28.812  10.842
  573   2HH1  ARG  68          HH22      ARG  68   3.615  30.288  10.543
  574   1HH2  ARG  68          HH11      ARG  68   6.488  28.705   9.416
  575   2HH2  ARG  68          HH12      ARG  68   5.726  30.228   9.736
  576    H    GLY  69           HN       GLY  69   1.727  21.870  13.282
  577   1HA   GLY  69          HA2       GLY  69  -1.026  22.609  13.748
  578   2HA   GLY  69          HA1       GLY  69  -0.309  21.011  13.922
  579    H    GLU  70           HN       GLU  70   1.829  22.593  15.589
  580    HA   GLU  70           HA       GLU  70   0.533  22.077  18.161
  581   1HB   GLU  70          HB2       GLU  70   3.366  22.932  17.501
  582   2HB   GLU  70          HB1       GLU  70   2.781  22.446  19.085
  583   1HG   GLU  70          HG2       GLU  70   2.646  20.670  16.633
  584   2HG   GLU  70          HG1       GLU  70   3.935  20.605  17.814
  585    H    SER  71           HN       SER  71   1.845  23.881  19.777
  586    HA   SER  71           HA       SER  71   1.181  26.588  18.842
  587   1HB   SER  71          HB2       SER  71  -0.323  27.036  20.670
  588   2HB   SER  71          HB1       SER  71  -0.914  25.629  19.792
  589    HG   SER  71           HG       SER  71   0.005  24.317  21.380
  590    H    LYS  72           HN       LYS  72   3.686  25.837  19.211
  591    HA   LYS  72           HA       LYS  72   5.622  26.310  20.320
  592   1HB   LYS  72          HB2       LYS  72   3.841  28.310  21.741
  593   2HB   LYS  72          HB1       LYS  72   5.597  28.290  21.804
  594   1HG   LYS  72          HG2       LYS  72   5.709  28.596  19.372
  595   2HG   LYS  72          HG1       LYS  72   3.947  28.576  19.280
  596   1HD   LYS  72          HD2       LYS  72   3.884  30.556  20.801
  597   2HD   LYS  72          HD1       LYS  72   5.648  30.609  20.752
  598   1HE   LYS  72          HE2       LYS  72   3.812  30.844  18.349
  599   2HE   LYS  72          HE1       LYS  72   4.675  32.178  19.115
  600   1HZ   LYS  72          HZ1       LYS  72   5.941  31.447  17.257
  601   2HZ   LYS  72          HZ2       LYS  72   5.858  29.823  17.752
  602   3HZ   LYS  72          HZ3       LYS  72   6.761  30.944  18.654
  603    H    LEU  73           HN       LEU  73   3.587  24.348  21.413
  604    HA   LEU  73           HA       LEU  73   3.618  24.371  24.216
  605   1HB   LEU  73          HB2       LEU  73   2.195  22.875  22.777
  606   2HB   LEU  73          HB1       LEU  73   3.635  21.922  22.438
  607    HG   LEU  73           HG       LEU  73   3.907  21.558  24.922
  608   1HD1  LEU  73          HD11      LEU  73   1.329  23.127  24.981
  609   2HD1  LEU  73          HD12      LEU  73   2.735  23.254  26.038
  610   3HD1  LEU  73          HD13      LEU  73   1.638  21.896  26.204
  611   1HD2  LEU  73          HD21      LEU  73   2.921  19.832  23.548
  612   2HD2  LEU  73          HD22      LEU  73   1.345  20.620  23.604
  613   3HD2  LEU  73          HD23      LEU  73   2.030  19.911  25.066
  614    H    GLU  74           HN       GLU  74   5.572  24.797  25.154
  615    HA   GLU  74           HA       GLU  74   7.369  22.685  25.590
  616   1HB   GLU  74          HB2       GLU  74   9.387  23.811  24.403
  617   2HB   GLU  74          HB1       GLU  74   8.270  22.887  23.413
  618   1HG   GLU  74          HG2       GLU  74   7.258  24.809  22.497
  619   2HG   GLU  74          HG1       GLU  74   7.820  25.854  23.795
  620    H    HIS  75           HN       HIS  75   6.024  24.518  27.191
  621    HA   HIS  75           HA       HIS  75   6.359  25.838  29.027
  622   1HB   HIS  75          HB2       HIS  75   8.306  24.216  29.343
  623   2HB   HIS  75          HB1       HIS  75   9.338  25.432  28.603
  624    HD1  HIS  75           HD1      HIS  75   9.809  27.600  29.939
  625    HD2  HIS  75           HD2      HIS  75   7.363  24.886  31.946
  626    HE1  HIS  75           HE1      HIS  75   9.663  28.404  32.337
  627    HE2  HIS  75           HE2      HIS  75   8.176  26.759  33.574
  628    H    HIS  76           HN       HIS  76   5.551  27.604  27.726
  629    HA   HIS  76           HA       HIS  76   7.072  29.300  26.126
  630   1HB   HIS  76          HB2       HIS  76   4.756  30.022  27.942
  631   2HB   HIS  76          HB1       HIS  76   5.360  31.008  26.609
  632    HD1  HIS  76           HD1      HIS  76   3.868  27.563  27.227
  633    HD2  HIS  76           HD2      HIS  76   4.304  30.317  24.128
  634    HE1  HIS  76           HE1      HIS  76   2.542  26.655  25.269
  635    HE2  HIS  76           HE2      HIS  76   2.798  28.322  23.372
  636    H    HIS  77           HN       HIS  77   8.747  30.574  26.554
  637    HA   HIS  77           HA       HIS  77   9.554  31.086  29.309
  638   1HB   HIS  77          HB2       HIS  77  11.197  30.454  27.535
  639   2HB   HIS  77          HB1       HIS  77  10.858  31.985  26.727
  640    HD1  HIS  77           HD1      HIS  77  12.051  34.036  27.594
  641    HD2  HIS  77           HD2      HIS  77  12.357  30.812  30.221
  642    HE1  HIS  77           HE1      HIS  77  13.664  34.744  29.413
  643    HE2  HIS  77           HE2      HIS  77  13.862  32.789  31.022
  644    H    HIS  78           HN       HIS  78   7.120  32.363  28.045
  645    HA   HIS  78           HA       HIS  78   6.068  34.403  28.019
  646   1HB   HIS  78          HB2       HIS  78   6.771  34.295  30.411
  647   2HB   HIS  78          HB1       HIS  78   8.246  35.162  29.982
  648    HD1  HIS  78           HD1      HIS  78   8.054  37.676  29.476
  649    HD2  HIS  78           HD2      HIS  78   4.372  35.873  30.232
  650    HE1  HIS  78           HE1      HIS  78   6.375  39.555  29.730
  651    HE2  HIS  78           HE2      HIS  78   4.125  38.473  30.192
  652    H    HIS  79           HN       HIS  79   6.832  34.643  25.785
  653    HA   HIS  79           HA       HIS  79   8.360  37.125  25.475
  654   1HB   HIS  79          HB2       HIS  79  10.037  35.271  25.343
  655   2HB   HIS  79          HB1       HIS  79   9.140  34.607  23.978
  656    HD1  HIS  79           HD1      HIS  79   9.189  35.940  21.744
  657    HD2  HIS  79           HD2      HIS  79  11.497  37.649  24.767
  658    HE1  HIS  79           HE1      HIS  79  10.627  37.707  20.636
  659    HE2  HIS  79           HE2      HIS  79  12.040  38.757  22.466
  660    H    HIS  80           HN       HIS  80   7.715  38.312  23.758
  661    HA   HIS  80           HA       HIS  80   5.221  37.860  22.585
  662   1HB   HIS  80          HB2       HIS  80   7.506  39.568  21.570
  663   2HB   HIS  80          HB1       HIS  80   5.830  39.681  21.031
  664    HD1  HIS  80           HD1      HIS  80   4.043  40.291  22.978
  665    HD2  HIS  80           HD2      HIS  80   8.048  41.010  23.885
  666    HE1  HIS  80           HE1      HIS  80   4.057  41.845  24.978
  667    HE2  HIS  80           HE2      HIS  80   6.492  42.294  25.543
  668   1H    MET   1          HT1       MET   1  44.268  32.110  14.141
  669   2H    MET   1          HT2       MET   1  45.460  32.580  15.258
  670   3H    MET   1          HT3       MET   1  44.798  33.721  14.188
  671    HA   MET   1           HA       MET   1  43.705  32.623  16.656
  672   1HB   MET   1          HB2       MET   1  43.501  35.266  15.181
  673   2HB   MET   1          HB1       MET   1  42.760  34.939  16.748
  674   1HG   MET   1          HG2       MET   1  44.837  36.020  17.231
  675   2HG   MET   1          HG1       MET   1  45.114  34.313  17.568
  676   1HE   MET   1          HE1       MET   1  47.377  35.729  17.569
  677   2HE   MET   1          HE2       MET   1  47.172  37.060  16.432
  678   3HE   MET   1          HE3       MET   1  48.423  35.851  16.147
  679    H    SER   2           HN       SER   2  43.011  32.326  13.437
  680    HA   SER   2           HA       SER   2  40.141  32.724  13.523
  681   1HB   SER   2          HB2       SER   2  40.195  31.726  11.262
  682   2HB   SER   2          HB1       SER   2  41.369  33.029  11.428
  683    HG   SER   2           HG       SER   2  42.476  31.369  10.531
  684    H    GLU   3           HN       GLU   3  42.264  29.864  13.201
  685    HA   GLU   3           HA       GLU   3  41.855  27.627  13.607
  686   1HB   GLU   3          HB2       GLU   3  40.282  28.892  15.866
  687   2HB   GLU   3          HB1       GLU   3  40.671  27.174  15.767
  688   1HG   GLU   3          HG2       GLU   3  42.345  28.177  17.164
  689   2HG   GLU   3          HG1       GLU   3  43.120  27.836  15.619
  690    H    LEU   4           HN       LEU   4  40.736  27.096  11.766
  691    HA   LEU   4           HA       LEU   4  38.091  26.151  12.189
  692   1HB   LEU   4          HB2       LEU   4  38.030  28.805  11.613
  693   2HB   LEU   4          HB1       LEU   4  38.116  28.188   9.972
  694    HG   LEU   4           HG       LEU   4  36.182  26.548  10.839
  695   1HD1  LEU   4          HD11      LEU   4  35.783  28.981  12.595
  696   2HD1  LEU   4          HD12      LEU   4  36.329  27.410  13.176
  697   3HD1  LEU   4          HD13      LEU   4  34.720  27.580  12.475
  698   1HD2  LEU   4          HD21      LEU   4  34.489  28.220  10.076
  699   2HD2  LEU   4          HD22      LEU   4  35.875  28.118   8.990
  700   3HD2  LEU   4          HD23      LEU   4  35.738  29.465  10.121
  701    H    PHE   5           HN       PHE   5  37.296  26.190   9.450
  702    HA   PHE   5           HA       PHE   5  37.562  25.076   7.483
  703   1HB   PHE   5          HB2       PHE   5  39.712  26.418   7.372
  704   2HB   PHE   5          HB1       PHE   5  40.542  25.030   8.061
  705    HD1  PHE   5           HD1      PHE   5  38.532  26.197   5.172
  706    HD2  PHE   5           HD2      PHE   5  41.065  23.095   6.726
  707    HE1  PHE   5           HE1      PHE   5  38.690  25.192   2.910
  708    HE2  PHE   5           HE2      PHE   5  41.222  22.091   4.465
  709    HZ   PHE   5           HZ       PHE   5  40.036  23.138   2.556
  710    H    SER   6           HN       SER   6  39.593  23.864  10.104
  711    HA   SER   6           HA       SER   6  39.667  21.176   9.225
  712   1HB   SER   6          HB2       SER   6  39.778  21.955  12.143
  713   2HB   SER   6          HB1       SER   6  40.686  20.706  11.289
  714    HG   SER   6           HG       SER   6  41.063  23.477  11.376
  715    H    VAL   7           HN       VAL   7  38.210  19.582   9.346
  716    HA   VAL   7           HA       VAL   7  35.517  20.024  10.010
  717    HB   VAL   7           HB       VAL   7  37.091  17.450   9.799
  718   1HG1  VAL   7          HG11      VAL   7  34.791  16.421   9.475
  719   2HG1  VAL   7          HG12      VAL   7  34.122  17.900  10.153
  720   3HG1  VAL   7          HG13      VAL   7  35.183  16.881  11.128
  721   1HG2  VAL   7          HG21      VAL   7  35.176  18.787   7.876
  722   2HG2  VAL   7          HG22      VAL   7  36.050  17.281   7.600
  723   3HG2  VAL   7          HG23      VAL   7  36.935  18.799   7.733
  724    HA   PRO   8           HA       PRO   8  36.611  17.598  14.175
  725   1HB   PRO   8          HB2       PRO   8  39.099  18.652  15.124
  726   2HB   PRO   8          HB1       PRO   8  38.809  17.008  14.524
  727   1HG   PRO   8          HG2       PRO   8  39.870  19.387  13.058
  728   2HG   PRO   8          HG1       PRO   8  40.360  17.685  12.944
  729   1HD   PRO   8          HD2       PRO   8  38.860  18.691  11.026
  730   2HD   PRO   8          HD1       PRO   8  38.450  17.095  11.662
  731    H    TYR   9           HN       TYR   9  37.333  20.871  13.200
  732    HA   TYR   9           HA       TYR   9  37.052  22.151  15.706
  733   1HB   TYR   9          HB2       TYR   9  37.987  23.200  13.638
  734   2HB   TYR   9          HB1       TYR   9  36.352  23.259  12.982
  735    HD1  TYR   9           HD2      TYR   9  34.617  24.686  14.009
  736    HD2  TYR   9           HD1      TYR   9  38.669  24.691  15.436
  737    HE1  TYR   9           HE2      TYR   9  34.178  26.788  15.246
  738    HE2  TYR   9           HE1      TYR   9  38.231  26.793  16.672
  739    HH   TYR   9           HH       TYR   9  35.433  28.681  16.161
  740    H    PHE  10           HN       PHE  10  34.708  21.335  13.174
  741    HA   PHE  10           HA       PHE  10  32.462  22.610  14.312
  742   1HB   PHE  10          HB2       PHE  10  32.952  20.522  12.244
  743   2HB   PHE  10          HB1       PHE  10  31.346  20.478  12.964
  744    HD1  PHE  10           HD2      PHE  10  33.635  23.351  12.191
  745    HD2  PHE  10           HD1      PHE  10  29.859  21.458  11.400
  746    HE1  PHE  10           HE2      PHE  10  32.962  25.280  10.789
  747    HE2  PHE  10           HE1      PHE  10  29.192  23.389   9.999
  748    HZ   PHE  10           HZ       PHE  10  30.729  25.294   9.689
  749    H    ILE  11           HN       ILE  11  33.728  19.313  14.722
  750    HA   ILE  11           HA       ILE  11  31.626  18.444  16.437
  751    HB   ILE  11           HB       ILE  11  34.447  17.375  16.202
  752   1HG1  ILE  11          HG12      ILE  11  31.931  16.486  14.745
  753   2HG1  ILE  11          HG11      ILE  11  33.157  17.518  14.023
  754   1HG2  ILE  11          HG21      ILE  11  31.859  16.173  17.239
  755   2HG2  ILE  11          HG22      ILE  11  33.295  16.547  18.190
  756   3HG2  ILE  11          HG23      ILE  11  33.347  15.264  16.989
  757   1HD1  ILE  11          HD11      ILE  11  34.853  15.787  14.327
  758   2HD1  ILE  11          HD12      ILE  11  33.481  15.127  13.434
  759   3HD1  ILE  11          HD13      ILE  11  33.681  14.755  15.144
  760    H    GLU  12           HN       GLU  12  34.878  19.730  17.013
  761    HA   GLU  12           HA       GLU  12  35.073  19.440  19.767
  762   1HB   GLU  12          HB2       GLU  12  36.088  21.527  17.838
  763   2HB   GLU  12          HB1       GLU  12  36.401  21.714  19.562
  764   1HG   GLU  12          HG2       GLU  12  37.091  19.179  18.041
  765   2HG   GLU  12          HG1       GLU  12  38.222  20.517  18.235
  766    H    ASN  13           HN       ASN  13  33.057  21.627  17.934
  767    HA   ASN  13           HA       ASN  13  32.443  23.414  20.090
  768   1HB   ASN  13          HB2       ASN  13  32.172  24.054  17.724
  769   2HB   ASN  13          HB1       ASN  13  30.910  22.836  17.545
  770   1HD2  ASN  13          HD21      ASN  13  29.105  24.246  17.242
  771   2HD2  ASN  13          HD22      ASN  13  28.592  25.353  18.422
  772    H    LEU  14           HN       LEU  14  31.158  20.375  18.911
  773    HA   LEU  14           HA       LEU  14  28.703  20.439  20.380
  774   1HB   LEU  14          HB2       LEU  14  30.172  17.999  19.350
  775   2HB   LEU  14          HB1       LEU  14  28.446  18.157  19.680
  776    HG   LEU  14           HG       LEU  14  29.966  19.728  17.576
  777   1HD1  LEU  14          HD11      LEU  14  27.952  17.522  17.134
  778   2HD1  LEU  14          HD12      LEU  14  29.695  17.251  17.127
  779   3HD1  LEU  14          HD13      LEU  14  28.960  18.327  15.941
  780   1HD2  LEU  14          HD21      LEU  14  28.127  21.070  18.194
  781   2HD2  LEU  14          HD22      LEU  14  27.068  19.680  18.439
  782   3HD2  LEU  14          HD23      LEU  14  27.530  20.164  16.814
  783    H    LYS  15           HN       LYS  15  31.949  19.224  20.980
  784    HA   LYS  15           HA       LYS  15  31.476  17.628  23.200
  785   1HB   LYS  15          HB2       LYS  15  33.656  17.830  22.024
  786   2HB   LYS  15          HB1       LYS  15  33.873  19.414  22.768
  787   1HG   LYS  15          HG2       LYS  15  33.781  18.410  25.004
  788   2HG   LYS  15          HG1       LYS  15  33.469  16.825  24.297
  789   1HD   LYS  15          HD2       LYS  15  35.650  16.913  23.146
  790   2HD   LYS  15          HD1       LYS  15  35.964  18.491  23.869
  791   1HE   LYS  15          HE2       LYS  15  35.829  17.501  26.118
  792   2HE   LYS  15          HE1       LYS  15  35.490  15.922  25.409
  793   1HZ   LYS  15          HZ1       LYS  15  37.952  16.895  25.983
  794   2HZ   LYS  15          HZ2       LYS  15  37.823  17.180  24.313
  795   3HZ   LYS  15          HZ3       LYS  15  37.626  15.608  24.928
  796    H    GLN  16           HN       GLN  16  31.881  21.133  22.942
  797    HA   GLN  16           HA       GLN  16  31.924  21.690  25.729
  798   1HB   GLN  16          HB2       GLN  16  32.681  23.280  23.965
  799   2HB   GLN  16          HB1       GLN  16  30.998  23.492  23.483
  800   1HG   GLN  16          HG2       GLN  16  30.421  24.372  25.672
  801   2HG   GLN  16          HG1       GLN  16  32.034  24.013  26.282
  802   1HE2  GLN  16          HE21      GLN  16  32.640  26.213  26.715
  803   2HE2  GLN  16          HE22      GLN  16  32.844  27.358  25.478
  804    H    HIS  17           HN       HIS  17  29.323  21.351  23.378
  805    HA   HIS  17           HA       HIS  17  27.240  22.370  24.990
  806   1HB   HIS  17          HB2       HIS  17  27.115  20.243  22.840
  807   2HB   HIS  17          HB1       HIS  17  25.737  21.124  23.491
  808    HD1  HIS  17           HD1      HIS  17  27.779  23.776  23.643
  809    HD2  HIS  17           HD2      HIS  17  26.508  21.617  20.310
  810    HE1  HIS  17           HE1      HIS  17  28.017  25.325  21.653
  811    HE2  HIS  17           HE2      HIS  17  27.246  24.023  19.614
  812    H    ILE  18           HN       ILE  18  28.310  19.010  24.453
  813    HA   ILE  18           HA       ILE  18  26.538  17.932  26.440
  814    HB   ILE  18           HB       ILE  18  27.760  15.824  26.060
  815   1HG1  ILE  18          HG12      ILE  18  29.584  17.610  24.440
  816   2HG1  ILE  18          HG11      ILE  18  30.037  16.667  25.850
  817   1HG2  ILE  18          HG21      ILE  18  27.342  17.257  23.417
  818   2HG2  ILE  18          HG22      ILE  18  26.015  16.720  24.437
  819   3HG2  ILE  18          HG23      ILE  18  27.121  15.541  23.758
  820   1HD1  ILE  18          HD11      ILE  18  30.817  15.392  24.020
  821   2HD1  ILE  18          HD12      ILE  18  29.333  15.655  23.103
  822   3HD1  ILE  18          HD13      ILE  18  29.320  14.598  24.515
  823    H    GLU  19           HN       GLU  19  29.989  18.722  26.342
  824    HA   GLU  19           HA       GLU  19  30.617  17.722  28.919
  825   1HB   GLU  19          HB2       GLU  19  32.314  18.258  27.193
  826   2HB   GLU  19          HB1       GLU  19  31.948  19.972  27.389
  827   1HG   GLU  19          HG2       GLU  19  32.683  19.906  29.712
  828   2HG   GLU  19          HG1       GLU  19  32.925  18.163  29.616
  829    H    MET  20           HN       MET  20  30.049  21.088  27.842
  830    HA   MET  20           HA       MET  20  29.596  21.890  30.648
  831   1HB   MET  20          HB2       MET  20  29.850  23.600  28.156
  832   2HB   MET  20          HB1       MET  20  29.802  24.171  29.819
  833   1HG   MET  20          HG2       MET  20  31.863  22.877  30.305
  834   2HG   MET  20          HG1       MET  20  31.939  22.405  28.607
  835   1HE   MET  20          HE1       MET  20  34.000  23.501  27.565
  836   2HE   MET  20          HE2       MET  20  34.359  23.357  29.285
  837   3HE   MET  20          HE3       MET  20  34.782  24.835  28.427
  838    H    ASN  21           HN       ASN  21  28.039  24.220  29.561
  839    HA   ASN  21           HA       ASN  21  25.618  23.227  28.424
  840   1HB   ASN  21          HB2       ASN  21  24.179  23.438  30.406
  841   2HB   ASN  21          HB1       ASN  21  25.393  22.183  30.641
  842   1HD2  ASN  21          HD21      ASN  21  24.640  22.877  33.024
  843   2HD2  ASN  21          HD22      ASN  21  25.612  24.060  33.756
  844    H    GLN  22           HN       GLN  22  27.233  25.347  27.778
  845    HA   GLN  22           HA       GLN  22  26.671  27.821  28.920
  846   1HB   GLN  22          HB2       GLN  22  27.219  27.076  26.041
  847   2HB   GLN  22          HB1       GLN  22  27.201  28.737  26.638
  848   1HG   GLN  22          HG2       GLN  22  28.995  28.197  28.227
  849   2HG   GLN  22          HG1       GLN  22  28.996  26.524  27.670
  850   1HE2  GLN  22          HE21      GLN  22  30.560  29.465  27.235
  851   2HE2  GLN  22          HE22      GLN  22  31.204  29.191  25.689
  852    H    SER  23           HN       SER  23  24.930  26.076  26.360
  853    HA   SER  23           HA       SER  23  22.388  27.001  27.104
  854   1HB   SER  23          HB2       SER  23  23.838  28.710  25.106
  855   2HB   SER  23          HB1       SER  23  22.100  28.491  24.933
  856    HG   SER  23           HG       SER  23  22.470  28.953  27.457
  857    H    GLU  24           HN       GLU  24  22.631  24.579  26.649
  858    HA   GLU  24           HA       GLU  24  21.287  24.014  24.179
  859   1HB   GLU  24          HB2       GLU  24  23.857  24.192  23.644
  860   2HB   GLU  24          HB1       GLU  24  23.966  22.616  24.412
  861   1HG   GLU  24          HG2       GLU  24  23.626  22.143  22.091
  862   2HG   GLU  24          HG1       GLU  24  22.050  21.883  22.836
  863    H    ASP  25           HN       ASP  25  22.734  21.236  24.472
  864    HA   ASP  25           HA       ASP  25  21.628  20.241  26.976
  865   1HB   ASP  25          HB2       ASP  25  20.457  19.461  24.291
  866   2HB   ASP  25          HB1       ASP  25  20.141  18.609  25.805
  867    H    LYS  26           HN       LYS  26  21.543  17.594  26.412
  868    HA   LYS  26           HA       LYS  26  24.371  16.989  26.100
  869   1HB   LYS  26          HB2       LYS  26  22.927  15.994  27.879
  870   2HB   LYS  26          HB1       LYS  26  22.063  15.114  26.630
  871   1HG   LYS  26          HG2       LYS  26  24.135  13.978  25.955
  872   2HG   LYS  26          HG1       LYS  26  25.061  14.943  27.094
  873   1HD   LYS  26          HD2       LYS  26  24.737  12.868  28.206
  874   2HD   LYS  26          HD1       LYS  26  23.550  13.942  28.936
  875   1HE   LYS  26          HE2       LYS  26  22.611  11.700  28.384
  876   2HE   LYS  26          HE1       LYS  26  21.780  12.986  27.521
  877   1HZ   LYS  26          HZ1       LYS  26  24.045  11.472  26.366
  878   2HZ   LYS  26          HZ2       LYS  26  22.960  12.497  25.558
  879   3HZ   LYS  26          HZ3       LYS  26  22.430  11.001  26.163
  880    H    ILE  27           HN       ILE  27  22.310  14.482  25.029
  881    HA   ILE  27           HA       ILE  27  23.613  14.215  22.536
  882    HB   ILE  27           HB       ILE  27  22.511  12.380  23.784
  883   1HG1  ILE  27          HG12      ILE  27  21.346  12.717  21.000
  884   2HG1  ILE  27          HG11      ILE  27  23.038  12.310  21.288
  885   1HG2  ILE  27          HG21      ILE  27  20.120  12.132  23.775
  886   2HG2  ILE  27          HG22      ILE  27  19.915  13.525  22.715
  887   3HG2  ILE  27          HG23      ILE  27  20.465  13.753  24.375
  888   1HD1  ILE  27          HD11      ILE  27  22.560  10.208  22.069
  889   2HD1  ILE  27          HD12      ILE  27  21.241  10.411  20.921
  890   3HD1  ILE  27          HD13      ILE  27  20.946  10.637  22.634
  891    H    HIS  28           HN       HIS  28  20.635  15.812  23.512
  892    HA   HIS  28           HA       HIS  28  19.624  16.250  20.887
  893   1HB   HIS  28          HB2       HIS  28  19.119  17.677  23.504
  894   2HB   HIS  28          HB1       HIS  28  18.217  17.988  22.023
  895    HD1  HIS  28           HD1      HIS  28  17.114  15.681  20.944
  896    HD2  HIS  28           HD2      HIS  28  18.025  15.638  25.012
  897    HE1  HIS  28           HE1      HIS  28  15.781  13.781  21.957
  898    HE2  HIS  28           HE2      HIS  28  16.325  13.741  24.436
  899    H    ALA  29           HN       ALA  29  22.483  17.209  21.959
  900    HA   ALA  29           HA       ALA  29  22.501  20.020  21.324
  901   1HB   ALA  29          HB1       ALA  29  24.141  19.134  22.869
  902   2HB   ALA  29          HB2       ALA  29  24.975  19.748  21.445
  903   3HB   ALA  29          HB3       ALA  29  24.741  18.012  21.650
  904    H    MET  30           HN       MET  30  23.531  17.051  19.668
  905    HA   MET  30           HA       MET  30  24.572  18.269  17.350
  906   1HB   MET  30          HB2       MET  30  23.809  15.909  16.339
  907   2HB   MET  30          HB1       MET  30  25.145  16.001  17.485
  908   1HG   MET  30          HG2       MET  30  23.882  15.134  19.247
  909   2HG   MET  30          HG1       MET  30  22.359  15.696  18.573
  910   1HE   MET  30          HE1       MET  30  21.253  14.715  16.426
  911   2HE   MET  30          HE2       MET  30  20.693  14.015  17.943
  912   3HE   MET  30          HE3       MET  30  20.977  12.972  16.552
  913    H    ASN  31           HN       ASN  31  21.290  17.027  18.070
  914    HA   ASN  31           HA       ASN  31  20.121  17.447  15.586
  915   1HB   ASN  31          HB2       ASN  31  18.972  16.355  17.471
  916   2HB   ASN  31          HB1       ASN  31  18.876  17.902  18.311
  917   1HD2  ASN  31          HD21      ASN  31  16.958  15.874  16.595
  918   2HD2  ASN  31          HD22      ASN  31  15.927  16.997  15.847
  919    H    SER  32           HN       SER  32  20.466  19.770  18.275
  920    HA   SER  32           HA       SER  32  19.201  21.933  16.918
  921   1HB   SER  32          HB2       SER  32  21.191  21.883  19.187
  922   2HB   SER  32          HB1       SER  32  20.328  23.328  18.662
  923    HG   SER  32           HG       SER  32  18.411  22.360  19.232
  924    H    TYR  33           HN       TYR  33  22.656  21.258  17.539
  925    HA   TYR  33           HA       TYR  33  23.688  23.378  15.997
  926   1HB   TYR  33          HB2       TYR  33  25.047  22.194  17.644
  927   2HB   TYR  33          HB1       TYR  33  24.912  20.697  16.718
  928    HD1  TYR  33           HD1      TYR  33  25.980  20.486  14.498
  929    HD2  TYR  33           HD2      TYR  33  26.548  23.974  16.939
  930    HE1  TYR  33           HE1      TYR  33  27.908  21.162  13.086
  931    HE2  TYR  33           HE2      TYR  33  28.481  24.647  15.535
  932    HH   TYR  33           HH       TYR  33  29.413  24.284  13.404
  933    H    TYR  34           HN       TYR  34  23.104  19.967  15.190
  934    HA   TYR  34           HA       TYR  34  24.129  19.938  12.600
  935   1HB   TYR  34          HB2       TYR  34  23.415  17.905  13.826
  936   2HB   TYR  34          HB1       TYR  34  21.732  18.410  13.667
  937    HD1  TYR  34           HD1      TYR  34  24.702  17.152  11.896
  938    HD2  TYR  34           HD2      TYR  34  20.583  18.297  11.494
  939    HE1  TYR  34           HE1      TYR  34  24.636  16.119   9.641
  940    HE2  TYR  34           HE2      TYR  34  20.514  17.260   9.242
  941    HH   TYR  34           HH       TYR  34  21.621  15.802   7.855
  942    H    ARG  35           HN       ARG  35  20.836  20.701  13.728
  943    HA   ARG  35           HA       ARG  35  19.783  21.237  11.151
  944   1HB   ARG  35          HB2       ARG  35  18.382  20.759  13.147
  945   2HB   ARG  35          HB1       ARG  35  18.853  22.319  13.821
  946   1HG   ARG  35          HG2       ARG  35  17.866  23.470  11.868
  947   2HG   ARG  35          HG1       ARG  35  17.414  21.911  11.180
  948   1HD   ARG  35          HD2       ARG  35  15.986  21.457  13.118
  949   2HD   ARG  35          HD1       ARG  35  16.471  22.987  13.848
  950    HE   ARG  35           HE       ARG  35  15.354  23.316  11.209
  951   1HH1  ARG  35          HH21      ARG  35  14.671  22.883  14.574
  952   2HH1  ARG  35          HH22      ARG  35  13.120  23.651  14.499
  953   1HH2  ARG  35          HH11      ARG  35  13.323  24.326  11.105
  954   2HH2  ARG  35          HH12      ARG  35  12.357  24.468  12.535
  955    H    SER  36           HN       SER  36  21.479  23.194  13.531
  956    HA   SER  36           HA       SER  36  20.905  25.735  12.448
  957   1HB   SER  36          HB2       SER  36  23.421  24.881  13.892
  958   2HB   SER  36          HB1       SER  36  22.825  26.523  13.705
  959    HG   SER  36           HG       SER  36  21.920  26.034  15.563
  960    H    VAL  37           HN       VAL  37  23.569  23.470  11.836
  961    HA   VAL  37           HA       VAL  37  24.897  25.147   9.943
  962    HB   VAL  37           HB       VAL  37  25.033  22.148  10.356
  963   1HG1  VAL  37          HG11      VAL  37  25.865  22.683   8.133
  964   2HG1  VAL  37          HG12      VAL  37  27.239  22.372   9.177
  965   3HG1  VAL  37          HG13      VAL  37  26.808  24.032   8.764
  966   1HG2  VAL  37          HG21      VAL  37  26.682  24.475  11.392
  967   2HG2  VAL  37          HG22      VAL  37  27.199  22.795  11.499
  968   3HG2  VAL  37          HG23      VAL  37  25.740  23.322  12.339
  969    H    VAL  38           HN       VAL  38  22.628  22.431   9.635
  970    HA   VAL  38           HA       VAL  38  22.600  22.119   6.876
  971    HB   VAL  38           HB       VAL  38  20.319  21.922   8.855
  972   1HG1  VAL  38          HG11      VAL  38  19.281  20.425   7.042
  973   2HG1  VAL  38          HG12      VAL  38  20.441  21.142   5.924
  974   3HG1  VAL  38          HG13      VAL  38  19.244  22.159   6.725
  975   1HG2  VAL  38          HG21      VAL  38  20.885  19.669   9.088
  976   2HG2  VAL  38          HG22      VAL  38  22.486  20.366   8.874
  977   3HG2  VAL  38          HG23      VAL  38  21.685  19.581   7.532
  978    H    SER  39           HN       SER  39  20.633  24.368   8.824
  979    HA   SER  39           HA       SER  39  19.185  25.519   6.739
  980   1HB   SER  39          HB2       SER  39  18.930  27.458   8.248
  981   2HB   SER  39          HB1       SER  39  18.679  25.934   9.095
  982    HG   SER  39           HG       SER  39  20.073  27.043  10.355
  983    H    THR  40           HN       THR  40  22.376  26.375   8.048
  984    HA   THR  40           HA       THR  40  22.782  28.652   6.420
  985    HB   THR  40           HB       THR  40  24.816  26.784   7.663
  986    HG1  THR  40           HG1      THR  40  24.608  29.127   8.859
  987   1HG2  THR  40          HG21      THR  40  26.260  28.875   7.520
  988   2HG2  THR  40          HG22      THR  40  25.040  29.549   6.437
  989   3HG2  THR  40          HG23      THR  40  25.922  28.091   5.977
  990    H    LEU  41           HN       LEU  41  23.678  25.239   6.016
  991    HA   LEU  41           HA       LEU  41  25.129  25.533   3.618
  992   1HB   LEU  41          HB2       LEU  41  23.522  23.216   4.704
  993   2HB   LEU  41          HB1       LEU  41  24.559  23.090   3.286
  994    HG   LEU  41           HG       LEU  41  25.515  23.995   6.021
  995   1HD1  LEU  41          HD11      LEU  41  26.583  21.693   6.086
  996   2HD1  LEU  41          HD12      LEU  41  25.575  21.263   4.705
  997   3HD1  LEU  41          HD13      LEU  41  24.831  21.704   6.234
  998   1HD2  LEU  41          HD21      LEU  41  27.777  23.220   4.875
  999   2HD2  LEU  41          HD22      LEU  41  27.130  24.807   4.514
 1000   3HD2  LEU  41          HD23      LEU  41  26.895  23.484   3.373
 1001    H    VAL  42           HN       VAL  42  21.689  24.781   4.149
 1002    HA   VAL  42           HA       VAL  42  21.020  24.666   1.384
 1003    HB   VAL  42           HB       VAL  42  19.288  25.175   3.817
 1004   1HG1  VAL  42          HG11      VAL  42  18.080  25.977   1.891
 1005   2HG1  VAL  42          HG12      VAL  42  17.448  24.373   2.248
 1006   3HG1  VAL  42          HG13      VAL  42  18.588  24.595   0.920
 1007   1HG2  VAL  42          HG21      VAL  42  20.417  23.007   3.857
 1008   2HG2  VAL  42          HG22      VAL  42  19.931  22.685   2.194
 1009   3HG2  VAL  42          HG23      VAL  42  18.713  22.762   3.474
 1010    H    GLN  43           HN       GLN  43  20.937  27.252   3.800
 1011    HA   GLN  43           HA       GLN  43  19.732  29.187   2.053
 1012   1HB   GLN  43          HB2       GLN  43  21.175  29.395   4.700
 1013   2HB   GLN  43          HB1       GLN  43  20.547  30.809   3.855
 1014   1HG   GLN  43          HG2       GLN  43  18.295  29.931   3.921
 1015   2HG   GLN  43          HG1       GLN  43  18.854  28.403   4.590
 1016   1HE2  GLN  43          HE21      GLN  43  17.014  30.588   5.732
 1017   2HE2  GLN  43          HE22      GLN  43  17.688  30.943   7.249
 1018    H    ASP  44           HN       ASP  44  22.995  28.216   2.830
 1019    HA   ASP  44           HA       ASP  44  24.700  30.139   2.175
 1020   1HB   ASP  44          HB2       ASP  44  25.339  27.746   2.397
 1021   2HB   ASP  44          HB1       ASP  44  24.778  27.460   0.754
 1022    H    GLN  45           HN       GLN  45  23.975  28.189  -0.679
 1023    HA   GLN  45           HA       GLN  45  22.827  30.398  -2.165
 1024   1HB   GLN  45          HB2       GLN  45  24.675  30.534  -3.815
 1025   2HB   GLN  45          HB1       GLN  45  25.164  31.081  -2.211
 1026   1HG   GLN  45          HG2       GLN  45  26.198  28.909  -1.749
 1027   2HG   GLN  45          HG1       GLN  45  25.667  28.284  -3.305
 1028   1HE2  GLN  45          HE21      GLN  45  28.489  28.731  -2.298
 1029   2HE2  GLN  45          HE22      GLN  45  29.205  29.758  -3.444
 1030    H    LEU  46           HN       LEU  46  22.933  27.309  -1.477
 1031    HA   LEU  46           HA       LEU  46  22.803  25.294  -2.676
 1032   1HB   LEU  46          HB2       LEU  46  20.474  26.621  -2.262
 1033   2HB   LEU  46          HB1       LEU  46  20.393  26.491  -4.012
 1034    HG   LEU  46           HG       LEU  46  20.829  24.157  -2.115
 1035   1HD1  LEU  46          HD11      LEU  46  18.360  24.974  -3.680
 1036   2HD1  LEU  46          HD12      LEU  46  18.564  25.168  -1.938
 1037   3HD1  LEU  46          HD13      LEU  46  18.511  23.553  -2.646
 1038   1HD2  LEU  46          HD21      LEU  46  21.808  23.735  -4.308
 1039   2HD2  LEU  46          HD22      LEU  46  20.341  24.304  -5.108
 1040   3HD2  LEU  46          HD23      LEU  46  20.312  22.815  -4.169
 1041    H    THR  47           HN       THR  47  24.668  26.794  -4.024
 1042    HA   THR  47           HA       THR  47  24.132  27.321  -6.715
 1043    HB   THR  47           HB       THR  47  26.132  28.178  -5.641
 1044    HG1  THR  47           HG1      THR  47  26.060  27.448  -7.950
 1045   1HG2  THR  47          HG21      THR  47  27.952  26.707  -4.967
 1046   2HG2  THR  47          HG22      THR  47  27.050  25.297  -5.522
 1047   3HG2  THR  47          HG23      THR  47  26.479  26.214  -4.134
 1048    H    LYS  48           HN       LYS  48  24.942  24.385  -5.033
 1049    HA   LYS  48           HA       LYS  48  24.162  22.819  -7.353
 1050   1HB   LYS  48          HB2       LYS  48  26.626  23.314  -7.620
 1051   2HB   LYS  48          HB1       LYS  48  26.891  22.434  -6.125
 1052   1HG   LYS  48          HG2       LYS  48  27.222  20.727  -7.685
 1053   2HG   LYS  48          HG1       LYS  48  25.516  20.511  -7.343
 1054   1HD   LYS  48          HD2       LYS  48  24.998  21.966  -9.344
 1055   2HD   LYS  48          HD1       LYS  48  26.720  21.986  -9.703
 1056   1HE   LYS  48          HE2       LYS  48  25.056  19.467  -9.456
 1057   2HE   LYS  48          HE1       LYS  48  25.484  20.238 -10.984
 1058   1HZ   LYS  48          HZ1       LYS  48  27.592  19.533 -10.853
 1059   2HZ   LYS  48          HZ2       LYS  48  26.965  18.364  -9.792
 1060   3HZ   LYS  48          HZ3       LYS  48  27.694  19.770  -9.178
 1061    H    ASN  49           HN       ASN  49  23.011  21.150  -6.684
 1062    HA   ASN  49           HA       ASN  49  22.322  20.579  -4.095
 1063   1HB   ASN  49          HB2       ASN  49  22.594  18.523  -6.285
 1064   2HB   ASN  49          HB1       ASN  49  21.543  18.430  -4.872
 1065   1HD2  ASN  49          HD21      ASN  49  19.633  19.854  -4.833
 1066   2HD2  ASN  49          HD22      ASN  49  19.086  20.606  -6.252
 1067    H    ALA  50           HN       ALA  50  25.145  19.463  -5.897
 1068    HA   ALA  50           HA       ALA  50  25.986  17.479  -4.051
 1069   1HB   ALA  50          HB1       ALA  50  27.716  19.063  -5.946
 1070   2HB   ALA  50          HB2       ALA  50  26.789  17.635  -6.406
 1071   3HB   ALA  50          HB3       ALA  50  28.089  17.499  -5.222
 1072    H    VAL  51           HN       VAL  51  27.026  20.855  -4.559
 1073    HA   VAL  51           HA       VAL  51  28.965  21.044  -2.567
 1074    HB   VAL  51           HB       VAL  51  26.979  23.056  -3.627
 1075   1HG1  VAL  51          HG11      VAL  51  28.532  24.797  -2.512
 1076   2HG1  VAL  51          HG12      VAL  51  29.100  23.469  -1.497
 1077   3HG1  VAL  51          HG13      VAL  51  27.403  23.950  -1.454
 1078   1HG2  VAL  51          HG21      VAL  51  28.934  22.126  -5.018
 1079   2HG2  VAL  51          HG22      VAL  51  29.998  22.988  -3.913
 1080   3HG2  VAL  51          HG23      VAL  51  28.834  23.880  -4.890
 1081    H    VAL  52           HN       VAL  52  25.449  21.525  -2.231
 1082    HA   VAL  52           HA       VAL  52  25.641  21.948   0.609
 1083    HB   VAL  52           HB       VAL  52  23.139  21.841   0.542
 1084   1HG1  VAL  52          HG11      VAL  52  22.865  23.871  -0.757
 1085   2HG1  VAL  52          HG12      VAL  52  24.333  23.538  -1.676
 1086   3HG1  VAL  52          HG13      VAL  52  24.438  23.938   0.037
 1087   1HG2  VAL  52          HG21      VAL  52  23.684  21.223  -2.375
 1088   2HG2  VAL  52          HG22      VAL  52  22.111  21.717  -1.762
 1089   3HG2  VAL  52          HG23      VAL  52  22.826  20.198  -1.233
 1090    H    LEU  53           HN       LEU  53  24.773  19.251  -1.484
 1091    HA   LEU  53           HA       LEU  53  23.910  17.509   0.589
 1092   1HB   LEU  53          HB2       LEU  53  23.326  17.095  -1.747
 1093   2HB   LEU  53          HB1       LEU  53  25.017  16.856  -2.135
 1094    HG   LEU  53           HG       LEU  53  25.095  14.881  -0.659
 1095   1HD1  LEU  53          HD11      LEU  53  22.253  15.725  -0.082
 1096   2HD1  LEU  53          HD12      LEU  53  23.521  15.241   1.046
 1097   3HD1  LEU  53          HD13      LEU  53  22.721  14.030   0.058
 1098   1HD2  LEU  53          HD21      LEU  53  22.872  14.903  -2.723
 1099   2HD2  LEU  53          HD22      LEU  53  23.582  13.439  -2.043
 1100   3HD2  LEU  53          HD23      LEU  53  24.574  14.535  -3.004
 1101    H    LYS  54           HN       LYS  54  27.037  18.037  -0.964
 1102    HA   LYS  54           HA       LYS  54  28.456  15.900   0.146
 1103   1HB   LYS  54          HB2       LYS  54  29.283  18.675  -0.713
 1104   2HB   LYS  54          HB1       LYS  54  30.462  17.481  -0.168
 1105   1HG   LYS  54          HG2       LYS  54  30.049  16.038  -1.996
 1106   2HG   LYS  54          HG1       LYS  54  28.494  16.765  -2.358
 1107   1HD   LYS  54          HD2       LYS  54  30.172  17.464  -4.017
 1108   2HD   LYS  54          HD1       LYS  54  29.613  18.846  -3.071
 1109   1HE   LYS  54          HE2       LYS  54  32.143  18.691  -3.417
 1110   2HE   LYS  54          HE1       LYS  54  31.610  18.867  -1.748
 1111   1HZ   LYS  54          HZ1       LYS  54  33.334  17.078  -2.289
 1112   2HZ   LYS  54          HZ2       LYS  54  32.031  16.196  -2.932
 1113   3HZ   LYS  54          HZ3       LYS  54  32.030  16.649  -1.293
 1114    H    ARG  55           HN       ARG  55  27.935  19.189   1.367
 1115    HA   ARG  55           HA       ARG  55  29.469  18.888   3.716
 1116   1HB   ARG  55          HB2       ARG  55  27.177  20.730   3.023
 1117   2HB   ARG  55          HB1       ARG  55  28.148  20.889   4.484
 1118   1HG   ARG  55          HG2       ARG  55  29.439  20.854   1.741
 1119   2HG   ARG  55          HG1       ARG  55  28.798  22.342   2.425
 1120   1HD   ARG  55          HD2       ARG  55  30.261  22.079   4.392
 1121   2HD   ARG  55          HD1       ARG  55  30.929  20.600   3.719
 1122    HE   ARG  55           HE       ARG  55  31.514  23.314   2.863
 1123   1HH1  ARG  55          HH21      ARG  55  31.520  19.946   2.074
 1124   2HH1  ARG  55          HH22      ARG  55  32.782  20.085   0.895
 1125   1HH2  ARG  55          HH11      ARG  55  33.171  23.503   1.327
 1126   2HH2  ARG  55          HH12      ARG  55  33.716  22.099   0.472
 1127    H    ILE  56           HN       ILE  56  26.127  18.188   2.908
 1128    HA   ILE  56           HA       ILE  56  25.265  17.734   5.590
 1129    HB   ILE  56           HB       ILE  56  24.176  16.832   2.912
 1130   1HG1  ILE  56          HG12      ILE  56  24.187  19.343   3.737
 1131   2HG1  ILE  56          HG11      ILE  56  22.718  18.682   3.035
 1132   1HG2  ILE  56          HG21      ILE  56  23.334  15.187   4.402
 1133   2HG2  ILE  56          HG22      ILE  56  22.041  16.380   4.310
 1134   3HG2  ILE  56          HG23      ILE  56  23.115  16.351   5.710
 1135   1HD1  ILE  56          HD11      ILE  56  23.180  18.571   6.009
 1136   2HD1  ILE  56          HD12      ILE  56  21.666  18.501   5.121
 1137   3HD1  ILE  56          HD13      ILE  56  22.543  20.023   5.240
 1138    H    GLN  57           HN       GLN  57  26.305  15.551   2.982
 1139    HA   GLN  57           HA       GLN  57  26.006  13.146   4.393
 1140   1HB   GLN  57          HB2       GLN  57  27.927  13.918   2.180
 1141   2HB   GLN  57          HB1       GLN  57  27.696  12.266   2.754
 1142   1HG   GLN  57          HG2       GLN  57  25.323  12.363   2.167
 1143   2HG   GLN  57          HG1       GLN  57  25.500  14.037   1.660
 1144   1HE2  GLN  57          HE21      GLN  57  25.535  10.854   0.512
 1145   2HE2  GLN  57          HE22      GLN  57  26.335  11.131  -0.959
 1146    H    HIS  58           HN       HIS  58  28.767  15.365   4.125
 1147    HA   HIS  58           HA       HIS  58  30.525  13.771   5.710
 1148   1HB   HIS  58          HB2       HIS  58  30.566  16.715   4.993
 1149   2HB   HIS  58          HB1       HIS  58  31.871  15.888   5.847
 1150    HD1  HIS  58           HD1      HIS  58  32.152  13.303   4.370
 1151    HD2  HIS  58           HD2      HIS  58  31.468  16.900   2.377
 1152    HE1  HIS  58           HE1      HIS  58  32.954  12.967   1.991
 1153    HE2  HIS  58           HE2      HIS  58  32.538  15.150   0.761
 1154    H    LEU  59           HN       LEU  59  28.468  16.588   6.402
 1155    HA   LEU  59           HA       LEU  59  29.193  17.055   9.032
 1156   1HB   LEU  59          HB2       LEU  59  27.588  18.457   7.747
 1157   2HB   LEU  59          HB1       LEU  59  26.379  17.190   7.915
 1158    HG   LEU  59           HG       LEU  59  26.516  17.429  10.391
 1159   1HD1  LEU  59          HD11      LEU  59  28.649  19.424   9.668
 1160   2HD1  LEU  59          HD12      LEU  59  28.607  18.249  10.983
 1161   3HD1  LEU  59          HD13      LEU  59  27.660  19.723  11.098
 1162   1HD2  LEU  59          HD21      LEU  59  24.891  18.741   8.952
 1163   2HD2  LEU  59          HD22      LEU  59  26.000  20.104   9.071
 1164   3HD2  LEU  59          HD23      LEU  59  25.239  19.456  10.524
 1165    H    ASP  60           HN       ASP  60  27.281  14.453   7.709
 1166    HA   ASP  60           HA       ASP  60  25.946  13.550   9.986
 1167   1HB   ASP  60          HB2       ASP  60  25.598  12.610   7.726
 1168   2HB   ASP  60          HB1       ASP  60  27.183  11.851   7.810
 1169    H    GLU  61           HN       GLU  61  29.317  13.316   9.103
 1170    HA   GLU  61           HA       GLU  61  30.125  11.237  10.806
 1171   1HB   GLU  61          HB2       GLU  61  32.339  12.003  10.451
 1172   2HB   GLU  61          HB1       GLU  61  31.462  12.452   8.987
 1173   1HG   GLU  61          HG2       GLU  61  31.071  14.745  10.197
 1174   2HG   GLU  61          HG1       GLU  61  32.368  14.233  11.267
 1175    H    ALA  62           HN       ALA  62  29.537  14.655  11.422
 1176    HA   ALA  62           HA       ALA  62  30.639  14.668  14.059
 1177   1HB   ALA  62          HB1       ALA  62  28.607  16.546  12.842
 1178   2HB   ALA  62          HB2       ALA  62  30.354  16.705  12.652
 1179   3HB   ALA  62          HB3       ALA  62  29.622  16.857  14.246
 1180    H    TYR  63           HN       TYR  63  27.315  14.547  12.795
 1181    HA   TYR  63           HA       TYR  63  25.976  14.441  15.230
 1182   1HB   TYR  63          HB2       TYR  63  24.338  14.584  13.624
 1183   2HB   TYR  63          HB1       TYR  63  25.369  13.839  12.410
 1184    HD1  TYR  63           HD1      TYR  63  25.497  11.366  12.206
 1185    HD2  TYR  63           HD2      TYR  63  22.753  13.244  14.909
 1186    HE1  TYR  63           HE1      TYR  63  24.285   9.227  12.443
 1187    HE2  TYR  63           HE2      TYR  63  21.533  11.102  15.158
 1188    HH   TYR  63           HH       TYR  63  21.251   9.016  14.208
 1189    H    ASN  64           HN       ASN  64  27.434  11.840  13.304
 1190    HA   ASN  64           HA       ASN  64  26.516   9.696  14.940
 1191   1HB   ASN  64          HB2       ASN  64  27.224   9.372  12.610
 1192   2HB   ASN  64          HB1       ASN  64  28.876   9.803  13.050
 1193   1HD2  ASN  64          HD21      ASN  64  29.659   7.631  12.478
 1194   2HD2  ASN  64          HD22      ASN  64  29.314   6.293  13.462
 1195    H    LYS  65           HN       LYS  65  29.402  11.696  14.919
 1196    HA   LYS  65           HA       LYS  65  30.947  10.207  16.734
 1197   1HB   LYS  65          HB2       LYS  65  30.856  13.118  15.966
 1198   2HB   LYS  65          HB1       LYS  65  31.955  12.577  17.224
 1199   1HG   LYS  65          HG2       LYS  65  31.936  11.068  14.605
 1200   2HG   LYS  65          HG1       LYS  65  32.726  12.641  14.654
 1201   1HD   LYS  65          HD2       LYS  65  34.165  11.912  16.477
 1202   2HD   LYS  65          HD1       LYS  65  33.322  10.368  16.571
 1203   1HE   LYS  65          HE2       LYS  65  35.380  10.075  15.301
 1204   2HE   LYS  65          HE1       LYS  65  34.002   9.903  14.212
 1205   1HZ   LYS  65          HZ1       LYS  65  34.505  11.790  13.133
 1206   2HZ   LYS  65          HZ2       LYS  65  36.067  11.518  13.745
 1207   3HZ   LYS  65          HZ3       LYS  65  35.018  12.597  14.533
 1208    H    VAL  66           HN       VAL  66  28.502  12.728  17.264
 1209    HA   VAL  66           HA       VAL  66  28.872  12.875  20.074
 1210    HB   VAL  66           HB       VAL  66  26.461  13.600  18.376
 1211   1HG1  VAL  66          HG11      VAL  66  27.151  14.130  21.279
 1212   2HG1  VAL  66          HG12      VAL  66  25.695  13.375  20.627
 1213   3HG1  VAL  66          HG13      VAL  66  25.975  15.098  20.390
 1214   1HG2  VAL  66          HG21      VAL  66  28.860  15.162  19.391
 1215   2HG2  VAL  66          HG22      VAL  66  27.401  15.926  18.764
 1216   3HG2  VAL  66          HG23      VAL  66  28.377  14.897  17.715
 1217    H    LYS  67           HN       LYS  67  26.550  11.141  18.045
 1218    HA   LYS  67           HA       LYS  67  25.087   9.935  20.123
 1219   1HB   LYS  67          HB2       LYS  67  25.642   8.942  17.333
 1220   2HB   LYS  67          HB1       LYS  67  24.328   8.410  18.385
 1221   1HG   LYS  67          HG2       LYS  67  24.364  11.347  18.194
 1222   2HG   LYS  67          HG1       LYS  67  24.254  10.623  16.616
 1223   1HD   LYS  67          HD2       LYS  67  22.429  10.011  18.951
 1224   2HD   LYS  67          HD1       LYS  67  22.031  11.099  17.632
 1225   1HE   LYS  67          HE2       LYS  67  21.111   9.257  16.611
 1226   2HE   LYS  67          HE1       LYS  67  22.761   8.713  16.316
 1227   1HZ   LYS  67          HZ1       LYS  67  20.817   7.583  17.982
 1228   2HZ   LYS  67          HZ2       LYS  67  22.095   8.115  18.966
 1229   3HZ   LYS  67          HZ3       LYS  67  22.396   7.036  17.689
 1230    H    ARG  68           HN       ARG  68  27.834   8.814  18.211
 1231    HA   ARG  68           HA       ARG  68  28.013   6.235  19.308
 1232   1HB   ARG  68          HB2       ARG  68  29.100   6.978  17.189
 1233   2HB   ARG  68          HB1       ARG  68  30.232   7.933  18.146
 1234   1HG   ARG  68          HG2       ARG  68  31.100   5.965  19.226
 1235   2HG   ARG  68          HG1       ARG  68  29.853   4.953  18.505
 1236   1HD   ARG  68          HD2       ARG  68  31.845   6.510  16.850
 1237   2HD   ARG  68          HD1       ARG  68  32.126   4.850  17.370
 1238    HE   ARG  68           HE       ARG  68  29.630   4.876  16.152
 1239   1HH1  ARG  68          HH21      ARG  68  32.919   5.580  15.342
 1240   2HH1  ARG  68          HH22      ARG  68  32.743   5.154  13.672
 1241   1HH2  ARG  68          HH11      ARG  68  29.389   4.324  13.964
 1242   2HH2  ARG  68          HH12      ARG  68  30.745   4.443  12.893
 1243    H    GLY  69           HN       GLY  69  28.886   9.334  20.501
 1244   1HA   GLY  69          HA2       GLY  69  30.632   8.212  22.609
 1245   2HA   GLY  69          HA1       GLY  69  30.467   9.908  22.174
 1246    H    GLU  70           HN       GLU  70  27.457   9.445  22.031
 1247    HA   GLU  70           HA       GLU  70  26.931   9.893  24.909
 1248   1HB   GLU  70          HB2       GLU  70  25.408  10.582  22.389
 1249   2HB   GLU  70          HB1       GLU  70  24.763  10.835  24.007
 1250   1HG   GLU  70          HG2       GLU  70  27.454  11.951  23.155
 1251   2HG   GLU  70          HG1       GLU  70  25.957  12.837  22.918
 1252    H    SER  71           HN       SER  71  26.760   7.457  22.632
 1253    HA   SER  71           HA       SER  71  24.355   6.191  22.824
 1254   1HB   SER  71          HB2       SER  71  25.542   4.085  22.549
 1255   2HB   SER  71          HB1       SER  71  26.346   5.327  21.594
 1256    HG   SER  71           HG       SER  71  27.565   3.831  23.177
 1257    H    LYS  72           HN       LYS  72  23.555   4.471  24.204
 1258    HA   LYS  72           HA       LYS  72  23.465   5.198  26.907
 1259   1HB   LYS  72          HB2       LYS  72  22.846   2.541  25.589
 1260   2HB   LYS  72          HB1       LYS  72  22.387   2.978  27.236
 1261   1HG   LYS  72          HG2       LYS  72  21.090   4.889  26.378
 1262   2HG   LYS  72          HG1       LYS  72  21.559   4.471  24.729
 1263   1HD   LYS  72          HD2       LYS  72  20.441   2.278  24.965
 1264   2HD   LYS  72          HD1       LYS  72  19.970   2.695  26.613
 1265   1HE   LYS  72          HE2       LYS  72  18.658   4.598  25.774
 1266   2HE   LYS  72          HE1       LYS  72  19.151   4.223  24.123
 1267   1HZ   LYS  72          HZ1       LYS  72  17.761   2.257  25.844
 1268   2HZ   LYS  72          HZ2       LYS  72  17.971   2.214  24.159
 1269   3HZ   LYS  72          HZ3       LYS  72  16.917   3.348  24.857
 1270    H    LEU  73           HN       LEU  73  25.136   2.433  25.385
 1271    HA   LEU  73           HA       LEU  73  26.551   1.769  27.816
 1272   1HB   LEU  73          HB2       LEU  73  26.581   0.782  24.972
 1273   2HB   LEU  73          HB1       LEU  73  27.838   0.253  26.086
 1274    HG   LEU  73           HG       LEU  73  24.939   0.040  26.945
 1275   1HD1  LEU  73          HD11      LEU  73  24.899  -2.271  25.991
 1276   2HD1  LEU  73          HD12      LEU  73  26.406  -1.916  25.147
 1277   3HD1  LEU  73          HD13      LEU  73  24.941  -1.019  24.749
 1278   1HD2  LEU  73          HD21      LEU  73  27.349  -1.744  27.455
 1279   2HD2  LEU  73          HD22      LEU  73  25.792  -1.808  28.280
 1280   3HD2  LEU  73          HD23      LEU  73  26.862  -0.432  28.524
 1281    H    GLU  74           HN       GLU  74  28.512   2.362  28.446
 1282    HA   GLU  74           HA       GLU  74  30.347   3.709  26.593
 1283   1HB   GLU  74          HB2       GLU  74  29.368   4.881  29.214
 1284   2HB   GLU  74          HB1       GLU  74  30.706   5.517  28.258
 1285   1HG   GLU  74          HG2       GLU  74  29.122   5.807  26.329
 1286   2HG   GLU  74          HG1       GLU  74  27.809   5.296  27.382
 1287    H    HIS  75           HN       HIS  75  32.466   3.740  27.309
 1288    HA   HIS  75           HA       HIS  75  33.178   2.225  29.733
 1289   1HB   HIS  75          HB2       HIS  75  34.077   1.445  26.947
 1290   2HB   HIS  75          HB1       HIS  75  34.716   0.772  28.447
 1291    HD1  HIS  75           HD1      HIS  75  32.693  -0.235  30.088
 1292    HD2  HIS  75           HD2      HIS  75  31.924  -0.001  25.998
 1293    HE1  HIS  75           HE1      HIS  75  30.744  -1.786  29.637
 1294    HE2  HIS  75           HE2      HIS  75  30.262  -1.655  27.146
 1295    H    HIS  76           HN       HIS  76  34.817   3.171  30.733
 1296    HA   HIS  76           HA       HIS  76  37.093   4.245  29.394
 1297   1HB   HIS  76          HB2       HIS  76  35.462   6.054  28.889
 1298   2HB   HIS  76          HB1       HIS  76  35.206   6.281  30.619
 1299    HD1  HIS  76           HD1      HIS  76  38.168   6.194  28.208
 1300    HD2  HIS  76           HD2      HIS  76  36.945   8.155  31.677
 1301    HE1  HIS  76           HE1      HIS  76  39.971   7.891  28.745
 1302    HE2  HIS  76           HE2      HIS  76  39.239   9.095  30.857
 1303    H    HIS  77           HN       HIS  77  36.494   6.281  31.936
 1304    HA   HIS  77           HA       HIS  77  37.167   4.503  34.125
 1305   1HB   HIS  77          HB2       HIS  77  39.362   4.793  32.990
 1306   2HB   HIS  77          HB1       HIS  77  39.215   6.537  33.204
 1307    HD1  HIS  77           HD1      HIS  77  39.412   3.349  35.263
 1308    HD2  HIS  77           HD2      HIS  77  39.969   7.454  35.728
 1309    HE1  HIS  77           HE1      HIS  77  40.366   3.684  37.585
 1310    HE2  HIS  77           HE2      HIS  77  40.711   6.182  37.884
 1311    H    HIS  78           HN       HIS  78  35.601   7.065  32.966
 1312    HA   HIS  78           HA       HIS  78  34.614   8.940  33.856
 1313   1HB   HIS  78          HB2       HIS  78  34.977   7.322  36.388
 1314   2HB   HIS  78          HB1       HIS  78  33.927   8.730  36.228
 1315    HD1  HIS  78           HD1      HIS  78  32.058   8.479  34.215
 1316    HD2  HIS  78           HD2      HIS  78  33.728   4.954  35.688
 1317    HE1  HIS  78           HE1      HIS  78  30.511   6.604  33.507
 1318    HE2  HIS  78           HE2      HIS  78  31.515   4.448  34.398
 1319    H    HIS  79           HN       HIS  79  34.874  10.428  36.058
 1320    HA   HIS  79           HA       HIS  79  37.655  10.851  36.776
 1321   1HB   HIS  79          HB2       HIS  79  37.497  11.941  34.545
 1322   2HB   HIS  79          HB1       HIS  79  36.201  12.966  35.163
 1323    HD1  HIS  79           HD1      HIS  79  39.763  12.050  36.219
 1324    HD2  HIS  79           HD2      HIS  79  37.185  15.326  36.187
 1325    HE1  HIS  79           HE1      HIS  79  41.077  14.006  37.148
 1326    HE2  HIS  79           HE2      HIS  79  39.519  16.011  37.135
 1327    H    HIS  80           HN       HIS  80  37.851  11.933  38.668
 1328    HA   HIS  80           HA       HIS  80  35.916  13.747  39.701
 1329   1HB   HIS  80          HB2       HIS  80  35.109  12.331  41.577
 1330   2HB   HIS  80          HB1       HIS  80  34.567  11.742  40.006
 1331    HD1  HIS  80           HD1      HIS  80  36.499  10.762  42.980
 1332    HD2  HIS  80           HD2      HIS  80  36.135   9.441  39.043
 1333    HE1  HIS  80           HE1      HIS  80  37.518   8.445  42.905
 1334    HE2  HIS  80           HE2      HIS  80  37.304   7.626  40.510
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1  -4.178   2.355  -2.393
    2   2H    MET   1          HT2       MET   1  -5.545   2.221  -1.394
    3   3H    MET   1          HT3       MET   1  -4.396   3.440  -1.108
    4    HA   MET   1           HA       MET   1  -6.131   3.227  -3.509
    5   1HB   MET   1          HB2       MET   1  -6.185   5.075  -1.106
    6   2HB   MET   1          HB1       MET   1  -7.154   5.308  -2.560
    7   1HG   MET   1          HG2       MET   1  -8.146   3.038  -2.209
    8   2HG   MET   1          HG1       MET   1  -7.264   2.925  -0.687
    9   1HE   MET   1          HE1       MET   1  -8.024   3.725   1.462
   10   2HE   MET   1          HE2       MET   1  -8.925   5.214   1.737
   11   3HE   MET   1          HE3       MET   1  -7.347   5.279   0.961
   12    H    SER   2           HN       SER   2  -4.594   5.890  -1.736
   13    HA   SER   2           HA       SER   2  -3.759   7.258  -4.052
   14   1HB   SER   2          HB2       SER   2  -2.713   7.447  -1.218
   15   2HB   SER   2          HB1       SER   2  -2.382   8.609  -2.498
   16    HG   SER   2           HG       SER   2  -4.273   8.910  -0.950
   17    H    GLU   3           HN       GLU   3  -2.083   4.994  -1.911
   18    HA   GLU   3           HA       GLU   3  -0.098   3.867  -2.105
   19   1HB   GLU   3          HB2       GLU   3  -1.287   3.091  -4.197
   20   2HB   GLU   3          HB1       GLU   3  -0.411   4.339  -5.083
   21   1HG   GLU   3          HG2       GLU   3   0.854   2.303  -5.316
   22   2HG   GLU   3          HG1       GLU   3   1.743   3.321  -4.189
   23    H    LEU   4           HN       LEU   4   0.767   5.904  -1.090
   24    HA   LEU   4           HA       LEU   4   2.319   7.583  -0.941
   25   1HB   LEU   4          HB2       LEU   4   3.606   5.760  -2.985
   26   2HB   LEU   4          HB1       LEU   4   4.433   7.127  -2.243
   27    HG   LEU   4           HG       LEU   4   4.058   6.163  -0.012
   28   1HD1  LEU   4          HD11      LEU   4   2.621   4.036  -1.604
   29   2HD1  LEU   4          HD12      LEU   4   2.130   4.827  -0.104
   30   3HD1  LEU   4          HD13      LEU   4   3.404   3.616  -0.079
   31   1HD2  LEU   4          HD21      LEU   4   5.378   4.288  -2.010
   32   2HD2  LEU   4          HD22      LEU   4   5.693   4.316  -0.275
   33   3HD2  LEU   4          HD23      LEU   4   6.128   5.703  -1.270
   34    H    PHE   5           HN       PHE   5   3.916   7.811  -3.747
   35    HA   PHE   5           HA       PHE   5   3.938   9.333  -5.465
   36   1HB   PHE   5          HB2       PHE   5   1.967   7.926  -6.173
   37   2HB   PHE   5          HB1       PHE   5   0.915   9.095  -5.382
   38    HD1  PHE   5           HD1      PHE   5   3.393   8.621  -8.092
   39    HD2  PHE   5           HD2      PHE   5   0.454  11.250  -6.390
   40    HE1  PHE   5           HE1      PHE   5   3.502  10.051 -10.116
   41    HE2  PHE   5           HE2      PHE   5   0.563  12.681  -8.413
   42    HZ   PHE   5           HZ       PHE   5   2.085  12.081 -10.275
   43    H    SER   6           HN       SER   6   0.917  10.218  -3.795
   44    HA   SER   6           HA       SER   6   1.372  12.991  -3.972
   45   1HB   SER   6          HB2       SER   6  -0.774  11.434  -3.352
   46   2HB   SER   6          HB1       SER   6  -0.350  12.011  -1.745
   47    HG   SER   6           HG       SER   6  -0.138  14.095  -3.261
   48    H    VAL   7           HN       VAL   7   2.523  14.356  -2.762
   49    HA   VAL   7           HA       VAL   7   4.317  13.376  -0.775
   50    HB   VAL   7           HB       VAL   7   3.662  16.314  -0.978
   51   1HG1  VAL   7          HG11      VAL   7   5.447  15.484   0.542
   52   2HG1  VAL   7          HG12      VAL   7   6.056  16.570  -0.705
   53   3HG1  VAL   7          HG13      VAL   7   6.305  14.833  -0.856
   54   1HG2  VAL   7          HG21      VAL   7   5.201  16.413  -2.997
   55   2HG2  VAL   7          HG22      VAL   7   3.611  15.723  -3.310
   56   3HG2  VAL   7          HG23      VAL   7   5.010  14.664  -3.137
   57    HA   PRO   8           HA       PRO   8   1.102  15.759   2.131
   58   1HB   PRO   8          HB2       PRO   8  -1.319  14.611   0.749
   59   2HB   PRO   8          HB1       PRO   8  -1.137  16.173   1.580
   60   1HG   PRO   8          HG2       PRO   8  -1.167  16.091  -1.055
   61   2HG   PRO   8          HG1       PRO   8   0.011  17.130  -0.222
   62   1HD   PRO   8          HD2       PRO   8   0.462  14.436  -1.486
   63   2HD   PRO   8          HD1       PRO   8   1.503  15.863  -1.557
   64    H    TYR   9           HN       TYR   9   0.878  12.594   0.646
   65    HA   TYR   9           HA       TYR   9  -0.449  11.194   2.689
   66   1HB   TYR   9          HB2       TYR   9  -0.018  10.249   0.445
   67   2HB   TYR   9          HB1       TYR   9   1.707  10.192   0.806
   68    HD1  TYR   9           HD1      TYR   9  -1.624   8.891   1.809
   69    HD2  TYR   9           HD2      TYR   9   2.630   8.427   2.176
   70    HE1  TYR   9           HE1      TYR   9  -1.960   6.703   2.928
   71    HE2  TYR   9           HE2      TYR   9   2.296   6.240   3.295
   72    HH   TYR   9           HH       TYR   9  -0.399   5.285   4.686
   73    H    PHE  10           HN       PHE  10   2.998  11.899   2.202
   74    HA   PHE  10           HA       PHE  10   4.031  10.398   4.335
   75   1HB   PHE  10          HB2       PHE  10   4.962  12.601   2.601
   76   2HB   PHE  10          HB1       PHE  10   5.695  12.655   4.199
   77    HD1  PHE  10           HD2      PHE  10   4.628   9.800   2.004
   78    HD2  PHE  10           HD1      PHE  10   7.873  11.740   4.047
   79    HE1  PHE  10           HE2      PHE  10   6.146   7.951   1.351
   80    HE2  PHE  10           HE1      PHE  10   9.384   9.890   3.391
   81    HZ   PHE  10           HZ       PHE  10   8.529   7.998   2.054
   82    H    ILE  11           HN       ILE  11   2.691  13.681   4.273
   83    HA   ILE  11           HA       ILE  11   3.331  14.303   6.972
   84    HB   ILE  11           HB       ILE  11   1.098  15.442   5.277
   85   1HG1  ILE  11          HG12      ILE  11   3.969  16.406   5.592
   86   2HG1  ILE  11          HG11      ILE  11   3.375  15.525   4.186
   87   1HG2  ILE  11          HG21      ILE  11   2.667  16.604   7.602
   88   2HG2  ILE  11          HG22      ILE  11   1.029  15.975   7.724
   89   3HG2  ILE  11          HG23      ILE  11   1.353  17.390   6.738
   90   1HD1  ILE  11          HD11      ILE  11   3.294  17.881   3.680
   91   2HD1  ILE  11          HD12      ILE  11   2.425  18.220   5.174
   92   3HD1  ILE  11          HD13      ILE  11   1.639  17.315   3.881
   93    H    GLU  12           HN       GLU  12   0.432  13.007   5.397
   94    HA   GLU  12           HA       GLU  12  -1.341  12.980   7.536
   95   1HB   GLU  12          HB2       GLU  12  -0.966  10.992   5.285
   96   2HB   GLU  12          HB1       GLU  12  -2.317  10.914   6.413
   97   1HG   GLU  12          HG2       GLU  12  -1.668  13.380   4.774
   98   2HG   GLU  12          HG1       GLU  12  -2.805  12.143   4.248
   99    H    ASN  13           HN       ASN  13   1.408  10.873   6.927
  100    HA   ASN  13           HA       ASN  13   0.754   8.871   8.858
  101   1HB   ASN  13          HB2       ASN  13   3.399   9.690   7.633
  102   2HB   ASN  13          HB1       ASN  13   3.178   8.273   8.655
  103   1HD2  ASN  13          HD21      ASN  13   3.529   8.938   5.499
  104   2HD2  ASN  13          HD22      ASN  13   2.478   7.797   4.812
  105    H    LEU  14           HN       LEU  14   2.383  11.971   8.987
  106    HA   LEU  14           HA       LEU  14   3.512  11.652  11.605
  107   1HB   LEU  14          HB2       LEU  14   2.877  14.265  10.214
  108   2HB   LEU  14          HB1       LEU  14   4.144  13.945  11.400
  109    HG   LEU  14           HG       LEU  14   4.011  12.747   8.617
  110   1HD1  LEU  14          HD11      LEU  14   4.532  15.238   8.790
  111   2HD1  LEU  14          HD12      LEU  14   5.745  14.240   7.991
  112   3HD1  LEU  14          HD13      LEU  14   5.992  14.761   9.650
  113   1HD2  LEU  14          HD21      LEU  14   6.405  12.110   9.193
  114   2HD2  LEU  14          HD22      LEU  14   5.159  11.199  10.027
  115   3HD2  LEU  14          HD23      LEU  14   6.017  12.494  10.866
  116    H    LYS  15           HN       LYS  15   0.536  13.033  10.294
  117    HA   LYS  15           HA       LYS  15  -0.407  14.325  12.567
  118   1HB   LYS  15          HB2       LYS  15  -1.871  12.964  10.301
  119   2HB   LYS  15          HB1       LYS  15  -2.710  13.855  11.572
  120   1HG   LYS  15          HG2       LYS  15  -1.373  15.873  11.026
  121   2HG   LYS  15          HG1       LYS  15  -0.583  14.981   9.724
  122   1HD   LYS  15          HD2       LYS  15  -2.692  14.684   8.566
  123   2HD   LYS  15          HD1       LYS  15  -3.583  15.386   9.916
  124   1HE   LYS  15          HE2       LYS  15  -3.324  17.074   8.181
  125   2HE   LYS  15          HE1       LYS  15  -2.334  17.523   9.568
  126   1HZ   LYS  15          HZ1       LYS  15  -0.893  15.845   7.798
  127   2HZ   LYS  15          HZ2       LYS  15  -0.514  17.409   8.342
  128   3HZ   LYS  15          HZ3       LYS  15  -1.493  17.198   6.969
  129    H    GLN  16           HN       GLN  16  -0.436  10.927  11.690
  130    HA   GLN  16           HA       GLN  16  -2.238  10.060  13.716
  131   1HB   GLN  16          HB2       GLN  16  -1.675   8.714  11.710
  132   2HB   GLN  16          HB1       GLN  16  -0.039   8.501  12.336
  133   1HG   GLN  16          HG2       GLN  16  -0.870   7.329  14.287
  134   2HG   GLN  16          HG1       GLN  16  -2.537   7.688  13.846
  135   1HE2  GLN  16          HE21      GLN  16  -1.503   4.990  14.188
  136   2HE2  GLN  16          HE22      GLN  16  -1.605   4.220  12.680
  137    H    HIS  17           HN       HIS  17   1.224  10.648  13.617
  138    HA   HIS  17           HA       HIS  17   1.884   9.317  16.033
  139   1HB   HIS  17          HB2       HIS  17   3.247  11.667  14.698
  140   2HB   HIS  17          HB1       HIS  17   3.937  10.682  15.979
  141    HD1  HIS  17           HD1      HIS  17   5.483  10.647  13.423
  142    HD2  HIS  17           HD2      HIS  17   2.319   8.016  14.098
  143    HE1  HIS  17           HE1      HIS  17   5.844   8.675  11.877
  144    HE2  HIS  17           HE2      HIS  17   3.926   7.062  12.278
  145    H    ILE  18           HN       ILE  18   1.241  12.768  15.371
  146    HA   ILE  18           HA       ILE  18   1.341  13.505  18.148
  147    HB   ILE  18           HB       ILE  18   0.560  15.691  17.376
  148   1HG1  ILE  18          HG12      ILE  18   0.029  14.198  14.796
  149   2HG1  ILE  18          HG11      ILE  18  -1.156  15.035  15.785
  150   1HG2  ILE  18          HG21      ILE  18   2.946  14.818  16.937
  151   2HG2  ILE  18          HG22      ILE  18   2.435  16.208  15.992
  152   3HG2  ILE  18          HG23      ILE  18   2.446  14.602  15.262
  153   1HD1  ILE  18          HD11      ILE  18   0.246  17.165  15.337
  154   2HD1  ILE  18          HD12      ILE  18  -0.740  16.538  14.014
  155   3HD1  ILE  18          HD13      ILE  18   0.996  16.229  14.042
  156    H    GLU  19           HN       GLU  19  -1.244  12.754  15.857
  157    HA   GLU  19           HA       GLU  19  -3.414  13.442  17.580
  158   1HB   GLU  19          HB2       GLU  19  -3.626  13.227  15.122
  159   2HB   GLU  19          HB1       GLU  19  -3.362  11.490  15.265
  160   1HG   GLU  19          HG2       GLU  19  -5.385  11.250  16.608
  161   2HG   GLU  19          HG1       GLU  19  -5.617  12.997  16.622
  162    H    MET  20           HN       MET  20  -2.059  10.250  16.691
  163    HA   MET  20           HA       MET  20  -3.448   9.036  19.010
  164   1HB   MET  20          HB2       MET  20  -1.938   7.711  16.734
  165   2HB   MET  20          HB1       MET  20  -2.898   6.895  17.965
  166   1HG   MET  20          HG2       MET  20  -4.898   8.183  17.201
  167   2HG   MET  20          HG1       MET  20  -3.920   8.867  15.902
  168   1HE   MET  20          HE1       MET  20  -4.915   8.137  13.845
  169   2HE   MET  20          HE2       MET  20  -6.320   7.716  14.823
  170   3HE   MET  20          HE3       MET  20  -5.748   6.596  13.590
  171    H    ASN  21           HN       ASN  21  -0.255   8.640  17.454
  172    HA   ASN  21           HA       ASN  21   1.867   8.681  18.345
  173   1HB   ASN  21          HB2       ASN  21   0.739  10.354  20.086
  174   2HB   ASN  21          HB1       ASN  21   0.848   8.984  21.175
  175   1HD2  ASN  21          HD21      ASN  21   2.637   9.257  22.467
  176   2HD2  ASN  21          HD22      ASN  21   4.158   9.793  21.938
  177    H    GLN  22           HN       GLN  22   0.646   6.354  17.750
  178    HA   GLN  22           HA       GLN  22   0.330   4.448  19.722
  179   1HB   GLN  22          HB2       GLN  22  -0.132   4.157  17.258
  180   2HB   GLN  22          HB1       GLN  22   1.602   3.946  17.019
  181   1HG   GLN  22          HG2       GLN  22   0.645   1.746  17.210
  182   2HG   GLN  22          HG1       GLN  22   1.513   2.053  18.709
  183   1HE2  GLN  22          HE21      GLN  22  -1.786   2.289  17.303
  184   2HE2  GLN  22          HE22      GLN  22  -2.595   1.985  18.764
  185    H    SER  23           HN       SER  23   3.290   5.562  18.134
  186    HA   SER  23           HA       SER  23   4.904   4.692  20.382
  187   1HB   SER  23          HB2       SER  23   6.337   3.191  19.145
  188   2HB   SER  23          HB1       SER  23   4.677   2.623  18.988
  189    HG   SER  23           HG       SER  23   5.275   2.669  16.935
  190    H    GLU  24           HN       GLU  24   4.785   7.176  19.997
  191    HA   GLU  24           HA       GLU  24   7.354   7.950  18.940
  192   1HB   GLU  24          HB2       GLU  24   5.682   7.852  16.936
  193   2HB   GLU  24          HB1       GLU  24   4.995   9.316  17.625
  194   1HG   GLU  24          HG2       GLU  24   6.626  10.078  16.049
  195   2HG   GLU  24          HG1       GLU  24   7.397  10.258  17.624
  196    H    ASP  25           HN       ASP  25   5.822  10.694  18.540
  197    HA   ASP  25           HA       ASP  25   5.184  11.427  21.286
  198   1HB   ASP  25          HB2       ASP  25   7.682  12.439  19.905
  199   2HB   ASP  25          HB1       ASP  25   6.985  13.179  21.352
  200    H    LYS  26           HN       LYS  26   5.312  14.074  21.196
  201    HA   LYS  26           HA       LYS  26   3.256  14.748  19.277
  202   1HB   LYS  26          HB2       LYS  26   3.291  15.582  21.615
  203   2HB   LYS  26          HB1       LYS  26   4.700  16.555  21.214
  204   1HG   LYS  26          HG2       LYS  26   3.395  17.754  19.497
  205   2HG   LYS  26          HG1       LYS  26   2.002  16.723  19.833
  206   1HD   LYS  26          HD2       LYS  26   1.730  18.847  21.014
  207   2HD   LYS  26          HD1       LYS  26   1.980  17.557  22.184
  208   1HE   LYS  26          HE2       LYS  26   4.370  19.123  21.214
  209   2HE   LYS  26          HE1       LYS  26   3.313  19.827  22.438
  210   1HZ   LYS  26          HZ1       LYS  26   3.997  17.078  22.941
  211   2HZ   LYS  26          HZ2       LYS  26   4.027  18.416  23.986
  212   3HZ   LYS  26          HZ3       LYS  26   5.337  18.118  22.945
  213    H    ILE  27           HN       ILE  27   5.466  17.312  19.848
  214    HA   ILE  27           HA       ILE  27   5.853  17.829  17.092
  215    HB   ILE  27           HB       ILE  27   5.933  19.575  18.788
  216   1HG1  ILE  27          HG12      ILE  27   8.676  19.334  17.504
  217   2HG1  ILE  27          HG11      ILE  27   7.230  19.718  16.574
  218   1HG2  ILE  27          HG21      ILE  27   8.570  18.350  19.649
  219   2HG2  ILE  27          HG22      ILE  27   7.056  18.138  20.528
  220   3HG2  ILE  27          HG23      ILE  27   7.761  19.745  20.363
  221   1HD1  ILE  27          HD11      ILE  27   8.768  21.628  17.633
  222   2HD1  ILE  27          HD12      ILE  27   7.726  21.356  19.026
  223   3HD1  ILE  27          HD13      ILE  27   7.026  21.810  17.470
  224    H    HIS  28           HN       HIS  28   7.791  16.163  19.507
  225    HA   HIS  28           HA       HIS  28  10.149  15.926  17.927
  226   1HB   HIS  28          HB2       HIS  28   9.150  14.242  20.232
  227   2HB   HIS  28          HB1       HIS  28  10.781  14.190  19.572
  228    HD1  HIS  28           HD1      HIS  28  11.813  16.861  19.414
  229    HD2  HIS  28           HD2      HIS  28   9.060  15.923  22.402
  230    HE1  HIS  28           HE1      HIS  28  12.078  18.625  21.212
  231    HE2  HIS  28           HE2      HIS  28  10.406  18.067  23.040
  232    H    ALA  29           HN       ALA  29   7.359  15.020  16.876
  233    HA   ALA  29           HA       ALA  29   7.706  12.211  16.325
  234   1HB   ALA  29          HB1       ALA  29   5.761  14.250  15.223
  235   2HB   ALA  29          HB2       ALA  29   5.457  13.090  16.511
  236   3HB   ALA  29          HB3       ALA  29   5.715  12.524  14.868
  237    H    MET  30           HN       MET  30   7.975  15.239  14.527
  238    HA   MET  30           HA       MET  30   8.603  14.085  12.050
  239   1HB   MET  30          HB2       MET  30   7.980  16.404  12.131
  240   2HB   MET  30          HB1       MET  30   9.274  16.774  13.264
  241   1HG   MET  30          HG2       MET  30   9.734  17.443  10.868
  242   2HG   MET  30          HG1       MET  30  10.963  16.439  11.583
  243   1HE   MET  30          HE1       MET  30   7.662  16.463   9.782
  244   2HE   MET  30          HE2       MET  30   7.869  15.368   8.408
  245   3HE   MET  30          HE3       MET  30   8.768  16.874   8.462
  246    H    ASN  31           HN       ASN  31  10.694  15.308  14.672
  247    HA   ASN  31           HA       ASN  31  13.164  15.005  13.512
  248   1HB   ASN  31          HB2       ASN  31  12.799  15.846  15.808
  249   2HB   ASN  31          HB1       ASN  31  12.438  14.206  16.341
  250   1HD2  ASN  31          HD21      ASN  31  14.570  15.511  17.560
  251   2HD2  ASN  31          HD22      ASN  31  16.035  14.828  17.045
  252    H    SER  32           HN       SER  32  11.445  12.430  15.318
  253    HA   SER  32           HA       SER  32  13.307  10.386  14.726
  254   1HB   SER  32          HB2       SER  32  10.348  10.209  15.287
  255   2HB   SER  32          HB1       SER  32  11.459   8.841  15.303
  256    HG   SER  32           HG       SER  32  10.997   9.993  17.372
  257    H    TYR  33           HN       TYR  33  10.208  11.204  13.150
  258    HA   TYR  33           HA       TYR  33  10.417   9.253  11.087
  259   1HB   TYR  33          HB2       TYR  33   8.264  10.281  11.731
  260   2HB   TYR  33          HB1       TYR  33   8.837  11.847  11.159
  261    HD1  TYR  33           HD1      TYR  33   9.343  12.199   8.751
  262    HD2  TYR  33           HD2      TYR  33   7.503   8.590  10.173
  263    HE1  TYR  33           HE1      TYR  33   8.651  11.636   6.433
  264    HE2  TYR  33           HE2      TYR  33   6.797   8.033   7.861
  265    HH   TYR  33           HH       TYR  33   6.340   9.355   5.706
  266    H    TYR  34           HN       TYR  34  11.820  12.375  11.537
  267    HA   TYR  34           HA       TYR  34  12.286  12.999   8.767
  268   1HB   TYR  34          HB2       TYR  34  12.257  14.706  10.615
  269   2HB   TYR  34          HB1       TYR  34  13.768  14.038  11.205
  270    HD1  TYR  34           HD1      TYR  34  15.817  14.181   9.818
  271    HD2  TYR  34           HD2      TYR  34  12.155  16.099   8.644
  272    HE1  TYR  34           HE1      TYR  34  17.064  15.547   8.167
  273    HE2  TYR  34           HE2      TYR  34  13.407  17.455   6.982
  274    HH   TYR  34           HH       TYR  34  16.915  17.038   6.525
  275    H    ARG  35           HN       ARG  35  14.526  12.095  11.395
  276    HA   ARG  35           HA       ARG  35  16.714  11.589   9.712
  277   1HB   ARG  35          HB2       ARG  35  17.700  10.461  11.639
  278   2HB   ARG  35          HB1       ARG  35  16.894  11.940  12.162
  279   1HG   ARG  35          HG2       ARG  35  14.871  10.544  12.728
  280   2HG   ARG  35          HG1       ARG  35  15.829   9.106  12.394
  281   1HD   ARG  35          HD2       ARG  35  16.572  11.219  14.429
  282   2HD   ARG  35          HD1       ARG  35  15.765   9.704  14.815
  283    HE   ARG  35           HE       ARG  35  18.106   9.120  13.361
  284   1HH1  ARG  35          HH21      ARG  35  17.058  10.423  16.391
  285   2HH1  ARG  35          HH22      ARG  35  18.457   9.891  17.262
  286   1HH2  ARG  35          HH11      ARG  35  19.946   8.419  14.497
  287   2HH2  ARG  35          HH12      ARG  35  20.092   8.756  16.190
  288    H    SER  36           HN       SER  36  13.921   9.695  10.549
  289    HA   SER  36           HA       SER  36  14.960   7.140   9.911
  290   1HB   SER  36          HB2       SER  36  12.879   7.430  11.187
  291   2HB   SER  36          HB1       SER  36  12.104   8.141   9.773
  292    HG   SER  36           HG       SER  36  11.741   6.184   9.122
  293    H    VAL  37           HN       VAL  37  13.102   9.505   8.010
  294    HA   VAL  37           HA       VAL  37  13.164   7.926   5.618
  295    HB   VAL  37           HB       VAL  37  12.564  10.853   6.132
  296   1HG1  VAL  37          HG11      VAL  37  12.549   9.284   3.540
  297   2HG1  VAL  37          HG12      VAL  37  13.315  10.841   3.869
  298   3HG1  VAL  37          HG13      VAL  37  11.562  10.729   3.761
  299   1HG2  VAL  37          HG21      VAL  37  10.921   9.293   7.022
  300   2HG2  VAL  37          HG22      VAL  37  10.851   8.431   5.484
  301   3HG2  VAL  37          HG23      VAL  37  10.252  10.080   5.597
  302    H    VAL  38           HN       VAL  38  15.011  10.754   6.736
  303    HA   VAL  38           HA       VAL  38  16.633  10.973   4.431
  304    HB   VAL  38           HB       VAL  38  17.197  11.786   7.301
  305   1HG1  VAL  38          HG11      VAL  38  18.814  13.402   6.206
  306   2HG1  VAL  38          HG12      VAL  38  18.614  12.484   4.715
  307   3HG1  VAL  38          HG13      VAL  38  19.314  11.713   6.137
  308   1HG2  VAL  38          HG21      VAL  38  15.271  12.962   6.524
  309   2HG2  VAL  38          HG22      VAL  38  15.940  13.173   4.919
  310   3HG2  VAL  38          HG23      VAL  38  16.604  14.078   6.272
  311    H    SER  39           HN       SER  39  17.368   9.458   7.593
  312    HA   SER  39           HA       SER  39  19.869   8.432   6.838
  313   1HB   SER  39          HB2       SER  39  17.986   7.156   8.833
  314   2HB   SER  39          HB1       SER  39  19.738   7.020   8.777
  315    HG   SER  39           HG       SER  39  19.871   8.836   9.803
  316    H    THR  40           HN       THR  40  16.707   7.488   5.934
  317    HA   THR  40           HA       THR  40  17.486   4.762   5.196
  318    HB   THR  40           HB       THR  40  14.891   6.289   4.922
  319    HG1  THR  40           HG1      THR  40  14.382   4.364   6.324
  320   1HG2  THR  40          HG21      THR  40  14.029   3.934   4.292
  321   2HG2  THR  40          HG22      THR  40  15.713   3.548   3.921
  322   3HG2  THR  40          HG23      THR  40  14.885   4.831   3.037
  323    H    LEU  41           HN       LEU  41  16.421   7.733   3.541
  324    HA   LEU  41           HA       LEU  41  16.823   6.670   0.916
  325   1HB   LEU  41          HB2       LEU  41  16.535   9.502   1.923
  326   2HB   LEU  41          HB1       LEU  41  16.577   9.069   0.216
  327    HG   LEU  41           HG       LEU  41  14.565   8.013   2.230
  328   1HD1  LEU  41          HD11      LEU  41  14.356  10.455   1.758
  329   2HD1  LEU  41          HD12      LEU  41  12.963   9.530   1.205
  330   3HD1  LEU  41          HD13      LEU  41  14.169  10.081   0.044
  331   1HD2  LEU  41          HD21      LEU  41  14.526   6.375   0.556
  332   2HD2  LEU  41          HD22      LEU  41  15.021   7.497  -0.712
  333   3HD2  LEU  41          HD23      LEU  41  13.363   7.514  -0.116
  334    H    VAL  42           HN       VAL  42  18.734   8.753   3.048
  335    HA   VAL  42           HA       VAL  42  20.889   9.032   1.146
  336    HB   VAL  42           HB       VAL  42  20.820   9.698   4.101
  337   1HG1  VAL  42          HG11      VAL  42  22.862  10.088   1.926
  338   2HG1  VAL  42          HG12      VAL  42  23.097   9.918   3.663
  339   3HG1  VAL  42          HG13      VAL  42  22.593  11.462   2.997
  340   1HG2  VAL  42          HG21      VAL  42  20.124  11.301   1.617
  341   2HG2  VAL  42          HG22      VAL  42  20.376  12.022   3.206
  342   3HG2  VAL  42          HG23      VAL  42  19.056  10.878   2.957
  343    H    GLN  43           HN       GLN  43  20.058   6.303   1.978
  344    HA   GLN  43           HA       GLN  43  22.722   5.288   2.599
  345   1HB   GLN  43          HB2       GLN  43  20.291   4.684   4.284
  346   2HB   GLN  43          HB1       GLN  43  21.758   3.708   4.312
  347   1HG   GLN  43          HG2       GLN  43  23.054   5.803   4.877
  348   2HG   GLN  43          HG1       GLN  43  21.514   6.641   5.050
  349   1HE2  GLN  43          HE21      GLN  43  21.377   6.915   7.320
  350   2HE2  GLN  43          HE22      GLN  43  21.462   5.633   8.430
  351    H    ASP  44           HN       ASP  44  20.116   5.249   0.680
  352    HA   ASP  44           HA       ASP  44  20.795   2.603  -0.376
  353   1HB   ASP  44          HB2       ASP  44  18.937   2.265   1.276
  354   2HB   ASP  44          HB1       ASP  44  17.934   3.336   0.300
  355    H    GLN  45           HN       GLN  45  19.620   2.221  -2.461
  356    HA   GLN  45           HA       GLN  45  19.052   2.870  -4.587
  357   1HB   GLN  45          HB2       GLN  45  17.186   4.076  -3.493
  358   2HB   GLN  45          HB1       GLN  45  18.218   5.482  -3.284
  359   1HG   GLN  45          HG2       GLN  45  18.475   5.752  -5.654
  360   2HG   GLN  45          HG1       GLN  45  17.622   4.243  -5.966
  361   1HE2  GLN  45          HE21      GLN  45  15.496   4.611  -6.594
  362   2HE2  GLN  45          HE22      GLN  45  14.525   5.892  -6.046
  363    H    LEU  46           HN       LEU  46  20.272   5.853  -3.052
  364    HA   LEU  46           HA       LEU  46  21.791   7.411  -3.900
  365   1HB   LEU  46          HB2       LEU  46  23.295   4.796  -3.938
  366   2HB   LEU  46          HB1       LEU  46  24.078   6.370  -4.091
  367    HG   LEU  46           HG       LEU  46  22.223   5.846  -1.758
  368   1HD1  LEU  46          HD11      LEU  46  23.786   3.962  -1.717
  369   2HD1  LEU  46          HD12      LEU  46  24.198   5.102  -0.436
  370   3HD1  LEU  46          HD13      LEU  46  25.152   5.060  -1.920
  371   1HD2  LEU  46          HD21      LEU  46  23.735   7.457  -0.636
  372   2HD2  LEU  46          HD22      LEU  46  23.068   8.154  -2.107
  373   3HD2  LEU  46          HD23      LEU  46  24.723   7.550  -2.091
  374    H    THR  47           HN       THR  47  20.062   6.701  -5.941
  375    HA   THR  47           HA       THR  47  21.508   5.885  -8.291
  376    HB   THR  47           HB       THR  47  19.089   5.453  -7.962
  377    HG1  THR  47           HG1      THR  47  18.621   5.843 -10.066
  378   1HG2  THR  47          HG21      THR  47  18.639   7.728  -6.915
  379   2HG2  THR  47          HG22      THR  47  17.483   7.211  -8.141
  380   3HG2  THR  47          HG23      THR  47  18.726   8.392  -8.542
  381    H    LYS  48           HN       LYS  48  20.625   8.886  -6.768
  382    HA   LYS  48           HA       LYS  48  22.547  10.366  -8.261
  383   1HB   LYS  48          HB2       LYS  48  20.951  10.239 -10.053
  384   2HB   LYS  48          HB1       LYS  48  19.634  10.684  -8.982
  385   1HG   LYS  48          HG2       LYS  48  20.186  12.929  -8.961
  386   2HG   LYS  48          HG1       LYS  48  21.912  12.636  -9.116
  387   1HD   LYS  48          HD2       LYS  48  20.071  12.032 -11.446
  388   2HD   LYS  48          HD1       LYS  48  20.604  13.688 -11.143
  389   1HE   LYS  48          HE2       LYS  48  22.929  13.034 -11.278
  390   2HE   LYS  48          HE1       LYS  48  22.494  11.335 -11.410
  391   1HZ   LYS  48          HZ1       LYS  48  22.865  12.000 -13.589
  392   2HZ   LYS  48          HZ2       LYS  48  22.080  13.492 -13.382
  393   3HZ   LYS  48          HZ3       LYS  48  21.176  12.055 -13.447
  394    H    ASN  49           HN       ASN  49  23.144  12.063  -7.071
  395    HA   ASN  49           HA       ASN  49  22.222  12.573  -4.535
  396   1HB   ASN  49          HB2       ASN  49  23.421  14.615  -6.390
  397   2HB   ASN  49          HB1       ASN  49  23.388  14.688  -4.627
  398   1HD2  ASN  49          HD21      ASN  49  25.712  14.414  -6.648
  399   2HD2  ASN  49          HD22      ASN  49  26.587  13.080  -6.069
  400    H    ALA  50           HN       ALA  50  21.128  13.983  -7.590
  401    HA   ALA  50           HA       ALA  50  19.452  15.964  -6.444
  402   1HB   ALA  50          HB1       ALA  50  18.734  14.766  -9.106
  403   2HB   ALA  50          HB2       ALA  50  20.275  15.606  -8.954
  404   3HB   ALA  50          HB3       ALA  50  18.770  16.459  -8.612
  405    H    VAL  51           HN       VAL  51  18.762  12.692  -7.663
  406    HA   VAL  51           HA       VAL  51  16.000  12.628  -7.234
  407    HB   VAL  51           HB       VAL  51  18.106  10.469  -7.166
  408   1HG1  VAL  51          HG11      VAL  51  16.068   8.857  -7.269
  409   2HG1  VAL  51          HG12      VAL  51  15.147  10.185  -6.572
  410   3HG1  VAL  51          HG13      VAL  51  16.512   9.501  -5.691
  411   1HG2  VAL  51          HG21      VAL  51  17.429  11.568  -9.317
  412   2HG2  VAL  51          HG22      VAL  51  15.784  10.990  -9.052
  413   3HG2  VAL  51          HG23      VAL  51  17.093   9.840  -9.291
  414    H    VAL  52           HN       VAL  52  18.615  11.882  -4.933
  415    HA   VAL  52           HA       VAL  52  16.742  11.323  -2.789
  416    HB   VAL  52           HB       VAL  52  18.777  11.214  -1.375
  417   1HG1  VAL  52          HG11      VAL  52  18.981   9.783  -4.041
  418   2HG1  VAL  52          HG12      VAL  52  18.008   9.250  -2.669
  419   3HG1  VAL  52          HG13      VAL  52  19.768   9.280  -2.546
  420   1HG2  VAL  52          HG21      VAL  52  20.981  11.404  -2.537
  421   2HG2  VAL  52          HG22      VAL  52  20.118  12.940  -2.489
  422   3HG2  VAL  52          HG23      VAL  52  20.131  11.983  -3.959
  423    H    LEU  53           HN       LEU  53  18.705  14.064  -3.828
  424    HA   LEU  53           HA       LEU  53  18.393  15.672  -1.518
  425   1HB   LEU  53          HB2       LEU  53  20.012  16.186  -3.313
  426   2HB   LEU  53          HB1       LEU  53  18.672  16.556  -4.386
  427    HG   LEU  53           HG       LEU  53  17.975  18.395  -2.866
  428   1HD1  LEU  53          HD11      LEU  53  19.869  19.091  -1.189
  429   2HD1  LEU  53          HD12      LEU  53  20.328  17.392  -1.266
  430   3HD1  LEU  53          HD13      LEU  53  18.718  17.848  -0.710
  431   1HD2  LEU  53          HD21      LEU  53  20.845  18.449  -3.855
  432   2HD2  LEU  53          HD22      LEU  53  19.919  19.883  -3.409
  433   3HD2  LEU  53          HD23      LEU  53  19.404  18.889  -4.771
  434    H    LYS  54           HN       LYS  54  16.489  15.546  -4.536
  435    HA   LYS  54           HA       LYS  54  14.697  17.590  -4.050
  436   1HB   LYS  54          HB2       LYS  54  13.364  16.668  -5.749
  437   2HB   LYS  54          HB1       LYS  54  14.921  15.912  -6.085
  438   1HG   LYS  54          HG2       LYS  54  14.154  13.965  -4.667
  439   2HG   LYS  54          HG1       LYS  54  12.558  14.677  -4.627
  440   1HD   LYS  54          HD2       LYS  54  12.404  14.556  -7.061
  441   2HD   LYS  54          HD1       LYS  54  14.034  13.891  -7.146
  442   1HE   LYS  54          HE2       LYS  54  12.438  12.048  -7.257
  443   2HE   LYS  54          HE1       LYS  54  13.277  11.981  -5.707
  444   1HZ   LYS  54          HZ1       LYS  54  11.443  12.731  -4.574
  445   2HZ   LYS  54          HZ2       LYS  54  10.706  11.801  -5.789
  446   3HZ   LYS  54          HZ3       LYS  54  10.765  13.493  -5.929
  447    H    ARG  55           HN       ARG  55  14.673  14.296  -2.790
  448    HA   ARG  55           HA       ARG  55  12.127  14.374  -1.572
  449   1HB   ARG  55          HB2       ARG  55  14.604  12.749  -1.001
  450   2HB   ARG  55          HB1       ARG  55  13.090  12.488  -0.153
  451   1HG   ARG  55          HG2       ARG  55  13.095  12.492  -3.177
  452   2HG   ARG  55          HG1       ARG  55  13.666  11.065  -2.323
  453   1HD   ARG  55          HD2       ARG  55  10.974  12.348  -1.800
  454   2HD   ARG  55          HD1       ARG  55  11.225  11.013  -2.919
  455    HE   ARG  55           HE       ARG  55  12.360  10.339  -0.426
  456   1HH1  ARG  55          HH21      ARG  55   9.313  10.919  -1.961
  457   2HH1  ARG  55          HH22      ARG  55   8.432   9.835  -0.937
  458   1HH2  ARG  55          HH11      ARG  55  11.213   8.911   0.920
  459   2HH2  ARG  55          HH12      ARG  55   9.510   8.697   0.692
  460    H    ILE  56           HN       ILE  56  15.351  15.289  -0.453
  461    HA   ILE  56           HA       ILE  56  14.679  15.737   2.256
  462    HB   ILE  56           HB       ILE  56  16.791  17.105   0.582
  463   1HG1  ILE  56          HG12      ILE  56  17.019  14.690   0.440
  464   2HG1  ILE  56          HG11      ILE  56  18.296  15.335   1.443
  465   1HG2  ILE  56          HG21      ILE  56  17.950  17.299   2.782
  466   2HG2  ILE  56          HG22      ILE  56  16.468  16.738   3.560
  467   3HG2  ILE  56          HG23      ILE  56  16.478  18.259   2.664
  468   1HD1  ILE  56          HD11      ILE  56  17.605  13.505   2.697
  469   2HD1  ILE  56          HD12      ILE  56  15.917  13.677   2.224
  470   3HD1  ILE  56          HD13      ILE  56  16.617  14.778   3.406
  471    H    GLN  57           HN       GLN  57  14.925  18.009  -0.497
  472    HA   GLN  57           HA       GLN  57  14.185  20.356   0.799
  473   1HB   GLN  57          HB2       GLN  57  13.623  19.420  -2.030
  474   2HB   GLN  57          HB1       GLN  57  13.353  21.073  -1.478
  475   1HG   GLN  57          HG2       GLN  57  16.024  19.651  -1.279
  476   2HG   GLN  57          HG1       GLN  57  15.576  20.714  -2.612
  477   1HE2  GLN  57          HE21      GLN  57  17.372  20.803   0.112
  478   2HE2  GLN  57          HE22      GLN  57  17.125  22.414   0.588
  479    H    HIS  58           HN       HIS  58  12.110  17.899  -0.728
  480    HA   HIS  58           HA       HIS  58   9.662  19.221  -0.219
  481   1HB   HIS  58          HB2       HIS  58  10.322  16.290  -0.635
  482   2HB   HIS  58          HB1       HIS  58   8.676  16.912  -0.529
  483    HD1  HIS  58           HD1      HIS  58  11.615  18.523  -2.298
  484    HD2  HIS  58           HD2      HIS  58   7.918  16.832  -3.223
  485    HE1  HIS  58           HE1      HIS  58  11.222  18.963  -4.761
  486    HE2  HIS  58           HE2      HIS  58   8.972  17.938  -5.340
  487    H    LEU  59           HN       LEU  59  11.599  16.916   1.633
  488    HA   LEU  59           HA       LEU  59   9.763  16.251   3.627
  489   1HB   LEU  59          HB2       LEU  59  12.325  15.570   3.145
  490   2HB   LEU  59          HB1       LEU  59  12.609  16.694   4.462
  491    HG   LEU  59           HG       LEU  59  12.377  14.457   5.376
  492   1HD1  LEU  59          HD11      LEU  59  11.264  16.498   6.510
  493   2HD1  LEU  59          HD12      LEU  59  10.831  14.886   7.082
  494   3HD1  LEU  59          HD13      LEU  59   9.738  15.767   6.017
  495   1HD2  LEU  59          HD21      LEU  59   9.516  14.075   4.632
  496   2HD2  LEU  59          HD22      LEU  59  10.828  12.901   4.745
  497   3HD2  LEU  59          HD23      LEU  59  10.664  13.893   3.302
  498    H    ASP  60           HN       ASP  60  11.617  19.186   3.176
  499    HA   ASP  60           HA       ASP  60  11.341  20.287   5.748
  500   1HB   ASP  60          HB2       ASP  60  11.430  21.752   3.100
  501   2HB   ASP  60          HB1       ASP  60  11.791  22.434   4.685
  502    H    GLU  61           HN       GLU  61   9.142  20.092   3.018
  503    HA   GLU  61           HA       GLU  61   7.256  22.037   3.780
  504   1HB   GLU  61          HB2       GLU  61   5.929  21.186   2.070
  505   2HB   GLU  61          HB1       GLU  61   7.494  20.534   1.599
  506   1HG   GLU  61          HG2       GLU  61   6.840  18.402   2.889
  507   2HG   GLU  61          HG1       GLU  61   5.234  19.090   3.014
  508    H    ALA  62           HN       ALA  62   7.586  18.639   4.684
  509    HA   ALA  62           HA       ALA  62   5.147  18.516   6.178
  510   1HB   ALA  62          HB1       ALA  62   7.594  16.759   6.395
  511   2HB   ALA  62          HB2       ALA  62   6.321  16.538   5.199
  512   3HB   ALA  62          HB3       ALA  62   5.960  16.363   6.919
  513    H    TYR  63           HN       TYR  63   8.586  18.799   7.058
  514    HA   TYR  63           HA       TYR  63   8.373  18.816   9.784
  515   1HB   TYR  63          HB2       TYR  63  10.620  18.947   9.283
  516   2HB   TYR  63          HB1       TYR  63  10.307  19.849   7.813
  517    HD1  TYR  63           HD1      TYR  63  10.010  22.298   7.863
  518    HD2  TYR  63           HD2      TYR  63  11.103  20.119  11.397
  519    HE1  TYR  63           HE1      TYR  63  10.633  24.423   8.978
  520    HE2  TYR  63           HE2      TYR  63  11.726  22.246  12.515
  521    HH   TYR  63           HH       TYR  63  11.819  24.451  12.349
  522    H    ASN  64           HN       ASN  64   7.922  21.511   7.538
  523    HA   ASN  64           HA       ASN  64   7.536  23.499   9.512
  524   1HB   ASN  64          HB2       ASN  64   8.112  23.992   7.159
  525   2HB   ASN  64          HB1       ASN  64   6.513  23.431   6.669
  526   1HD2  ASN  64          HD21      ASN  64   6.711  25.082   9.738
  527   2HD2  ASN  64          HD22      ASN  64   6.044  26.550   9.214
  528    H    LYS  65           HN       LYS  65   5.402  21.263   7.862
  529    HA   LYS  65           HA       LYS  65   2.969  22.438   8.768
  530   1HB   LYS  65          HB2       LYS  65   3.339  20.757   6.819
  531   2HB   LYS  65          HB1       LYS  65   3.297  19.515   8.063
  532   1HG   LYS  65          HG2       LYS  65   1.031  19.591   7.499
  533   2HG   LYS  65          HG1       LYS  65   1.048  20.776   8.796
  534   1HD   LYS  65          HD2       LYS  65   1.315  22.579   7.085
  535   2HD   LYS  65          HD1       LYS  65   1.207  21.357   5.822
  536   1HE   LYS  65          HE2       LYS  65  -1.044  20.734   6.584
  537   2HE   LYS  65          HE1       LYS  65  -0.936  21.910   7.896
  538   1HZ   LYS  65          HZ1       LYS  65  -1.890  22.396   5.395
  539   2HZ   LYS  65          HZ2       LYS  65  -0.320  23.042   5.343
  540   3HZ   LYS  65          HZ3       LYS  65  -1.420  23.572   6.525
  541    H    VAL  66           HN       VAL  66   5.050  19.837   9.976
  542    HA   VAL  66           HA       VAL  66   3.336  18.971  12.038
  543    HB   VAL  66           HB       VAL  66   6.356  18.769  11.772
  544   1HG1  VAL  66          HG11      VAL  66   4.471  17.571  13.815
  545   2HG1  VAL  66          HG12      VAL  66   5.906  18.550  14.116
  546   3HG1  VAL  66          HG13      VAL  66   6.075  16.912  13.490
  547   1HG2  VAL  66          HG21      VAL  66   5.166  17.543  10.056
  548   2HG2  VAL  66          HG22      VAL  66   4.054  16.864  11.244
  549   3HG2  VAL  66          HG23      VAL  66   5.749  16.388  11.252
  550    H    LYS  67           HN       LYS  67   5.957  21.311  12.018
  551    HA   LYS  67           HA       LYS  67   5.853  21.969  14.764
  552   1HB   LYS  67          HB2       LYS  67   6.784  23.561  12.390
  553   2HB   LYS  67          HB1       LYS  67   7.228  23.851  14.070
  554   1HG   LYS  67          HG2       LYS  67   7.671  21.069  12.961
  555   2HG   LYS  67          HG1       LYS  67   8.759  22.319  12.475
  556   1HD   LYS  67          HD2       LYS  67   9.394  22.746  14.804
  557   2HD   LYS  67          HD1       LYS  67   8.106  21.679  15.352
  558   1HE   LYS  67          HE2       LYS  67  10.328  20.651  13.592
  559   2HE   LYS  67          HE1       LYS  67  10.467  20.680  15.350
  560   1HZ   LYS  67          HZ1       LYS  67   7.953  19.664  14.639
  561   2HZ   LYS  67          HZ2       LYS  67   9.211  18.886  15.473
  562   3HZ   LYS  67          HZ3       LYS  67   9.136  18.808  13.777
  563    H    ARG  68           HN       ARG  68   4.411  23.420  11.885
  564    HA   ARG  68           HA       ARG  68   3.058  25.499  13.390
  565   1HB   ARG  68          HB2       ARG  68   2.964  24.608  10.506
  566   2HB   ARG  68          HB1       ARG  68   2.012  25.936  11.139
  567   1HG   ARG  68          HG2       ARG  68   4.182  26.990  11.947
  568   2HG   ARG  68          HG1       ARG  68   5.034  25.729  11.054
  569   1HD   ARG  68          HD2       ARG  68   3.056  27.683   9.848
  570   2HD   ARG  68          HD1       ARG  68   4.808  27.834   9.747
  571    HE   ARG  68           HE       ARG  68   4.293  25.332   8.741
  572   1HH1  ARG  68          HH21      ARG  68   3.188  28.548   8.106
  573   2HH1  ARG  68          HH22      ARG  68   2.910  28.268   6.420
  574   1HH2  ARG  68          HH11      ARG  68   3.928  24.955   6.531
  575   2HH2  ARG  68          HH12      ARG  68   3.329  26.233   5.528
  576    H    GLY  69           HN       GLY  69   2.474  22.233  12.595
  577   1HA   GLY  69          HA2       GLY  69  -0.456  22.434  12.720
  578   2HA   GLY  69          HA1       GLY  69   0.494  20.994  12.376
  579    H    GLU  70           HN       GLU  70   2.284  21.175  14.572
  580    HA   GLU  70           HA       GLU  70   0.693  19.944  16.608
  581   1HB   GLU  70          HB2       GLU  70   2.786  19.505  17.709
  582   2HB   GLU  70          HB1       GLU  70   3.037  19.283  15.981
  583   1HG   GLU  70          HG2       GLU  70   4.887  20.598  16.531
  584   2HG   GLU  70          HG1       GLU  70   3.729  21.809  16.019
  585    H    SER  71           HN       SER  71   2.212  23.079  16.160
  586    HA   SER  71           HA       SER  71   0.887  24.068  18.634
  587   1HB   SER  71          HB2       SER  71   3.677  24.559  17.611
  588   2HB   SER  71          HB1       SER  71   2.884  25.731  18.661
  589    HG   SER  71           HG       SER  71   2.511  23.935  20.111
  590    H    LYS  72           HN       LYS  72  -0.692  25.363  18.069
  591    HA   LYS  72           HA       LYS  72  -0.735  26.760  15.525
  592   1HB   LYS  72          HB2       LYS  72  -2.601  26.776  17.901
  593   2HB   LYS  72          HB1       LYS  72  -2.932  27.591  16.372
  594   1HG   LYS  72          HG2       LYS  72  -2.260  24.637  16.430
  595   2HG   LYS  72          HG1       LYS  72  -3.900  25.175  16.763
  596   1HD   LYS  72          HD2       LYS  72  -2.645  26.330  14.290
  597   2HD   LYS  72          HD1       LYS  72  -2.998  24.607  14.234
  598   1HE   LYS  72          HE2       LYS  72  -4.862  26.182  13.429
  599   2HE   LYS  72          HE1       LYS  72  -5.330  24.971  14.626
  600   1HZ   LYS  72          HZ1       LYS  72  -6.187  27.082  15.291
  601   2HZ   LYS  72          HZ2       LYS  72  -4.661  27.813  15.138
  602   3HZ   LYS  72          HZ3       LYS  72  -4.935  26.658  16.352
  603    H    LEU  73           HN       LEU  73   0.470  27.387  18.635
  604    HA   LEU  73           HA       LEU  73   0.072  30.221  18.721
  605   1HB   LEU  73          HB2       LEU  73   2.181  28.585  20.134
  606   2HB   LEU  73          HB1       LEU  73   1.576  30.173  20.602
  607    HG   LEU  73           HG       LEU  73  -0.049  27.612  20.517
  608   1HD1  LEU  73          HD11      LEU  73   1.623  27.724  22.344
  609   2HD1  LEU  73          HD12      LEU  73  -0.030  27.767  22.957
  610   3HD1  LEU  73          HD13      LEU  73   0.921  29.251  22.877
  611   1HD2  LEU  73          HD21      LEU  73  -0.776  30.486  21.146
  612   2HD2  LEU  73          HD22      LEU  73  -1.695  29.149  21.839
  613   3HD2  LEU  73          HD23      LEU  73  -1.613  29.346  20.093
  614    H    GLU  74           HN       GLU  74   3.205  28.566  18.613
  615    HA   GLU  74           HA       GLU  74   5.196  29.221  17.633
  616   1HB   GLU  74          HB2       GLU  74   3.233  29.643  15.363
  617   2HB   GLU  74          HB1       GLU  74   4.985  29.611  15.167
  618   1HG   GLU  74          HG2       GLU  74   3.393  27.346  16.392
  619   2HG   GLU  74          HG1       GLU  74   3.849  27.405  14.692
  620    H    HIS  75           HN       HIS  75   3.973  31.254  19.184
  621    HA   HIS  75           HA       HIS  75   5.346  33.560  18.149
  622   1HB   HIS  75          HB2       HIS  75   3.227  33.705  16.880
  623   2HB   HIS  75          HB1       HIS  75   2.327  33.683  18.397
  624    HD1  HIS  75           HD1      HIS  75   5.393  35.655  17.247
  625    HD2  HIS  75           HD2      HIS  75   1.650  36.298  18.966
  626    HE1  HIS  75           HE1      HIS  75   5.226  38.143  17.689
  627    HE2  HIS  75           HE2      HIS  75   2.950  38.551  18.737
  628    H    HIS  76           HN       HIS  76   6.046  34.769  19.790
  629    HA   HIS  76           HA       HIS  76   5.337  34.017  22.511
  630   1HB   HIS  76          HB2       HIS  76   7.214  36.175  21.517
  631   2HB   HIS  76          HB1       HIS  76   7.123  35.539  23.160
  632    HD1  HIS  76           HD1      HIS  76   7.855  32.999  23.487
  633    HD2  HIS  76           HD2      HIS  76   8.700  34.603  19.732
  634    HE1  HIS  76           HE1      HIS  76   9.498  31.417  22.385
  635    HE2  HIS  76           HE2      HIS  76  10.022  32.381  20.096
  636    H    HIS  77           HN       HIS  77   3.027  34.781  21.963
  637    HA   HIS  77           HA       HIS  77   2.456  37.551  21.773
  638   1HB   HIS  77          HB2       HIS  77   0.846  35.733  21.203
  639   2HB   HIS  77          HB1       HIS  77   0.705  35.361  22.921
  640    HD1  HIS  77           HD1      HIS  77  -0.598  37.029  24.409
  641    HD2  HIS  77           HD2      HIS  77  -0.368  38.202  20.415
  642    HE1  HIS  77           HE1      HIS  77  -2.223  38.952  24.132
  643    HE2  HIS  77           HE2      HIS  77  -2.095  39.678  21.702
  644    H    HIS  78           HN       HIS  78   2.560  35.315  24.535
  645    HA   HIS  78           HA       HIS  78   1.990  37.405  26.459
  646   1HB   HIS  78          HB2       HIS  78   2.962  34.564  26.860
  647   2HB   HIS  78          HB1       HIS  78   2.369  35.640  28.126
  648    HD1  HIS  78           HD1      HIS  78  -0.192  36.543  27.701
  649    HD2  HIS  78           HD2      HIS  78   0.954  33.111  25.630
  650    HE1  HIS  78           HE1      HIS  78  -2.330  35.424  26.929
  651    HE2  HIS  78           HE2      HIS  78  -1.648  33.331  25.665
  652    H    HIS  79           HN       HIS  79   3.458  37.988  28.186
  653    HA   HIS  79           HA       HIS  79   5.446  38.916  28.884
  654   1HB   HIS  79          HB2       HIS  79   6.517  36.342  27.701
  655   2HB   HIS  79          HB1       HIS  79   7.398  37.403  28.798
  656    HD1  HIS  79           HD1      HIS  79   6.231  37.761  31.223
  657    HD2  HIS  79           HD2      HIS  79   4.852  34.526  28.984
  658    HE1  HIS  79           HE1      HIS  79   4.993  36.250  32.835
  659    HE2  HIS  79           HE2      HIS  79   4.146  34.272  31.485
  660    H    HIS  80           HN       HIS  80   8.013  38.868  27.863
  661    HA   HIS  80           HA       HIS  80   7.966  39.582  25.038
  662   1HB   HIS  80          HB2       HIS  80   8.559  41.661  27.162
  663   2HB   HIS  80          HB1       HIS  80   8.781  41.877  25.425
  664    HD1  HIS  80           HD1      HIS  80   6.180  41.807  28.085
  665    HD2  HIS  80           HD2      HIS  80   6.311  41.996  23.922
  666    HE1  HIS  80           HE1      HIS  80   3.856  42.466  27.324
  667    HE2  HIS  80           HE2      HIS  80   3.920  42.587  24.788
  668   1H    MET   1          HT1       MET   1  43.404  31.761   5.684
  669   2H    MET   1          HT2       MET   1  41.971  31.340   4.874
  670   3H    MET   1          HT3       MET   1  42.669  30.263   5.988
  671    HA   MET   1           HA       MET   1  42.210  31.743   7.805
  672   1HB   MET   1          HB2       MET   1  40.806  33.794   7.286
  673   2HB   MET   1          HB1       MET   1  42.474  33.877   6.717
  674   1HG   MET   1          HG2       MET   1  41.774  33.230   4.464
  675   2HG   MET   1          HG1       MET   1  40.108  33.043   5.011
  676   1HE   MET   1          HE1       MET   1  39.150  34.629   3.227
  677   2HE   MET   1          HE2       MET   1  40.784  34.684   2.570
  678   3HE   MET   1          HE3       MET   1  39.880  36.181   2.791
  679    H    SER   2           HN       SER   2  40.867  29.898   5.511
  680    HA   SER   2           HA       SER   2  38.091  30.134   5.812
  681   1HB   SER   2          HB2       SER   2  37.975  27.846   4.988
  682   2HB   SER   2          HB1       SER   2  39.209  28.731   4.095
  683    HG   SER   2           HG       SER   2  40.639  27.398   4.852
  684    H    GLU   3           HN       GLU   3  36.875  29.931   7.561
  685    HA   GLU   3           HA       GLU   3  37.900  28.652   9.972
  686   1HB   GLU   3          HB2       GLU   3  35.314  30.098   9.361
  687   2HB   GLU   3          HB1       GLU   3  35.724  29.432  10.943
  688   1HG   GLU   3          HG2       GLU   3  37.718  30.855  11.053
  689   2HG   GLU   3          HG1       GLU   3  37.375  31.489   9.445
  690    H    LEU   4           HN       LEU   4  36.416  27.197  11.202
  691    HA   LEU   4           HA       LEU   4  35.400  25.136  11.362
  692   1HB   LEU   4          HB2       LEU   4  33.902  26.065   8.904
  693   2HB   LEU   4          HB1       LEU   4  33.379  24.847  10.064
  694    HG   LEU   4           HG       LEU   4  33.847  27.780  10.685
  695   1HD1  LEU   4          HD11      LEU   4  31.875  27.386   9.259
  696   2HD1  LEU   4          HD12      LEU   4  31.396  27.899  10.876
  697   3HD1  LEU   4          HD13      LEU   4  31.269  26.200  10.417
  698   1HD2  LEU   4          HD21      LEU   4  32.529  27.053  12.819
  699   2HD2  LEU   4          HD22      LEU   4  34.233  26.630  12.723
  700   3HD2  LEU   4          HD23      LEU   4  33.003  25.416  12.372
  701    H    PHE   5           HN       PHE   5  37.766  25.594   9.508
  702    HA   PHE   5           HA       PHE   5  37.571  23.915   7.261
  703   1HB   PHE   5          HB2       PHE   5  39.448  25.482   7.650
  704   2HB   PHE   5          HB1       PHE   5  39.999  24.474   8.986
  705    HD1  PHE   5           HD2      PHE   5  39.505  24.632   5.321
  706    HD2  PHE   5           HD1      PHE   5  41.133  22.360   8.581
  707    HE1  PHE   5           HE2      PHE   5  40.724  23.196   3.709
  708    HE2  PHE   5           HE1      PHE   5  42.353  20.922   6.971
  709    HZ   PHE   5           HZ       PHE   5  42.149  21.340   4.535
  710    H    SER   6           HN       SER   6  38.670  23.235  10.583
  711    HA   SER   6           HA       SER   6  39.028  20.419  10.040
  712   1HB   SER   6          HB2       SER   6  38.917  21.708  12.780
  713   2HB   SER   6          HB1       SER   6  39.791  20.264  12.286
  714    HG   SER   6           HG       SER   6  41.344  21.702  12.172
  715    H    VAL   7           HN       VAL   7  37.420  19.001   9.944
  716    HA   VAL   7           HA       VAL   7  34.758  19.570  10.548
  717    HB   VAL   7           HB       VAL   7  35.559  16.703  10.775
  718   1HG1  VAL   7          HG11      VAL   7  33.612  18.065   8.901
  719   2HG1  VAL   7          HG12      VAL   7  33.199  17.457  10.505
  720   3HG1  VAL   7          HG13      VAL   7  33.733  16.340   9.251
  721   1HG2  VAL   7          HG21      VAL   7  35.977  16.606   8.266
  722   2HG2  VAL   7          HG22      VAL   7  37.278  17.311   9.220
  723   3HG2  VAL   7          HG23      VAL   7  36.183  18.357   8.317
  724    HA   PRO   8           HA       PRO   8  35.739  17.061  14.738
  725   1HB   PRO   8          HB2       PRO   8  38.316  18.573  15.159
  726   2HB   PRO   8          HB1       PRO   8  37.861  16.952  15.730
  727   1HG   PRO   8          HG2       PRO   8  39.487  17.235  13.652
  728   2HG   PRO   8          HG1       PRO   8  38.238  15.972  13.651
  729   1HD   PRO   8          HD2       PRO   8  38.284  18.553  12.142
  730   2HD   PRO   8          HD1       PRO   8  37.562  17.020  11.668
  731    H    TYR   9           HN       TYR   9  36.294  20.365  13.785
  732    HA   TYR   9           HA       TYR   9  35.895  21.667  16.251
  733   1HB   TYR   9          HB2       TYR   9  36.750  22.843  14.286
  734   2HB   TYR   9          HB1       TYR   9  35.227  22.576  13.442
  735    HD1  TYR   9           HD2      TYR   9  36.883  24.433  16.170
  736    HD2  TYR   9           HD1      TYR   9  33.204  23.788  14.054
  737    HE1  TYR   9           HE2      TYR   9  35.931  26.473  17.208
  738    HE2  TYR   9           HE1      TYR   9  32.249  25.831  15.082
  739    HH   TYR   9           HH       TYR   9  34.224  27.948  17.131
  740    H    PHE  10           HN       PHE  10  33.608  20.517  13.793
  741    HA   PHE  10           HA       PHE  10  31.275  21.681  14.860
  742   1HB   PHE  10          HB2       PHE  10  31.734  19.200  13.184
  743   2HB   PHE  10          HB1       PHE  10  30.119  19.698  13.677
  744    HD1  PHE  10           HD2      PHE  10  29.553  22.223  13.300
  745    HD2  PHE  10           HD1      PHE  10  32.561  20.087  11.125
  746    HE1  PHE  10           HE2      PHE  10  29.419  23.904  11.482
  747    HE2  PHE  10           HE1      PHE  10  32.435  21.760   9.299
  748    HZ   PHE  10           HZ       PHE  10  30.854  23.665   9.476
  749    H    ILE  11           HN       ILE  11  32.854  18.574  15.529
  750    HA   ILE  11           HA       ILE  11  30.860  17.559  17.253
  751    HB   ILE  11           HB       ILE  11  33.842  17.030  17.130
  752   1HG1  ILE  11          HG12      ILE  11  31.516  15.343  16.183
  753   2HG1  ILE  11          HG11      ILE  11  32.350  16.470  15.119
  754   1HG2  ILE  11          HG21      ILE  11  33.178  14.884  18.353
  755   2HG2  ILE  11          HG22      ILE  11  31.627  15.652  18.682
  756   3HG2  ILE  11          HG23      ILE  11  33.115  16.350  19.333
  757   1HD1  ILE  11          HD11      ILE  11  33.507  14.040  16.504
  758   2HD1  ILE  11          HD12      ILE  11  34.506  15.259  15.714
  759   3HD1  ILE  11          HD13      ILE  11  33.354  14.321  14.772
  760    H    GLU  12           HN       GLU  12  33.805  19.432  17.885
  761    HA   GLU  12           HA       GLU  12  33.845  19.443  20.637
  762   1HB   GLU  12          HB2       GLU  12  35.499  20.555  19.099
  763   2HB   GLU  12          HB1       GLU  12  34.350  21.881  18.910
  764   1HG   GLU  12          HG2       GLU  12  34.390  22.278  21.332
  765   2HG   GLU  12          HG1       GLU  12  35.503  20.928  21.539
  766    H    ASN  13           HN       ASN  13  31.616  21.091  18.499
  767    HA   ASN  13           HA       ASN  13  30.504  22.833  20.501
  768   1HB   ASN  13          HB2       ASN  13  29.311  21.918  17.880
  769   2HB   ASN  13          HB1       ASN  13  28.792  23.297  18.845
  770   1HD2  ASN  13          HD21      ASN  13  31.708  23.897  19.540
  771   2HD2  ASN  13          HD22      ASN  13  32.327  24.640  18.144
  772    H    LEU  14           HN       LEU  14  29.690  19.663  19.165
  773    HA   LEU  14           HA       LEU  14  27.198  19.377  20.519
  774   1HB   LEU  14          HB2       LEU  14  29.005  17.130  19.586
  775   2HB   LEU  14          HB1       LEU  14  27.248  17.116  19.737
  776    HG   LEU  14           HG       LEU  14  28.806  18.853  17.801
  777   1HD1  LEU  14          HD11      LEU  14  28.181  17.373  16.061
  778   2HD1  LEU  14          HD12      LEU  14  27.092  16.477  17.110
  779   3HD1  LEU  14          HD13      LEU  14  28.832  16.350  17.338
  780   1HD2  LEU  14          HD21      LEU  14  26.476  19.099  16.788
  781   2HD2  LEU  14          HD22      LEU  14  26.759  19.959  18.292
  782   3HD2  LEU  14          HD23      LEU  14  25.854  18.445  18.298
  783    H    LYS  15           HN       LYS  15  30.489  18.214  21.170
  784    HA   LYS  15           HA       LYS  15  29.887  16.804  23.504
  785   1HB   LYS  15          HB2       LYS  15  31.978  16.490  22.241
  786   2HB   LYS  15          HB1       LYS  15  32.504  18.096  22.749
  787   1HG   LYS  15          HG2       LYS  15  32.536  17.436  25.069
  788   2HG   LYS  15          HG1       LYS  15  31.742  15.907  24.703
  789   1HD   LYS  15          HD2       LYS  15  34.128  15.526  25.037
  790   2HD   LYS  15          HD1       LYS  15  33.709  15.224  23.352
  791   1HE   LYS  15          HE2       LYS  15  34.696  17.269  22.632
  792   2HE   LYS  15          HE1       LYS  15  34.747  17.917  24.273
  793   1HZ   LYS  15          HZ1       LYS  15  36.785  17.103  24.425
  794   2HZ   LYS  15          HZ2       LYS  15  36.655  16.328  22.919
  795   3HZ   LYS  15          HZ3       LYS  15  36.144  15.535  24.331
  796    H    GLN  16           HN       GLN  16  30.317  20.155  22.855
  797    HA   GLN  16           HA       GLN  16  31.015  21.060  25.439
  798   1HB   GLN  16          HB2       GLN  16  31.223  22.451  23.414
  799   2HB   GLN  16          HB1       GLN  16  29.468  22.524  23.302
  800   1HG   GLN  16          HG2       GLN  16  29.299  23.679  25.410
  801   2HG   GLN  16          HG1       GLN  16  31.016  23.447  25.732
  802   1HE2  GLN  16          HE21      GLN  16  29.894  26.067  25.675
  803   2HE2  GLN  16          HE22      GLN  16  30.494  26.887  24.315
  804    H    HIS  17           HN       HIS  17  27.976  20.137  24.007
  805    HA   HIS  17           HA       HIS  17  26.390  21.313  26.149
  806   1HB   HIS  17          HB2       HIS  17  25.495  21.068  23.882
  807   2HB   HIS  17          HB1       HIS  17  25.651  19.312  24.019
  808    HD1  HIS  17           HD1      HIS  17  23.860  22.212  25.708
  809    HD2  HIS  17           HD2      HIS  17  23.543  18.075  25.312
  810    HE1  HIS  17           HE1      HIS  17  21.677  21.549  26.809
  811    HE2  HIS  17           HE2      HIS  17  21.446  19.038  26.534
  812    H    ILE  18           HN       ILE  18  26.811  17.932  25.035
  813    HA   ILE  18           HA       ILE  18  25.665  16.642  27.198
  814    HB   ILE  18           HB       ILE  18  26.700  14.663  26.424
  815   1HG1  ILE  18          HG12      ILE  18  29.004  16.419  25.516
  816   2HG1  ILE  18          HG11      ILE  18  29.048  15.189  26.762
  817   1HG2  ILE  18          HG21      ILE  18  25.403  16.015  24.658
  818   2HG2  ILE  18          HG22      ILE  18  26.460  14.746  24.052
  819   3HG2  ILE  18          HG23      ILE  18  26.972  16.432  23.976
  820   1HD1  ILE  18          HD11      ILE  18  28.458  13.485  24.983
  821   2HD1  ILE  18          HD12      ILE  18  30.064  14.200  24.836
  822   3HD1  ILE  18          HD13      ILE  18  28.757  14.741  23.783
  823    H    GLU  19           HN       GLU  19  28.935  17.913  26.859
  824    HA   GLU  19           HA       GLU  19  29.919  16.809  29.324
  825   1HB   GLU  19          HB2       GLU  19  31.389  17.445  27.422
  826   2HB   GLU  19          HB1       GLU  19  30.974  19.136  27.692
  827   1HG   GLU  19          HG2       GLU  19  31.957  19.069  29.922
  828   2HG   GLU  19          HG1       GLU  19  32.262  17.341  29.771
  829    H    MET  20           HN       MET  20  29.098  20.145  28.338
  830    HA   MET  20           HA       MET  20  28.810  20.885  31.186
  831   1HB   MET  20          HB2       MET  20  28.904  22.691  28.752
  832   2HB   MET  20          HB1       MET  20  28.979  23.183  30.439
  833   1HG   MET  20          HG2       MET  20  31.256  23.176  30.024
  834   2HG   MET  20          HG1       MET  20  31.097  21.462  30.391
  835   1HE   MET  20          HE1       MET  20  33.467  22.820  28.663
  836   2HE   MET  20          HE2       MET  20  33.679  21.469  27.551
  837   3HE   MET  20          HE3       MET  20  33.313  21.157  29.246
  838    H    ASN  21           HN       ASN  21  27.219  23.102  29.348
  839    HA   ASN  21           HA       ASN  21  24.707  21.906  28.821
  840   1HB   ASN  21          HB2       ASN  21  23.455  22.911  30.765
  841   2HB   ASN  21          HB1       ASN  21  24.514  21.582  31.214
  842   1HD2  ASN  21          HD21      ASN  21  23.760  23.472  33.165
  843   2HD2  ASN  21          HD22      ASN  21  25.112  24.407  33.587
  844    H    GLN  22           HN       GLN  22  25.473  23.365  27.049
  845    HA   GLN  22           HA       GLN  22  25.306  26.225  27.496
  846   1HB   GLN  22          HB2       GLN  22  26.813  25.235  25.789
  847   2HB   GLN  22          HB1       GLN  22  25.401  24.678  24.890
  848   1HG   GLN  22          HG2       GLN  22  24.642  26.963  24.565
  849   2HG   GLN  22          HG1       GLN  22  25.922  27.577  25.609
  850   1HE2  GLN  22          HE21      GLN  22  27.637  28.415  24.432
  851   2HE2  GLN  22          HE22      GLN  22  28.145  27.856  22.912
  852    H    SER  23           HN       SER  23  23.560  24.227  25.128
  853    HA   SER  23           HA       SER  23  20.963  24.876  26.082
  854   1HB   SER  23          HB2       SER  23  20.323  26.388  24.164
  855   2HB   SER  23          HB1       SER  23  21.405  27.122  25.341
  856    HG   SER  23           HG       SER  23  22.284  27.534  23.368
  857    H    GLU  24           HN       GLU  24  20.849  22.596  25.680
  858    HA   GLU  24           HA       GLU  24  19.747  21.943  23.134
  859   1HB   GLU  24          HB2       GLU  24  22.424  21.979  22.928
  860   2HB   GLU  24          HB1       GLU  24  22.266  20.381  23.589
  861   1HG   GLU  24          HG2       GLU  24  22.260  20.127  21.223
  862   2HG   GLU  24          HG1       GLU  24  20.592  19.859  21.758
  863    H    ASP  25           HN       ASP  25  21.003  19.097  23.675
  864    HA   ASP  25           HA       ASP  25  19.287  18.336  25.992
  865   1HB   ASP  25          HB2       ASP  25  19.305  17.059  23.235
  866   2HB   ASP  25          HB1       ASP  25  18.526  16.354  24.655
  867    H    LYS  26           HN       LYS  26  20.667  15.995  23.843
  868    HA   LYS  26           HA       LYS  26  23.159  15.720  25.233
  869   1HB   LYS  26          HB2       LYS  26  21.582  14.825  26.914
  870   2HB   LYS  26          HB1       LYS  26  21.064  13.605  25.752
  871   1HG   LYS  26          HG2       LYS  26  23.387  12.757  25.623
  872   2HG   LYS  26          HG1       LYS  26  23.893  13.990  26.786
  873   1HD   LYS  26          HD2       LYS  26  22.308  13.047  28.448
  874   2HD   LYS  26          HD1       LYS  26  21.850  11.799  27.287
  875   1HE   LYS  26          HE2       LYS  26  24.157  10.973  27.229
  876   2HE   LYS  26          HE1       LYS  26  24.650  12.241  28.352
  877   1HZ   LYS  26          HZ1       LYS  26  24.275  10.522  29.780
  878   2HZ   LYS  26          HZ2       LYS  26  23.028   9.848  28.844
  879   3HZ   LYS  26          HZ3       LYS  26  22.737  11.236  29.781
  880    H    ILE  27           HN       ILE  27  21.557  12.813  24.271
  881    HA   ILE  27           HA       ILE  27  23.475  12.284  22.242
  882    HB   ILE  27           HB       ILE  27  20.892  10.985  23.089
  883   1HG1  ILE  27          HG12      ILE  27  23.224  10.735  24.271
  884   2HG1  ILE  27          HG11      ILE  27  22.264   9.291  23.980
  885   1HG2  ILE  27          HG21      ILE  27  20.760  10.554  20.763
  886   2HG2  ILE  27          HG22      ILE  27  21.556   9.119  21.407
  887   3HG2  ILE  27          HG23      ILE  27  22.508  10.375  20.615
  888   1HD1  ILE  27          HD11      ILE  27  23.647   8.567  22.220
  889   2HD1  ILE  27          HD12      ILE  27  24.790   9.236  23.380
  890   3HD1  ILE  27          HD13      ILE  27  24.335  10.166  21.956
  891    H    HIS  28           HN       HIS  28  20.146  13.491  22.143
  892    HA   HIS  28           HA       HIS  28  19.959  13.446  19.284
  893   1HB   HIS  28          HB2       HIS  28  18.387  15.130  21.245
  894   2HB   HIS  28          HB1       HIS  28  17.925  14.710  19.594
  895    HD1  HIS  28           HD1      HIS  28  17.446  12.118  19.131
  896    HD2  HIS  28           HD2      HIS  28  17.792  13.171  23.150
  897    HE1  HIS  28           HE1      HIS  28  16.477  10.193  20.462
  898    HE2  HIS  28           HE2      HIS  28  16.680  10.820  22.915
  899    H    ALA  29           HN       ALA  29  21.585  15.461  21.488
  900    HA   ALA  29           HA       ALA  29  21.456  18.018  20.539
  901   1HB   ALA  29          HB1       ALA  29  23.779  18.300  21.250
  902   2HB   ALA  29          HB2       ALA  29  24.026  16.556  21.199
  903   3HB   ALA  29          HB3       ALA  29  22.936  17.258  22.395
  904    H    MET  30           HN       MET  30  23.253  15.325  19.087
  905    HA   MET  30           HA       MET  30  24.465  16.832  17.007
  906   1HB   MET  30          HB2       MET  30  24.316  14.344  15.911
  907   2HB   MET  30          HB1       MET  30  25.505  14.757  17.142
  908   1HG   MET  30          HG2       MET  30  24.229  13.785  18.870
  909   2HG   MET  30          HG1       MET  30  22.766  13.752  17.891
  910   1HE   MET  30          HE1       MET  30  21.929  11.841  16.768
  911   2HE   MET  30          HE2       MET  30  22.255  11.219  18.380
  912   3HE   MET  30          HE3       MET  30  22.647  10.243  16.970
  913    H    ASN  31           HN       ASN  31  21.485  14.845  17.114
  914    HA   ASN  31           HA       ASN  31  20.746  15.183  14.438
  915   1HB   ASN  31          HB2       ASN  31  19.656  13.609  16.024
  916   2HB   ASN  31          HB1       ASN  31  18.895  14.983  16.827
  917   1HD2  ASN  31          HD21      ASN  31  17.763  12.664  15.126
  918   2HD2  ASN  31          HD22      ASN  31  16.789  13.450  13.979
  919    H    SER  32           HN       SER  32  19.843  17.141  17.277
  920    HA   SER  32           HA       SER  32  18.268  19.024  15.876
  921   1HB   SER  32          HB2       SER  32  18.213  18.782  18.320
  922   2HB   SER  32          HB1       SER  32  19.866  19.385  18.422
  923    HG   SER  32           HG       SER  32  19.190  21.358  17.927
  924    H    TYR  33           HN       TYR  33  21.703  19.037  16.765
  925    HA   TYR  33           HA       TYR  33  22.251  21.604  15.598
  926   1HB   TYR  33          HB2       TYR  33  23.599  20.704  17.438
  927   2HB   TYR  33          HB1       TYR  33  24.105  19.350  16.423
  928    HD1  TYR  33           HD1      TYR  33  25.624  19.684  14.533
  929    HD2  TYR  33           HD2      TYR  33  24.440  22.966  17.035
  930    HE1  TYR  33           HE1      TYR  33  27.432  21.077  13.557
  931    HE2  TYR  33           HE2      TYR  33  26.248  24.363  16.063
  932    HH   TYR  33           HH       TYR  33  27.658  24.522  14.278
  933    H    TYR  34           HN       TYR  34  22.864  18.238  14.631
  934    HA   TYR  34           HA       TYR  34  24.271  18.598  12.301
  935   1HB   TYR  34          HB2       TYR  34  23.790  16.383  13.267
  936   2HB   TYR  34          HB1       TYR  34  22.092  16.552  12.819
  937    HD1  TYR  34           HD2      TYR  34  21.425  16.550  10.420
  938    HD2  TYR  34           HD1      TYR  34  25.491  15.873  11.642
  939    HE1  TYR  34           HE2      TYR  34  21.966  15.703   8.153
  940    HE2  TYR  34           HE1      TYR  34  26.028  15.033   9.370
  941    HH   TYR  34           HH       TYR  34  25.249  15.049   7.168
  942    H    ARG  35           HN       ARG  35  20.779  18.830  12.813
  943    HA   ARG  35           HA       ARG  35  20.153  19.274  10.052
  944   1HB   ARG  35          HB2       ARG  35  18.514  18.405  11.713
  945   2HB   ARG  35          HB1       ARG  35  18.528  19.980  12.505
  946   1HG   ARG  35          HG2       ARG  35  17.726  21.052  10.442
  947   2HG   ARG  35          HG1       ARG  35  17.767  19.499   9.607
  948   1HD   ARG  35          HD2       ARG  35  16.096  20.080  12.065
  949   2HD   ARG  35          HD1       ARG  35  15.487  20.122  10.413
  950    HE   ARG  35           HE       ARG  35  16.714  17.628  10.812
  951   1HH1  ARG  35          HH21      ARG  35  14.035  19.503  11.943
  952   2HH1  ARG  35          HH22      ARG  35  13.048  18.128  12.310
  953   1HH2  ARG  35          HH11      ARG  35  15.426  15.819  11.293
  954   2HH2  ARG  35          HH12      ARG  35  13.836  16.042  11.942
  955    H    SER  36           HN       SER  36  21.064  21.299  12.766
  956    HA   SER  36           HA       SER  36  20.186  23.781  11.773
  957   1HB   SER  36          HB2       SER  36  21.033  23.332  14.114
  958   2HB   SER  36          HB1       SER  36  22.665  23.338  13.454
  959    HG   SER  36           HG       SER  36  21.177  25.404  14.147
  960    H    VAL  37           HN       VAL  37  23.241  22.024  11.339
  961    HA   VAL  37           HA       VAL  37  24.444  24.080   9.729
  962    HB   VAL  37           HB       VAL  37  25.157  21.151  10.032
  963   1HG1  VAL  37          HG11      VAL  37  26.630  23.485   8.773
  964   2HG1  VAL  37          HG12      VAL  37  26.157  21.976   7.987
  965   3HG1  VAL  37          HG13      VAL  37  27.421  21.973   9.217
  966   1HG2  VAL  37          HG21      VAL  37  26.954  22.137  11.509
  967   2HG2  VAL  37          HG22      VAL  37  25.319  22.304  12.147
  968   3HG2  VAL  37          HG23      VAL  37  26.119  23.686  11.395
  969    H    VAL  38           HN       VAL  38  22.801  21.013   9.053
  970    HA   VAL  38           HA       VAL  38  23.202  20.897   6.293
  971    HB   VAL  38           HB       VAL  38  20.738  20.077   7.846
  972   1HG1  VAL  38          HG11      VAL  38  20.473  18.427   5.927
  973   2HG1  VAL  38          HG12      VAL  38  21.677  19.370   5.051
  974   3HG1  VAL  38          HG13      VAL  38  20.150  20.112   5.527
  975   1HG2  VAL  38          HG21      VAL  38  22.665  17.974   6.985
  976   2HG2  VAL  38          HG22      VAL  38  21.852  18.192   8.525
  977   3HG2  VAL  38          HG23      VAL  38  23.321  19.094   8.178
  978    H    SER  39           HN       SER  39  20.587  22.531   8.087
  979    HA   SER  39           HA       SER  39  19.145  23.472   5.874
  980   1HB   SER  39          HB2       SER  39  18.293  23.566   8.177
  981   2HB   SER  39          HB1       SER  39  19.508  24.778   8.580
  982    HG   SER  39           HG       SER  39  18.139  26.172   7.830
  983    H    THR  40           HN       THR  40  21.886  24.877   7.625
  984    HA   THR  40           HA       THR  40  21.934  27.301   6.100
  985    HB   THR  40           HB       THR  40  24.173  26.039   7.685
  986    HG1  THR  40           HG1      THR  40  23.168  26.688   9.398
  987   1HG2  THR  40          HG21      THR  40  24.959  27.839   6.267
  988   2HG2  THR  40          HG22      THR  40  24.867  28.442   7.921
  989   3HG2  THR  40          HG23      THR  40  23.614  28.870   6.758
  990    H    LEU  41           HN       LEU  41  23.802  24.284   6.011
  991    HA   LEU  41           HA       LEU  41  25.612  24.953   4.014
  992   1HB   LEU  41          HB2       LEU  41  24.714  22.510   5.309
  993   2HB   LEU  41          HB1       LEU  41  24.944  22.199   3.595
  994    HG   LEU  41           HG       LEU  41  27.016  21.783   4.831
  995   1HD1  LEU  41          HD11      LEU  41  28.236  22.539   3.071
  996   2HD1  LEU  41          HD12      LEU  41  27.928  24.225   3.450
  997   3HD1  LEU  41          HD13      LEU  41  26.770  23.310   2.490
  998   1HD2  LEU  41          HD21      LEU  41  27.501  24.651   5.510
  999   2HD2  LEU  41          HD22      LEU  41  27.880  23.194   6.424
 1000   3HD2  LEU  41          HD23      LEU  41  26.256  23.860   6.475
 1001    H    VAL  42           HN       VAL  42  22.239  24.102   3.760
 1002    HA   VAL  42           HA       VAL  42  22.379  23.914   0.829
 1003    HB   VAL  42           HB       VAL  42  20.061  23.649   2.761
 1004   1HG1  VAL  42          HG11      VAL  42  19.165  24.388   0.655
 1005   2HG1  VAL  42          HG12      VAL  42  18.952  22.641   0.697
 1006   3HG1  VAL  42          HG13      VAL  42  20.257  23.342  -0.253
 1007   1HG2  VAL  42          HG21      VAL  42  21.563  21.575   1.122
 1008   2HG2  VAL  42          HG22      VAL  42  20.281  21.262   2.298
 1009   3HG2  VAL  42          HG23      VAL  42  21.845  21.876   2.838
 1010    H    GLN  43           HN       GLN  43  21.464  26.157   3.347
 1011    HA   GLN  43           HA       GLN  43  19.966  27.927   1.645
 1012   1HB   GLN  43          HB2       GLN  43  19.794  27.751   4.194
 1013   2HB   GLN  43          HB1       GLN  43  21.305  28.651   4.264
 1014   1HG   GLN  43          HG2       GLN  43  19.503  30.239   4.475
 1015   2HG   GLN  43          HG1       GLN  43  20.205  30.450   2.875
 1016   1HE2  GLN  43          HE21      GLN  43  18.090  31.334   2.120
 1017   2HE2  GLN  43          HE22      GLN  43  16.800  30.278   1.799
 1018    H    ASP  44           HN       ASP  44  23.321  27.418   2.305
 1019    HA   ASP  44           HA       ASP  44  24.200  30.048   1.463
 1020   1HB   ASP  44          HB2       ASP  44  26.449  29.129   1.642
 1021   2HB   ASP  44          HB1       ASP  44  25.515  28.693   3.072
 1022    H    GLN  45           HN       GLN  45  26.164  29.792  -0.246
 1023    HA   GLN  45           HA       GLN  45  25.125  29.726  -2.768
 1024   1HB   GLN  45          HB2       GLN  45  27.390  29.415  -3.593
 1025   2HB   GLN  45          HB1       GLN  45  27.420  30.470  -2.181
 1026   1HG   GLN  45          HG2       GLN  45  27.944  28.434  -0.773
 1027   2HG   GLN  45          HG1       GLN  45  28.123  27.511  -2.267
 1028   1HE2  GLN  45          HE21      GLN  45  30.437  27.233  -1.519
 1029   2HE2  GLN  45          HE22      GLN  45  31.546  28.473  -1.852
 1030    H    LEU  46           HN       LEU  46  24.740  28.240  -4.349
 1031    HA   LEU  46           HA       LEU  46  25.016  25.364  -3.639
 1032   1HB   LEU  46          HB2       LEU  46  22.756  26.913  -4.889
 1033   2HB   LEU  46          HB1       LEU  46  22.891  25.171  -5.126
 1034    HG   LEU  46           HG       LEU  46  23.023  26.288  -2.315
 1035   1HD1  LEU  46          HD11      LEU  46  20.538  26.028  -2.156
 1036   2HD1  LEU  46          HD12      LEU  46  20.481  25.826  -3.907
 1037   3HD1  LEU  46          HD13      LEU  46  21.029  27.351  -3.212
 1038   1HD2  LEU  46          HD21      LEU  46  22.123  24.130  -1.701
 1039   2HD2  LEU  46          HD22      LEU  46  23.424  23.829  -2.849
 1040   3HD2  LEU  46          HD23      LEU  46  21.748  23.739  -3.378
 1041    H    THR  47           HN       THR  47  27.140  26.146  -4.825
 1042    HA   THR  47           HA       THR  47  27.097  26.475  -7.622
 1043    HB   THR  47           HB       THR  47  29.117  27.063  -6.511
 1044    HG1  THR  47           HG1      THR  47  29.285  25.789  -8.503
 1045   1HG2  THR  47          HG21      THR  47  28.895  25.809  -4.465
 1046   2HG2  THR  47          HG22      THR  47  30.411  25.318  -5.215
 1047   3HG2  THR  47          HG23      THR  47  28.995  24.279  -5.333
 1048    H    LYS  48           HN       LYS  48  26.972  23.666  -5.551
 1049    HA   LYS  48           HA       LYS  48  26.036  21.997  -7.668
 1050   1HB   LYS  48          HB2       LYS  48  28.538  22.092  -8.088
 1051   2HB   LYS  48          HB1       LYS  48  28.746  21.290  -6.539
 1052   1HG   LYS  48          HG2       LYS  48  28.719  19.449  -7.973
 1053   2HG   LYS  48          HG1       LYS  48  27.020  19.535  -7.531
 1054   1HD   LYS  48          HD2       LYS  48  26.601  20.876  -9.614
 1055   2HD   LYS  48          HD1       LYS  48  28.291  20.650 -10.051
 1056   1HE   LYS  48          HE2       LYS  48  27.974  18.212 -10.069
 1057   2HE   LYS  48          HE1       LYS  48  26.286  18.423  -9.593
 1058   1HZ   LYS  48          HZ1       LYS  48  27.159  19.944 -11.905
 1059   2HZ   LYS  48          HZ2       LYS  48  25.699  19.119 -11.634
 1060   3HZ   LYS  48          HZ3       LYS  48  27.084  18.264 -12.125
 1061    H    ASN  49           HN       ASN  49  24.692  20.580  -6.764
 1062    HA   ASN  49           HA       ASN  49  24.113  20.345  -4.088
 1063   1HB   ASN  49          HB2       ASN  49  23.157  18.082  -4.673
 1064   2HB   ASN  49          HB1       ASN  49  22.615  19.408  -5.700
 1065   1HD2  ASN  49          HD21      ASN  49  22.186  17.728  -7.392
 1066   2HD2  ASN  49          HD22      ASN  49  23.477  17.135  -8.320
 1067    H    ALA  50           HN       ALA  50  26.706  18.804  -5.869
 1068    HA   ALA  50           HA       ALA  50  27.332  16.843  -3.888
 1069   1HB   ALA  50          HB1       ALA  50  29.086  17.985  -6.061
 1070   2HB   ALA  50          HB2       ALA  50  28.018  16.593  -6.240
 1071   3HB   ALA  50          HB3       ALA  50  29.393  16.514  -5.139
 1072    H    VAL  51           HN       VAL  51  28.819  19.943  -4.833
 1073    HA   VAL  51           HA       VAL  51  30.893  20.091  -3.010
 1074    HB   VAL  51           HB       VAL  51  29.128  22.235  -4.172
 1075   1HG1  VAL  51          HG11      VAL  51  30.987  23.856  -3.378
 1076   2HG1  VAL  51          HG12      VAL  51  31.429  22.588  -2.232
 1077   3HG1  VAL  51          HG13      VAL  51  29.824  23.314  -2.168
 1078   1HG2  VAL  51          HG21      VAL  51  30.849  20.893  -5.553
 1079   2HG2  VAL  51          HG22      VAL  51  32.085  21.755  -4.642
 1080   3HG2  VAL  51          HG23      VAL  51  30.949  22.651  -5.652
 1081    H    VAL  52           HN       VAL  52  27.513  21.059  -2.488
 1082    HA   VAL  52           HA       VAL  52  27.955  21.863   0.239
 1083    HB   VAL  52           HB       VAL  52  25.438  21.897   0.352
 1084   1HG1  VAL  52          HG11      VAL  52  25.199  23.728  -1.246
 1085   2HG1  VAL  52          HG12      VAL  52  26.606  23.168  -2.151
 1086   3HG1  VAL  52          HG13      VAL  52  26.804  23.817  -0.524
 1087   1HG2  VAL  52          HG21      VAL  52  24.979  20.018  -1.166
 1088   2HG2  VAL  52          HG22      VAL  52  25.725  20.894  -2.497
 1089   3HG2  VAL  52          HG23      VAL  52  24.228  21.485  -1.791
 1090    H    LEU  53           HN       LEU  53  26.910  18.915  -1.369
 1091    HA   LEU  53           HA       LEU  53  26.048  17.524   0.960
 1092   1HB   LEU  53          HB2       LEU  53  26.746  16.798  -1.822
 1093   2HB   LEU  53          HB1       LEU  53  26.657  15.480  -0.677
 1094    HG   LEU  53           HG       LEU  53  24.428  17.502  -1.092
 1095   1HD1  LEU  53          HD11      LEU  53  23.316  15.796  -2.480
 1096   2HD1  LEU  53          HD12      LEU  53  24.698  14.716  -2.292
 1097   3HD1  LEU  53          HD13      LEU  53  24.874  16.224  -3.183
 1098   1HD2  LEU  53          HD21      LEU  53  24.023  16.454   0.995
 1099   2HD2  LEU  53          HD22      LEU  53  24.690  14.913   0.468
 1100   3HD2  LEU  53          HD23      LEU  53  23.113  15.436  -0.111
 1101    H    LYS  54           HN       LYS  54  29.186  18.078  -0.457
 1102    HA   LYS  54           HA       LYS  54  30.657  15.977   0.646
 1103   1HB   LYS  54          HB2       LYS  54  31.380  18.853   0.070
 1104   2HB   LYS  54          HB1       LYS  54  32.566  17.737   0.739
 1105   1HG   LYS  54          HG2       LYS  54  32.259  16.227  -1.160
 1106   2HG   LYS  54          HG1       LYS  54  31.019  17.284  -1.824
 1107   1HD   LYS  54          HD2       LYS  54  32.673  19.117  -1.958
 1108   2HD   LYS  54          HD1       LYS  54  33.913  18.020  -1.361
 1109   1HE   LYS  54          HE2       LYS  54  34.013  18.120  -3.810
 1110   2HE   LYS  54          HE1       LYS  54  33.501  16.517  -3.289
 1111   1HZ   LYS  54          HZ1       LYS  54  31.461  18.553  -3.840
 1112   2HZ   LYS  54          HZ2       LYS  54  31.364  16.864  -3.978
 1113   3HZ   LYS  54          HZ3       LYS  54  32.204  17.768  -5.144
 1114    H    ARG  55           HN       ARG  55  29.740  19.082   2.119
 1115    HA   ARG  55           HA       ARG  55  31.070  18.588   4.592
 1116   1HB   ARG  55          HB2       ARG  55  28.768  20.427   3.913
 1117   2HB   ARG  55          HB1       ARG  55  29.628  20.432   5.450
 1118   1HG   ARG  55          HG2       ARG  55  31.769  20.672   3.788
 1119   2HG   ARG  55          HG1       ARG  55  30.545  21.404   2.756
 1120   1HD   ARG  55          HD2       ARG  55  29.949  22.942   4.640
 1121   2HD   ARG  55          HD1       ARG  55  31.262  22.242   5.580
 1122    HE   ARG  55           HE       ARG  55  32.074  23.270   2.981
 1123   1HH1  ARG  55          HH21      ARG  55  31.516  23.925   6.333
 1124   2HH1  ARG  55          HH22      ARG  55  32.589  25.283   6.390
 1125   1HH2  ARG  55          HH11      ARG  55  33.482  25.055   3.047
 1126   2HH2  ARG  55          HH12      ARG  55  33.702  25.922   4.530
 1127    H    ILE  56           HN       ILE  56  27.778  18.005   3.414
 1128    HA   ILE  56           HA       ILE  56  26.650  17.258   5.894
 1129    HB   ILE  56           HB       ILE  56  25.896  16.209   3.161
 1130   1HG1  ILE  56          HG12      ILE  56  26.011  18.607   3.038
 1131   2HG1  ILE  56          HG11      ILE  56  24.326  18.149   3.105
 1132   1HG2  ILE  56          HG21      ILE  56  23.637  16.106   4.160
 1133   2HG2  ILE  56          HG22      ILE  56  24.316  16.593   5.712
 1134   3HG2  ILE  56          HG23      ILE  56  24.783  15.053   4.987
 1135   1HD1  ILE  56          HD11      ILE  56  26.029  19.459   5.219
 1136   2HD1  ILE  56          HD12      ILE  56  24.563  18.585   5.664
 1137   3HD1  ILE  56          HD13      ILE  56  24.472  19.962   4.571
 1138    H    GLN  57           HN       GLN  57  27.958  15.228   3.257
 1139    HA   GLN  57           HA       GLN  57  27.681  12.750   4.516
 1140   1HB   GLN  57          HB2       GLN  57  29.780  13.689   2.544
 1141   2HB   GLN  57          HB1       GLN  57  29.488  12.003   2.976
 1142   1HG   GLN  57          HG2       GLN  57  27.145  12.223   2.209
 1143   2HG   GLN  57          HG1       GLN  57  27.467  13.893   1.745
 1144   1HE2  GLN  57          HE21      GLN  57  27.366  10.767   0.511
 1145   2HE2  GLN  57          HE22      GLN  57  28.366  10.992  -0.842
 1146    H    HIS  58           HN       HIS  58  30.243  15.178   4.724
 1147    HA   HIS  58           HA       HIS  58  31.995  13.546   6.321
 1148   1HB   HIS  58          HB2       HIS  58  31.934  16.525   5.751
 1149   2HB   HIS  58          HB1       HIS  58  33.189  15.738   6.710
 1150    HD1  HIS  58           HD1      HIS  58  33.441  13.135   5.008
 1151    HD2  HIS  58           HD2      HIS  58  33.439  16.990   3.418
 1152    HE1  HIS  58           HE1      HIS  58  34.600  12.984   2.761
 1153    HE2  HIS  58           HE2      HIS  58  34.606  15.326   1.779
 1154    H    LEU  59           HN       LEU  59  29.701  16.183   6.985
 1155    HA   LEU  59           HA       LEU  59  30.185  16.503   9.714
 1156   1HB   LEU  59          HB2       LEU  59  28.677  17.945   8.301
 1157   2HB   LEU  59          HB1       LEU  59  27.471  16.667   8.385
 1158    HG   LEU  59           HG       LEU  59  27.554  16.836  10.901
 1159   1HD1  LEU  59          HD11      LEU  59  29.543  17.818  11.566
 1160   2HD1  LEU  59          HD12      LEU  59  28.469  19.210  11.647
 1161   3HD1  LEU  59          HD13      LEU  59  29.533  19.000  10.257
 1162   1HD2  LEU  59          HD21      LEU  59  25.806  17.933   9.573
 1163   2HD2  LEU  59          HD22      LEU  59  26.816  19.370   9.415
 1164   3HD2  LEU  59          HD23      LEU  59  26.212  18.884  10.999
 1165    H    ASP  60           HN       ASP  60  28.443  13.998   8.005
 1166    HA   ASP  60           HA       ASP  60  26.882  12.889  10.017
 1167   1HB   ASP  60          HB2       ASP  60  28.453  11.480   7.841
 1168   2HB   ASP  60          HB1       ASP  60  27.228  10.703   8.839
 1169    H    GLU  61           HN       GLU  61  30.351  12.531   9.438
 1170    HA   GLU  61           HA       GLU  61  30.943  10.477  11.210
 1171   1HB   GLU  61          HB2       GLU  61  33.186  11.192  11.101
 1172   2HB   GLU  61          HB1       GLU  61  32.490  11.775   9.589
 1173   1HG   GLU  61          HG2       GLU  61  32.045  13.992  10.900
 1174   2HG   GLU  61          HG1       GLU  61  33.174  13.355  12.084
 1175    H    ALA  62           HN       ALA  62  30.135  13.822  11.855
 1176    HA   ALA  62           HA       ALA  62  31.039  13.855  14.550
 1177   1HB   ALA  62          HB1       ALA  62  28.910  15.571  13.266
 1178   2HB   ALA  62          HB2       ALA  62  30.636  15.928  13.248
 1179   3HB   ALA  62          HB3       ALA  62  29.752  15.915  14.775
 1180    H    TYR  63           HN       TYR  63  27.781  13.575  13.131
 1181    HA   TYR  63           HA       TYR  63  26.336  13.238  15.432
 1182   1HB   TYR  63          HB2       TYR  63  24.761  13.190  13.772
 1183   2HB   TYR  63          HB1       TYR  63  25.951  12.654  12.592
 1184    HD1  TYR  63           HD2      TYR  63  26.509  10.222  12.392
 1185    HD2  TYR  63           HD1      TYR  63  23.229  11.598  14.792
 1186    HE1  TYR  63           HE2      TYR  63  25.588   7.924  12.445
 1187    HE2  TYR  63           HE1      TYR  63  22.305   9.294  14.851
 1188    HH   TYR  63           HH       TYR  63  22.422   7.230  13.760
 1189    H    ASN  64           HN       ASN  64  28.241  10.860  13.654
 1190    HA   ASN  64           HA       ASN  64  27.427   8.593  15.213
 1191   1HB   ASN  64          HB2       ASN  64  28.267   8.372  12.916
 1192   2HB   ASN  64          HB1       ASN  64  29.846   8.959  13.437
 1193   1HD2  ASN  64          HD21      ASN  64  30.945   6.928  12.984
 1194   2HD2  ASN  64          HD22      ASN  64  30.649   5.529  13.899
 1195    H    LYS  65           HN       LYS  65  30.133  10.839  15.297
 1196    HA   LYS  65           HA       LYS  65  31.695   9.485  17.215
 1197   1HB   LYS  65          HB2       LYS  65  31.450  12.357  16.354
 1198   2HB   LYS  65          HB1       LYS  65  32.537  11.920  17.666
 1199   1HG   LYS  65          HG2       LYS  65  32.702  10.378  15.069
 1200   2HG   LYS  65          HG1       LYS  65  33.419  11.982  15.151
 1201   1HD   LYS  65          HD2       LYS  65  34.774  11.298  17.080
 1202   2HD   LYS  65          HD1       LYS  65  34.050   9.692  17.033
 1203   1HE   LYS  65          HE2       LYS  65  34.941   9.348  14.760
 1204   2HE   LYS  65          HE1       LYS  65  35.659  10.959  14.795
 1205   1HZ   LYS  65          HZ1       LYS  65  37.113   8.979  15.442
 1206   2HZ   LYS  65          HZ2       LYS  65  36.248   8.985  16.903
 1207   3HZ   LYS  65          HZ3       LYS  65  37.148  10.350  16.442
 1208    H    VAL  66           HN       VAL  66  29.040  11.819  17.552
 1209    HA   VAL  66           HA       VAL  66  29.286  12.239  20.318
 1210    HB   VAL  66           HB       VAL  66  26.825  12.313  18.532
 1211   1HG1  VAL  66          HG11      VAL  66  25.953  13.815  20.453
 1212   2HG1  VAL  66          HG12      VAL  66  27.210  13.075  21.439
 1213   3HG1  VAL  66          HG13      VAL  66  25.946  12.073  20.727
 1214   1HG2  VAL  66          HG21      VAL  66  28.786  14.410  19.528
 1215   2HG2  VAL  66          HG22      VAL  66  27.233  14.810  18.800
 1216   3HG2  VAL  66          HG23      VAL  66  28.449  13.950  17.859
 1217    H    LYS  67           HN       LYS  67  27.284   9.902  18.527
 1218    HA   LYS  67           HA       LYS  67  26.324   8.605  20.908
 1219   1HB   LYS  67          HB2       LYS  67  26.398   7.684  18.034
 1220   2HB   LYS  67          HB1       LYS  67  25.487   6.908  19.326
 1221   1HG   LYS  67          HG2       LYS  67  24.723   9.625  19.526
 1222   2HG   LYS  67          HG1       LYS  67  24.840   9.347  17.794
 1223   1HD   LYS  67          HD2       LYS  67  23.274   7.559  19.684
 1224   2HD   LYS  67          HD1       LYS  67  22.557   8.905  18.815
 1225   1HE   LYS  67          HE2       LYS  67  23.329   7.868  16.669
 1226   2HE   LYS  67          HE1       LYS  67  23.863   6.467  17.595
 1227   1HZ   LYS  67          HZ1       LYS  67  21.089   7.486  17.771
 1228   2HZ   LYS  67          HZ2       LYS  67  21.684   5.960  18.225
 1229   3HZ   LYS  67          HZ3       LYS  67  21.554   6.370  16.582
 1230    H    ARG  68           HN       ARG  68  28.689   7.704  18.415
 1231    HA   ARG  68           HA       ARG  68  29.446   5.245  19.461
 1232   1HB   ARG  68          HB2       ARG  68  30.046   6.158  17.198
 1233   2HB   ARG  68          HB1       ARG  68  31.235   7.196  17.985
 1234   1HG   ARG  68          HG2       ARG  68  32.420   5.266  18.852
 1235   2HG   ARG  68          HG1       ARG  68  31.179   4.179  18.237
 1236   1HD   ARG  68          HD2       ARG  68  33.027   4.129  16.686
 1237   2HD   ARG  68          HD1       ARG  68  31.696   4.993  15.923
 1238    HE   ARG  68           HE       ARG  68  32.979   6.932  15.963
 1239   1HH1  ARG  68          HH21      ARG  68  34.342   4.502  18.015
 1240   2HH1  ARG  68          HH22      ARG  68  35.805   5.380  18.310
 1241   1HH2  ARG  68          HH11      ARG  68  34.891   8.088  16.348
 1242   2HH2  ARG  68          HH12      ARG  68  36.117   7.409  17.367
 1243    H    GLY  69           HN       GLY  69  30.389   8.505  20.313
 1244   1HA   GLY  69          HA2       GLY  69  32.596   7.738  21.992
 1245   2HA   GLY  69          HA1       GLY  69  31.851   9.328  21.874
 1246    H    GLU  70           HN       GLU  70  29.211   7.687  22.303
 1247    HA   GLU  70           HA       GLU  70  29.298   7.867  25.260
 1248   1HB   GLU  70          HB2       GLU  70  27.027   7.995  23.265
 1249   2HB   GLU  70          HB1       GLU  70  26.791   7.958  25.013
 1250   1HG   GLU  70          HG2       GLU  70  28.619  10.011  23.745
 1251   2HG   GLU  70          HG1       GLU  70  26.885  10.291  23.832
 1252    H    SER  71           HN       SER  71  27.358   6.362  26.129
 1253    HA   SER  71           HA       SER  71  26.931   4.195  26.787
 1254   1HB   SER  71          HB2       SER  71  26.094   2.769  25.042
 1255   2HB   SER  71          HB1       SER  71  25.640   4.421  24.634
 1256    HG   SER  71           HG       SER  71  27.035   4.417  23.017
 1257    H    LYS  72           HN       LYS  72  27.653   1.786  25.320
 1258    HA   LYS  72           HA       LYS  72  29.335   0.210  25.412
 1259   1HB   LYS  72          HB2       LYS  72  30.868   2.613  24.387
 1260   2HB   LYS  72          HB1       LYS  72  31.505   0.969  24.402
 1261   1HG   LYS  72          HG2       LYS  72  29.651   0.216  22.972
 1262   2HG   LYS  72          HG1       LYS  72  28.972   1.844  22.980
 1263   1HD   LYS  72          HD2       LYS  72  31.045   2.700  21.918
 1264   2HD   LYS  72          HD1       LYS  72  31.683   1.056  21.868
 1265   1HE   LYS  72          HE2       LYS  72  29.137   1.997  20.512
 1266   2HE   LYS  72          HE1       LYS  72  30.671   1.674  19.701
 1267   1HZ   LYS  72          HZ1       LYS  72  29.415  -0.269  19.460
 1268   2HZ   LYS  72          HZ2       LYS  72  28.883  -0.245  21.073
 1269   3HZ   LYS  72          HZ3       LYS  72  30.500  -0.620  20.714
 1270    H    LEU  73           HN       LEU  73  31.571   2.832  26.093
 1271    HA   LEU  73           HA       LEU  73  32.511   1.510  28.493
 1272   1HB   LEU  73          HB2       LEU  73  33.308   4.240  27.454
 1273   2HB   LEU  73          HB1       LEU  73  34.240   3.169  28.501
 1274    HG   LEU  73           HG       LEU  73  33.485   2.637  25.610
 1275   1HD1  LEU  73          HD11      LEU  73  35.930   2.830  25.233
 1276   2HD1  LEU  73          HD12      LEU  73  36.144   3.258  26.932
 1277   3HD1  LEU  73          HD13      LEU  73  35.237   4.326  25.860
 1278   1HD2  LEU  73          HD21      LEU  73  35.158   0.691  25.961
 1279   2HD2  LEU  73          HD22      LEU  73  33.555   0.496  26.657
 1280   3HD2  LEU  73          HD23      LEU  73  34.912   0.949  27.689
 1281    H    GLU  74           HN       GLU  74  29.892   3.400  27.903
 1282    HA   GLU  74           HA       GLU  74  28.495   4.688  29.182
 1283   1HB   GLU  74          HB2       GLU  74  29.971   3.223  31.379
 1284   2HB   GLU  74          HB1       GLU  74  28.525   4.195  31.636
 1285   1HG   GLU  74          HG2       GLU  74  27.266   2.758  30.093
 1286   2HG   GLU  74          HG1       GLU  74  28.714   1.802  29.784
 1287    H    HIS  75           HN       HIS  75  31.559   5.382  28.762
 1288    HA   HIS  75           HA       HIS  75  32.919   7.177  29.171
 1289   1HB   HIS  75          HB2       HIS  75  30.890   8.426  28.467
 1290   2HB   HIS  75          HB1       HIS  75  30.367   8.487  30.148
 1291    HD1  HIS  75           HD1      HIS  75  33.400   9.502  28.070
 1292    HD2  HIS  75           HD2      HIS  75  31.364  10.664  31.518
 1293    HE1  HIS  75           HE1      HIS  75  34.512  11.629  28.877
 1294    HE2  HIS  75           HE2      HIS  75  33.284  12.351  30.977
 1295    H    HIS  76           HN       HIS  76  34.194   8.054  30.810
 1296    HA   HIS  76           HA       HIS  76  33.751   6.909  33.480
 1297   1HB   HIS  76          HB2       HIS  76  36.114   8.403  32.314
 1298   2HB   HIS  76          HB1       HIS  76  36.061   7.654  33.910
 1299    HD1  HIS  76           HD1      HIS  76  35.332   4.949  33.765
 1300    HD2  HIS  76           HD2      HIS  76  37.078   6.677  30.397
 1301    HE1  HIS  76           HE1      HIS  76  36.186   3.037  32.340
 1302    HE2  HIS  76           HE2      HIS  76  37.254   4.075  30.283
 1303    H    HIS  77           HN       HIS  77  33.407   8.082  35.300
 1304    HA   HIS  77           HA       HIS  77  33.486  11.018  35.213
 1305   1HB   HIS  77          HB2       HIS  77  31.185  11.202  36.074
 1306   2HB   HIS  77          HB1       HIS  77  31.211  10.467  34.471
 1307    HD1  HIS  77           HD1      HIS  77  31.112   7.744  34.473
 1308    HD2  HIS  77           HD2      HIS  77  29.954   9.633  38.003
 1309    HE1  HIS  77           HE1      HIS  77  29.825   6.026  35.815
 1310    HE2  HIS  77           HE2      HIS  77  29.111   7.163  37.972
 1311    H    HIS  78           HN       HIS  78  34.276   8.243  36.714
 1312    HA   HIS  78           HA       HIS  78  33.644   8.730  39.433
 1313   1HB   HIS  78          HB2       HIS  78  34.375   6.527  38.574
 1314   2HB   HIS  78          HB1       HIS  78  35.980   7.192  38.268
 1315    HD1  HIS  78           HD1      HIS  78  33.567   6.888  41.216
 1316    HD2  HIS  78           HD2      HIS  78  37.663   6.918  40.439
 1317    HE1  HIS  78           HE1      HIS  78  34.721   6.469  43.432
 1318    HE2  HIS  78           HE2      HIS  78  37.218   6.484  42.974
 1319    H    HIS  79           HN       HIS  79  36.468   9.540  37.438
 1320    HA   HIS  79           HA       HIS  79  38.058  10.653  39.479
 1321   1HB   HIS  79          HB2       HIS  79  37.943  11.270  36.515
 1322   2HB   HIS  79          HB1       HIS  79  39.203  11.852  37.602
 1323    HD1  HIS  79           HD1      HIS  79  38.013   8.803  35.817
 1324    HD2  HIS  79           HD2      HIS  79  40.949   9.788  38.608
 1325    HE1  HIS  79           HE1      HIS  79  39.581   6.818  35.937
 1326    HE2  HIS  79           HE2      HIS  79  41.377   7.402  37.635
 1327    H    HIS  80           HN       HIS  80  35.610  12.094  37.356
 1328    HA   HIS  80           HA       HIS  80  34.948  14.115  39.254
 1329   1HB   HIS  80          HB2       HIS  80  35.701  16.073  37.951
 1330   2HB   HIS  80          HB1       HIS  80  37.063  15.093  38.495
 1331    HD1  HIS  80           HD1      HIS  80  37.981  13.315  36.632
 1332    HD2  HIS  80           HD2      HIS  80  35.632  16.450  35.204
 1333    HE1  HIS  80           HE1      HIS  80  38.395  13.442  34.138
 1334    HE2  HIS  80           HE2      HIS  80  36.970  15.348  33.251
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1  -2.499  -1.081  -2.752
    2   2H    MET   1          HT2       MET   1  -1.478  -2.357  -2.287
    3   3H    MET   1          HT3       MET   1  -2.602  -2.578  -3.542
    4    HA   MET   1           HA       MET   1  -0.347  -2.292  -4.399
    5   1HB   MET   1          HB2       MET   1  -2.336  -0.068  -4.954
    6   2HB   MET   1          HB1       MET   1  -0.919  -0.394  -5.953
    7   1HG   MET   1          HG2       MET   1  -1.738  -2.681  -6.382
    8   2HG   MET   1          HG1       MET   1  -3.152  -2.366  -5.376
    9   1HE   MET   1          HE1       MET   1  -3.655  -3.520  -7.874
   10   2HE   MET   1          HE2       MET   1  -4.693  -2.508  -8.875
   11   3HE   MET   1          HE3       MET   1  -5.079  -2.740  -7.171
   12    H    SER   2           HN       SER   2  -1.035  -0.563  -1.703
   13    HA   SER   2           HA       SER   2   0.050   1.045  -0.469
   14   1HB   SER   2          HB2       SER   2   2.423   0.884  -0.437
   15   2HB   SER   2          HB1       SER   2   1.868  -0.719  -0.912
   16    HG   SER   2           HG       SER   2   2.283  -0.165  -3.060
   17    H    GLU   3           HN       GLU   3  -0.865   2.971  -1.044
   18    HA   GLU   3           HA       GLU   3   0.109   4.373  -3.457
   19   1HB   GLU   3          HB2       GLU   3  -2.405   4.124  -2.812
   20   2HB   GLU   3          HB1       GLU   3  -2.083   5.377  -1.618
   21   1HG   GLU   3          HG2       GLU   3  -1.541   5.642  -4.600
   22   2HG   GLU   3          HG1       GLU   3  -2.951   6.296  -3.772
   23    H    LEU   4           HN       LEU   4   1.765   5.680  -3.255
   24    HA   LEU   4           HA       LEU   4   1.974   7.487  -0.952
   25   1HB   LEU   4          HB2       LEU   4   4.446   6.955  -0.798
   26   2HB   LEU   4          HB1       LEU   4   3.372   5.698  -0.190
   27    HG   LEU   4           HG       LEU   4   4.070   5.484  -3.106
   28   1HD1  LEU   4          HD11      LEU   4   6.247   4.383  -2.608
   29   2HD1  LEU   4          HD12      LEU   4   6.124   4.949  -0.941
   30   3HD1  LEU   4          HD13      LEU   4   6.259   6.111  -2.260
   31   1HD2  LEU   4          HD21      LEU   4   2.691   3.818  -1.798
   32   2HD2  LEU   4          HD22      LEU   4   4.148   3.419  -0.884
   33   3HD2  LEU   4          HD23      LEU   4   4.088   3.125  -2.622
   34    H    PHE   5           HN       PHE   5   1.836   7.122  -4.169
   35    HA   PHE   5           HA       PHE   5   3.961   8.671  -5.173
   36   1HB   PHE   5          HB2       PHE   5   1.140   8.373  -6.231
   37   2HB   PHE   5          HB1       PHE   5   2.509   9.018  -7.135
   38    HD1  PHE   5           HD2      PHE   5   4.446   7.565  -7.708
   39    HD2  PHE   5           HD1      PHE   5   0.911   5.993  -5.842
   40    HE1  PHE   5           HE2      PHE   5   5.144   5.266  -8.322
   41    HE2  PHE   5           HE1      PHE   5   1.609   3.694  -6.456
   42    HZ   PHE   5           HZ       PHE   5   3.726   3.330  -7.696
   43    H    SER   6           HN       SER   6   0.719   9.556  -4.045
   44    HA   SER   6           HA       SER   6   0.972  12.334  -4.647
   45   1HB   SER   6          HB2       SER   6  -0.896  11.217  -2.550
   46   2HB   SER   6          HB1       SER   6  -1.186  12.504  -3.718
   47    HG   SER   6           HG       SER   6  -1.705  11.079  -5.165
   48    H    VAL   7           HN       VAL   7   1.860  13.948  -3.458
   49    HA   VAL   7           HA       VAL   7   3.554  13.372  -1.283
   50    HB   VAL   7           HB       VAL   7   2.586  16.201  -1.505
   51   1HG1  VAL   7          HG11      VAL   7   4.952  16.717  -1.427
   52   2HG1  VAL   7          HG12      VAL   7   5.376  15.025  -1.666
   53   3HG1  VAL   7          HG13      VAL   7   4.594  15.535  -0.169
   54   1HG2  VAL   7          HG21      VAL   7   2.409  15.672  -3.841
   55   2HG2  VAL   7          HG22      VAL   7   3.908  14.742  -3.809
   56   3HG2  VAL   7          HG23      VAL   7   3.952  16.498  -3.639
   57    HA   PRO   8           HA       PRO   8  -0.114  15.407   1.340
   58   1HB   PRO   8          HB2       PRO   8  -2.250  13.862  -0.142
   59   2HB   PRO   8          HB1       PRO   8  -2.374  15.434   0.683
   60   1HG   PRO   8          HG2       PRO   8  -2.211  15.350  -1.954
   61   2HG   PRO   8          HG1       PRO   8  -1.285  16.565  -1.047
   62   1HD   PRO   8          HD2       PRO   8  -0.312  14.024  -2.307
   63   2HD   PRO   8          HD1       PRO   8   0.490  15.600  -2.238
   64    H    TYR   9           HN       TYR   9   0.161  12.178  -0.030
   65    HA   TYR   9           HA       TYR   9  -1.024  10.700   2.062
   66   1HB   TYR   9          HB2       TYR   9  -0.517   9.721  -0.140
   67   2HB   TYR   9          HB1       TYR   9   1.210   9.880   0.182
   68    HD1  TYR   9           HD1      TYR   9  -1.924   8.423   1.603
   69    HD2  TYR   9           HD2      TYR   9   2.349   8.094   1.295
   70    HE1  TYR   9           HE1      TYR   9  -2.004   6.249   2.794
   71    HE2  TYR   9           HE2      TYR   9   2.267   5.916   2.470
   72    HH   TYR   9           HH       TYR   9   0.001   4.039   2.721
   73    H    PHE  10           HN       PHE  10   2.309  11.801   1.542
   74    HA   PHE  10           HA       PHE  10   3.490  10.486   3.726
   75   1HB   PHE  10          HB2       PHE  10   4.192  12.726   1.910
   76   2HB   PHE  10          HB1       PHE  10   4.940  12.874   3.496
   77    HD1  PHE  10           HD2      PHE  10   4.100   9.832   1.461
   78    HD2  PHE  10           HD1      PHE  10   7.206  12.223   3.216
   79    HE1  PHE  10           HE2      PHE  10   5.781   8.123   0.821
   80    HE2  PHE  10           HE1      PHE  10   8.885  10.521   2.569
   81    HZ   PHE  10           HZ       PHE  10   8.175   8.467   1.385
   82    H    ILE  11           HN       ILE  11   1.911  13.665   3.530
   83    HA   ILE  11           HA       ILE  11   2.421  14.402   6.230
   84    HB   ILE  11           HB       ILE  11   0.170  15.356   4.445
   85   1HG1  ILE  11          HG12      ILE  11   3.018  16.386   4.717
   86   2HG1  ILE  11          HG11      ILE  11   2.384  15.516   3.328
   87   1HG2  ILE  11          HG21      ILE  11   1.636  16.726   6.727
   88   2HG2  ILE  11          HG22      ILE  11   0.044  15.986   6.876
   89   3HG2  ILE  11          HG23      ILE  11   0.269  17.376   5.822
   90   1HD1  ILE  11          HD11      ILE  11   2.275  17.837   2.772
   91   2HD1  ILE  11          HD12      ILE  11   1.543  18.242   4.322
   92   3HD1  ILE  11          HD13      ILE  11   0.622  17.335   3.122
   93    H    GLU  12           HN       GLU  12  -0.333  12.867   4.618
   94    HA   GLU  12           HA       GLU  12  -2.166  12.789   6.711
   95   1HB   GLU  12          HB2       GLU  12  -1.596  10.883   4.434
   96   2HB   GLU  12          HB1       GLU  12  -2.902  10.560   5.572
   97   1HG   GLU  12          HG2       GLU  12  -2.643  13.180   4.061
   98   2HG   GLU  12          HG1       GLU  12  -3.579  11.815   3.459
   99    H    ASN  13           HN       ASN  13   0.687  10.781   6.175
  100    HA   ASN  13           HA       ASN  13   0.109   8.816   8.153
  101   1HB   ASN  13          HB2       ASN  13   2.714   9.734   6.903
  102   2HB   ASN  13          HB1       ASN  13   2.598   8.372   8.015
  103   1HD2  ASN  13          HD21      ASN  13   3.433   8.064   5.258
  104   2HD2  ASN  13          HD22      ASN  13   2.248   7.147   4.459
  105    H    LEU  14           HN       LEU  14   1.572  11.997   8.240
  106    HA   LEU  14           HA       LEU  14   2.699  11.815  10.868
  107   1HB   LEU  14          HB2       LEU  14   1.863  14.339   9.408
  108   2HB   LEU  14          HB1       LEU  14   3.122  14.161  10.635
  109    HG   LEU  14           HG       LEU  14   3.147  12.892   7.892
  110   1HD1  LEU  14          HD11      LEU  14   4.744  14.450   7.228
  111   2HD1  LEU  14          HD12      LEU  14   5.065  14.994   8.870
  112   3HD1  LEU  14          HD13      LEU  14   3.549  15.431   8.072
  113   1HD2  LEU  14          HD21      LEU  14   4.339  11.410   9.267
  114   2HD2  LEU  14          HD22      LEU  14   5.028  12.713  10.242
  115   3HD2  LEU  14          HD23      LEU  14   5.577  12.449   8.593
  116    H    LYS  15           HN       LYS  15  -0.360  12.942   9.537
  117    HA   LYS  15           HA       LYS  15  -1.428  14.226  11.739
  118   1HB   LYS  15          HB2       LYS  15  -2.457  14.135   9.465
  119   2HB   LYS  15          HB1       LYS  15  -2.958  12.477   9.803
  120   1HG   LYS  15          HG2       LYS  15  -4.284  13.230  11.716
  121   2HG   LYS  15          HG1       LYS  15  -3.726  14.886  11.479
  122   1HD   LYS  15          HD2       LYS  15  -4.797  14.934   9.258
  123   2HD   LYS  15          HD1       LYS  15  -5.355  13.277   9.490
  124   1HE   LYS  15          HE2       LYS  15  -7.161  14.829  10.051
  125   2HE   LYS  15          HE1       LYS  15  -6.608  14.013  11.513
  126   1HZ   LYS  15          HZ1       LYS  15  -5.239  16.485  10.851
  127   2HZ   LYS  15          HZ2       LYS  15  -5.764  15.899  12.357
  128   3HZ   LYS  15          HZ3       LYS  15  -6.865  16.652  11.305
  129    H    GLN  16           HN       GLN  16  -1.147  10.791  11.037
  130    HA   GLN  16           HA       GLN  16  -2.844   9.847  13.120
  131   1HB   GLN  16          HB2       GLN  16  -2.164   8.459  11.187
  132   2HB   GLN  16          HB1       GLN  16  -0.505   8.464  11.786
  133   1HG   GLN  16          HG2       GLN  16  -1.149   7.293  13.799
  134   2HG   GLN  16          HG1       GLN  16  -2.858   7.459  13.409
  135   1HE2  GLN  16          HE21      GLN  16  -2.215   4.895  13.803
  136   2HE2  GLN  16          HE22      GLN  16  -1.999   4.048  12.348
  137    H    HIS  17           HN       HIS  17   0.584  10.670  12.962
  138    HA   HIS  17           HA       HIS  17   1.355   9.560  15.440
  139   1HB   HIS  17          HB2       HIS  17   2.462  12.028  14.072
  140   2HB   HIS  17          HB1       HIS  17   3.276  11.064  15.304
  141    HD1  HIS  17           HD1      HIS  17   4.520  11.366  12.481
  142    HD2  HIS  17           HD2      HIS  17   2.042   8.206  13.600
  143    HE1  HIS  17           HE1      HIS  17   5.043   9.452  10.910
  144    HE2  HIS  17           HE2      HIS  17   3.545   7.516  11.582
  145    H    ILE  18           HN       ILE  18   0.371  12.898  14.637
  146    HA   ILE  18           HA       ILE  18   0.344  13.744  17.384
  147    HB   ILE  18           HB       ILE  18  -0.594  15.831  16.513
  148   1HG1  ILE  18          HG12      ILE  18  -0.917  14.221  13.971
  149   2HG1  ILE  18          HG11      ILE  18  -2.195  14.989  14.901
  150   1HG2  ILE  18          HG21      ILE  18   1.259  16.465  15.126
  151   2HG2  ILE  18          HG22      ILE  18   1.461  14.823  14.511
  152   3HG2  ILE  18          HG23      ILE  18   1.868  15.202  16.180
  153   1HD1  ILE  18          HD11      ILE  18  -0.984  17.209  14.427
  154   2HD1  ILE  18          HD12      ILE  18  -1.833  16.452  13.079
  155   3HD1  ILE  18          HD13      ILE  18  -0.080  16.311  13.204
  156    H    GLU  19           HN       GLU  19  -2.153  12.811  15.036
  157    HA   GLU  19           HA       GLU  19  -4.380  13.332  16.732
  158   1HB   GLU  19          HB2       GLU  19  -4.521  13.043  14.254
  159   2HB   GLU  19          HB1       GLU  19  -4.199  11.325  14.468
  160   1HG   GLU  19          HG2       GLU  19  -6.589  11.621  14.255
  161   2HG   GLU  19          HG1       GLU  19  -6.259  11.199  15.932
  162    H    MET  20           HN       MET  20  -2.711  10.279  15.933
  163    HA   MET  20           HA       MET  20  -3.992   8.998  18.286
  164   1HB   MET  20          HB2       MET  20  -2.518   7.714  15.971
  165   2HB   MET  20          HB1       MET  20  -3.410   6.891  17.244
  166   1HG   MET  20          HG2       MET  20  -5.477   8.087  16.520
  167   2HG   MET  20          HG1       MET  20  -4.564   8.778  15.178
  168   1HE   MET  20          HE1       MET  20  -6.436   6.389  13.005
  169   2HE   MET  20          HE2       MET  20  -5.292   7.725  12.890
  170   3HE   MET  20          HE3       MET  20  -6.661   7.839  13.994
  171    H    ASN  21           HN       ASN  21  -2.125   6.928  18.538
  172    HA   ASN  21           HA       ASN  21   0.492   8.105  19.068
  173   1HB   ASN  21          HB2       ASN  21  -0.864   8.752  21.051
  174   2HB   ASN  21          HB1       ASN  21  -1.200   7.047  21.345
  175   1HD2  ASN  21          HD21      ASN  21   0.004   7.792  23.478
  176   2HD2  ASN  21          HD22      ASN  21   1.688   7.582  23.477
  177    H    GLN  22           HN       GLN  22   0.011   6.161  17.283
  178    HA   GLN  22           HA       GLN  22  -0.021   3.511  18.201
  179   1HB   GLN  22          HB2       GLN  22  -0.309   4.191  15.827
  180   2HB   GLN  22          HB1       GLN  22   1.406   4.597  15.762
  181   1HG   GLN  22          HG2       GLN  22   2.034   2.300  16.210
  182   2HG   GLN  22          HG1       GLN  22   0.354   1.852  16.500
  183   1HE2  GLN  22          HE21      GLN  22   1.830   0.491  14.513
  184   2HE2  GLN  22          HE22      GLN  22   1.230   0.922  12.984
  185    H    SER  23           HN       SER  23   2.749   5.603  17.392
  186    HA   SER  23           HA       SER  23   4.377   4.684  19.505
  187   1HB   SER  23          HB2       SER  23   6.064   3.418  18.120
  188   2HB   SER  23          HB1       SER  23   4.541   2.570  18.345
  189    HG   SER  23           HG       SER  23   5.179   4.205  16.113
  190    H    GLU  24           HN       GLU  24   4.270   7.124  19.250
  191    HA   GLU  24           HA       GLU  24   6.763   8.031  18.198
  192   1HB   GLU  24          HB2       GLU  24   5.146   7.849  16.140
  193   2HB   GLU  24          HB1       GLU  24   4.396   9.299  16.792
  194   1HG   GLU  24          HG2       GLU  24   6.064  10.076  15.248
  195   2HG   GLU  24          HG1       GLU  24   6.756  10.330  16.851
  196    H    ASP  25           HN       ASP  25   5.129  10.712  17.736
  197    HA   ASP  25           HA       ASP  25   4.426  11.411  20.479
  198   1HB   ASP  25          HB2       ASP  25   6.812  12.617  19.055
  199   2HB   ASP  25          HB1       ASP  25   6.100  13.263  20.536
  200    H    LYS  26           HN       LYS  26   4.507  14.127  20.275
  201    HA   LYS  26           HA       LYS  26   2.328  14.618  18.410
  202   1HB   LYS  26          HB2       LYS  26   2.352  15.447  20.785
  203   2HB   LYS  26          HB1       LYS  26   3.633  16.567  20.332
  204   1HG   LYS  26          HG2       LYS  26   2.156  17.552  18.609
  205   2HG   LYS  26          HG1       LYS  26   0.880  16.417  19.051
  206   1HD   LYS  26          HD2       LYS  26   0.978  17.348  21.400
  207   2HD   LYS  26          HD1       LYS  26   2.085  18.583  20.801
  208   1HE   LYS  26          HE2       LYS  26   0.373  19.342  19.193
  209   2HE   LYS  26          HE1       LYS  26  -0.727  18.101  19.780
  210   1HZ   LYS  26          HZ1       LYS  26  -1.356  19.932  20.990
  211   2HZ   LYS  26          HZ2       LYS  26   0.228  20.527  21.140
  212   3HZ   LYS  26          HZ3       LYS  26  -0.268  19.186  22.058
  213    H    ILE  27           HN       ILE  27   4.386  17.322  18.970
  214    HA   ILE  27           HA       ILE  27   4.724  17.852  16.214
  215    HB   ILE  27           HB       ILE  27   4.753  19.563  18.019
  216   1HG1  ILE  27          HG12      ILE  27   7.289  19.575  16.353
  217   2HG1  ILE  27          HG11      ILE  27   5.698  19.937  15.697
  218   1HG2  ILE  27          HG21      ILE  27   6.675  19.880  19.409
  219   2HG2  ILE  27          HG22      ILE  27   7.597  18.663  18.527
  220   3HG2  ILE  27          HG23      ILE  27   6.243  18.175  19.547
  221   1HD1  ILE  27          HD11      ILE  27   7.441  21.770  16.854
  222   2HD1  ILE  27          HD12      ILE  27   6.236  21.508  18.112
  223   3HD1  ILE  27          HD13      ILE  27   5.734  22.028  16.502
  224    H    HIS  28           HN       HIS  28   6.828  16.361  18.640
  225    HA   HIS  28           HA       HIS  28   9.162  16.229  17.029
  226   1HB   HIS  28          HB2       HIS  28   9.157  15.925  19.480
  227   2HB   HIS  28          HB1       HIS  28   8.339  14.380  19.278
  228    HD1  HIS  28           HD1      HIS  28   9.801  12.377  18.786
  229    HD2  HIS  28           HD2      HIS  28  11.820  15.981  18.229
  230    HE1  HIS  28           HE1      HIS  28  12.221  11.780  18.338
  231    HE2  HIS  28           HE2      HIS  28  13.466  13.967  17.997
  232    H    ALA  29           HN       ALA  29   6.348  15.061  16.133
  233    HA   ALA  29           HA       ALA  29   6.973  12.340  15.388
  234   1HB   ALA  29          HB1       ALA  29   4.656  12.988  15.762
  235   2HB   ALA  29          HB2       ALA  29   4.868  12.504  14.079
  236   3HB   ALA  29          HB3       ALA  29   4.765  14.214  14.499
  237    H    MET  30           HN       MET  30   6.825  15.471  13.717
  238    HA   MET  30           HA       MET  30   7.429  14.514  11.130
  239   1HB   MET  30          HB2       MET  30   8.344  17.029  10.937
  240   2HB   MET  30          HB1       MET  30   6.617  16.710  11.062
  241   1HG   MET  30          HG2       MET  30   6.504  17.407  13.294
  242   2HG   MET  30          HG1       MET  30   8.197  17.029  13.604
  243   1HE   MET  30          HE1       MET  30  10.200  18.457  12.979
  244   2HE   MET  30          HE2       MET  30   9.410  18.984  14.463
  245   3HE   MET  30          HE3       MET  30  10.002  20.179  13.316
  246    H    ASN  31           HN       ASN  31   9.534  15.813  13.719
  247    HA   ASN  31           HA       ASN  31  11.957  15.772  12.348
  248   1HB   ASN  31          HB2       ASN  31  11.687  16.693  14.617
  249   2HB   ASN  31          HB1       ASN  31  11.466  15.064  15.251
  250   1HD2  ASN  31          HD21      ASN  31  13.415  15.091  16.549
  251   2HD2  ASN  31          HD22      ASN  31  14.960  15.099  15.846
  252    H    SER  32           HN       SER  32  10.475  13.132  14.251
  253    HA   SER  32           HA       SER  32  12.507  11.226  13.723
  254   1HB   SER  32          HB2       SER  32  10.776   9.571  14.411
  255   2HB   SER  32          HB1       SER  32  10.917  10.921  15.536
  256    HG   SER  32           HG       SER  32   9.016  11.661  14.907
  257    H    TYR  33           HN       TYR  33   9.270  11.608  12.257
  258    HA   TYR  33           HA       TYR  33   9.557   9.632  10.282
  259   1HB   TYR  33          HB2       TYR  33   7.377  10.565  10.890
  260   2HB   TYR  33          HB1       TYR  33   7.866  12.152  10.294
  261    HD1  TYR  33           HD2      TYR  33   8.299  12.515   7.886
  262    HD2  TYR  33           HD1      TYR  33   6.706   8.805   9.346
  263    HE1  TYR  33           HE2      TYR  33   7.625  11.891   5.574
  264    HE2  TYR  33           HE1      TYR  33   6.023   8.186   7.043
  265    HH   TYR  33           HH       TYR  33   6.528   8.708   4.775
  266    H    TYR  34           HN       TYR  34  10.233  13.110  10.242
  267    HA   TYR  34           HA       TYR  34  10.838  13.438   7.545
  268   1HB   TYR  34          HB2       TYR  34  10.621  15.353   9.037
  269   2HB   TYR  34          HB1       TYR  34  12.030  14.837   9.963
  270    HD1  TYR  34           HD2      TYR  34  14.297  14.937   8.957
  271    HD2  TYR  34           HD1      TYR  34  10.849  16.460   6.894
  272    HE1  TYR  34           HE2      TYR  34  15.777  16.144   7.375
  273    HE2  TYR  34           HE1      TYR  34  12.331  17.664   5.309
  274    HH   TYR  34           HH       TYR  34  14.464  18.363   4.959
  275    H    ARG  35           HN       ARG  35  12.998  12.553  10.237
  276    HA   ARG  35           HA       ARG  35  15.271  12.170   8.527
  277   1HB   ARG  35          HB2       ARG  35  15.479  12.853  10.903
  278   2HB   ARG  35          HB1       ARG  35  14.866  11.269  11.386
  279   1HG   ARG  35          HG2       ARG  35  16.743  10.150  10.340
  280   2HG   ARG  35          HG1       ARG  35  17.315  11.661   9.634
  281   1HD   ARG  35          HD2       ARG  35  17.612  12.557  11.951
  282   2HD   ARG  35          HD1       ARG  35  17.190  10.964  12.575
  283    HE   ARG  35           HE       ARG  35  19.264  10.620  10.723
  284   1HH1  ARG  35          HH21      ARG  35  18.633  12.177  13.748
  285   2HH1  ARG  35          HH22      ARG  35  20.255  12.011  14.333
  286   1HH2  ARG  35          HH11      ARG  35  21.395  10.389  11.487
  287   2HH2  ARG  35          HH12      ARG  35  21.819  10.998  13.052
  288    H    SER  36           HN       SER  36  12.564  10.282   9.462
  289    HA   SER  36           HA       SER  36  13.744   7.691   9.247
  290   1HB   SER  36          HB2       SER  36  11.511   8.203  10.339
  291   2HB   SER  36          HB1       SER  36  10.841   8.373   8.720
  292    HG   SER  36           HG       SER  36  11.376   6.251   8.301
  293    H    VAL  37           HN       VAL  37  11.809   9.644   6.973
  294    HA   VAL  37           HA       VAL  37  12.177   7.758   4.822
  295    HB   VAL  37           HB       VAL  37  10.964   9.281   3.446
  296   1HG1  VAL  37          HG11      VAL  37   8.966   9.609   4.743
  297   2HG1  VAL  37          HG12      VAL  37   9.876   9.615   6.252
  298   3HG1  VAL  37          HG13      VAL  37   9.733   8.130   5.309
  299   1HG2  VAL  37          HG21      VAL  37  10.411  11.624   4.351
  300   2HG2  VAL  37          HG22      VAL  37  12.071  11.376   3.808
  301   3HG2  VAL  37          HG23      VAL  37  11.696  11.360   5.535
  302    H    VAL  38           HN       VAL  38  13.541  10.945   5.616
  303    HA   VAL  38           HA       VAL  38  15.126  11.266   3.330
  304    HB   VAL  38           HB       VAL  38  15.529  12.193   6.185
  305   1HG1  VAL  38          HG11      VAL  38  17.740  12.247   5.258
  306   2HG1  VAL  38          HG12      VAL  38  17.124  13.891   5.109
  307   3HG1  VAL  38          HG13      VAL  38  17.145  12.827   3.702
  308   1HG2  VAL  38          HG21      VAL  38  14.633  14.281   5.401
  309   2HG2  VAL  38          HG22      VAL  38  13.555  13.022   4.798
  310   3HG2  VAL  38          HG23      VAL  38  14.737  13.763   3.716
  311    H    SER  39           HN       SER  39  15.958   9.720   6.453
  312    HA   SER  39           HA       SER  39  18.582   9.000   5.747
  313   1HB   SER  39          HB2       SER  39  16.663   7.638   7.654
  314   2HB   SER  39          HB1       SER  39  18.400   7.357   7.582
  315    HG   SER  39           HG       SER  39  18.766   9.346   8.352
  316    H    THR  40           HN       THR  40  15.482   7.304   5.366
  317    HA   THR  40           HA       THR  40  16.622   4.904   4.321
  318    HB   THR  40           HB       THR  40  13.818   6.008   3.987
  319    HG1  THR  40           HG1      THR  40  14.188   3.941   5.695
  320   1HG2  THR  40          HG21      THR  40  14.200   4.273   2.364
  321   2HG2  THR  40          HG22      THR  40  13.307   3.539   3.694
  322   3HG2  THR  40          HG23      THR  40  15.045   3.269   3.544
  323    H    LEU  41           HN       LEU  41  15.109   7.746   2.798
  324    HA   LEU  41           HA       LEU  41  15.355   6.853   0.132
  325   1HB   LEU  41          HB2       LEU  41  15.161   9.613   1.337
  326   2HB   LEU  41          HB1       LEU  41  15.165   9.344  -0.401
  327    HG   LEU  41           HG       LEU  41  13.177   8.058   1.505
  328   1HD1  LEU  41          HD11      LEU  41  11.573   9.758   0.682
  329   2HD1  LEU  41          HD12      LEU  41  12.864  10.517  -0.252
  330   3HD1  LEU  41          HD13      LEU  41  12.937  10.510   1.510
  331   1HD2  LEU  41          HD21      LEU  41  13.593   7.990  -1.479
  332   2HD2  LEU  41          HD22      LEU  41  11.932   7.993  -0.887
  333   3HD2  LEU  41          HD23      LEU  41  13.040   6.723  -0.389
  334    H    VAL  42           HN       VAL  42  17.605   8.388   2.320
  335    HA   VAL  42           HA       VAL  42  19.579   8.926   0.218
  336    HB   VAL  42           HB       VAL  42  19.644   9.268   3.229
  337   1HG1  VAL  42          HG11      VAL  42  21.776  10.603   2.699
  338   2HG1  VAL  42          HG12      VAL  42  21.771   9.798   1.130
  339   3HG1  VAL  42          HG13      VAL  42  21.925   8.849   2.608
  340   1HG2  VAL  42          HG21      VAL  42  19.386  11.600   2.772
  341   2HG2  VAL  42          HG22      VAL  42  18.223  10.810   1.710
  342   3HG2  VAL  42          HG23      VAL  42  19.753  11.389   1.060
  343    H    GLN  43           HN       GLN  43  19.060   6.603   2.837
  344    HA   GLN  43           HA       GLN  43  21.587   5.303   2.590
  345   1HB   GLN  43          HB2       GLN  43  18.949   4.549   3.844
  346   2HB   GLN  43          HB1       GLN  43  20.264   3.376   3.766
  347   1HG   GLN  43          HG2       GLN  43  21.715   4.778   5.064
  348   2HG   GLN  43          HG1       GLN  43  20.625   6.151   4.945
  349   1HE2  GLN  43          HE21      GLN  43  21.168   5.645   7.502
  350   2HE2  GLN  43          HE22      GLN  43  19.949   4.751   8.275
  351    H    ASP  44           HN       ASP  44  19.031   5.472   0.459
  352    HA   ASP  44           HA       ASP  44  20.059   3.198  -1.083
  353   1HB   ASP  44          HB2       ASP  44  17.853   2.230  -1.389
  354   2HB   ASP  44          HB1       ASP  44  18.235   2.291   0.328
  355    H    GLN  45           HN       GLN  45  19.114   3.163  -3.280
  356    HA   GLN  45           HA       GLN  45  18.294   4.173  -5.216
  357   1HB   GLN  45          HB2       GLN  45  16.627   5.386  -3.696
  358   2HB   GLN  45          HB1       GLN  45  17.782   6.712  -3.635
  359   1HG   GLN  45          HG2       GLN  45  17.709   6.971  -6.019
  360   2HG   GLN  45          HG1       GLN  45  16.613   5.600  -6.174
  361   1HE2  GLN  45          HE21      GLN  45  15.902   8.278  -7.043
  362   2HE2  GLN  45          HE22      GLN  45  14.639   8.825  -6.048
  363    H    LEU  46           HN       LEU  46  19.661   6.957  -3.457
  364    HA   LEU  46           HA       LEU  46  21.307   8.443  -4.115
  365   1HB   LEU  46          HB2       LEU  46  22.609   5.754  -4.547
  366   2HB   LEU  46          HB1       LEU  46  23.507   7.271  -4.531
  367    HG   LEU  46           HG       LEU  46  21.697   6.598  -2.195
  368   1HD1  LEU  46          HD11      LEU  46  23.647   5.513  -1.073
  369   2HD1  LEU  46          HD12      LEU  46  24.528   5.580  -2.601
  370   3HD1  LEU  46          HD13      LEU  46  23.073   4.594  -2.464
  371   1HD2  LEU  46          HD21      LEU  46  22.763   8.846  -2.314
  372   2HD2  LEU  46          HD22      LEU  46  24.347   8.075  -2.399
  373   3HD2  LEU  46          HD23      LEU  46  23.362   7.913  -0.945
  374    H    THR  47           HN       THR  47  19.444   8.081  -6.158
  375    HA   THR  47           HA       THR  47  20.538   7.386  -8.654
  376    HB   THR  47           HB       THR  47  18.267   9.233  -7.900
  377    HG1  THR  47           HG1      THR  47  18.271   6.641  -9.032
  378   1HG2  THR  47          HG21      THR  47  17.547   8.868 -10.302
  379   2HG2  THR  47          HG22      THR  47  19.173   8.259 -10.618
  380   3HG2  THR  47          HG23      THR  47  18.941   9.927 -10.095
  381    H    LYS  48           HN       LYS  48  20.489  10.382  -6.834
  382    HA   LYS  48           HA       LYS  48  22.796  11.440  -8.063
  383   1HB   LYS  48          HB2       LYS  48  21.274  11.658 -10.036
  384   2HB   LYS  48          HB1       LYS  48  20.219  12.665  -9.064
  385   1HG   LYS  48          HG2       LYS  48  21.967  14.295  -8.769
  386   2HG   LYS  48          HG1       LYS  48  23.121  13.269  -9.606
  387   1HD   LYS  48          HD2       LYS  48  21.759  13.431 -11.654
  388   2HD   LYS  48          HD1       LYS  48  20.607  14.463 -10.803
  389   1HE   LYS  48          HE2       LYS  48  22.053  15.956 -11.986
  390   2HE   LYS  48          HE1       LYS  48  22.593  16.019 -10.305
  391   1HZ   LYS  48          HZ1       LYS  48  24.575  15.334 -10.961
  392   2HZ   LYS  48          HZ2       LYS  48  24.051  15.263 -12.576
  393   3HZ   LYS  48          HZ3       LYS  48  23.907  13.900 -11.571
  394    H    ASN  49           HN       ASN  49  23.487  13.303  -7.020
  395    HA   ASN  49           HA       ASN  49  22.475  13.865  -4.473
  396   1HB   ASN  49          HB2       ASN  49  24.109  15.707  -6.228
  397   2HB   ASN  49          HB1       ASN  49  23.947  15.807  -4.476
  398   1HD2  ASN  49          HD21      ASN  49  24.054  12.874  -4.067
  399   2HD2  ASN  49          HD22      ASN  49  25.660  12.414  -4.363
  400    H    ALA  50           HN       ALA  50  21.904  15.491  -7.568
  401    HA   ALA  50           HA       ALA  50  20.365  17.635  -6.511
  402   1HB   ALA  50          HB1       ALA  50  19.673  18.050  -8.786
  403   2HB   ALA  50          HB2       ALA  50  20.152  16.427  -9.275
  404   3HB   ALA  50          HB3       ALA  50  21.377  17.601  -8.803
  405    H    VAL  51           HN       VAL  51  19.413  14.526  -7.969
  406    HA   VAL  51           HA       VAL  51  16.642  14.833  -7.890
  407    HB   VAL  51           HB       VAL  51  18.415  12.406  -7.563
  408   1HG1  VAL  51          HG11      VAL  51  15.390  12.500  -7.602
  409   2HG1  VAL  51          HG12      VAL  51  16.439  11.662  -6.458
  410   3HG1  VAL  51          HG13      VAL  51  16.286  11.064  -8.110
  411   1HG2  VAL  51          HG21      VAL  51  16.562  13.143  -9.844
  412   2HG2  VAL  51          HG22      VAL  51  17.886  11.984  -9.851
  413   3HG2  VAL  51          HG23      VAL  51  18.230  13.710  -9.768
  414    H    VAL  52           HN       VAL  52  18.482  12.985  -5.454
  415    HA   VAL  52           HA       VAL  52  16.489  12.701  -3.578
  416    HB   VAL  52           HB       VAL  52  18.270  12.500  -1.880
  417   1HG1  VAL  52          HG11      VAL  52  17.945  10.632  -3.478
  418   2HG1  VAL  52          HG12      VAL  52  19.634  10.787  -2.998
  419   3HG1  VAL  52          HG13      VAL  52  19.110  11.376  -4.575
  420   1HG2  VAL  52          HG21      VAL  52  19.977  13.700  -4.066
  421   2HG2  VAL  52          HG22      VAL  52  20.634  12.956  -2.615
  422   3HG2  VAL  52          HG23      VAL  52  19.652  14.412  -2.489
  423    H    LEU  53           HN       LEU  53  18.442  15.538  -4.224
  424    HA   LEU  53           HA       LEU  53  17.831  16.998  -1.907
  425   1HB   LEU  53          HB2       LEU  53  19.263  17.461  -4.309
  426   2HB   LEU  53          HB1       LEU  53  18.070  18.738  -4.259
  427    HG   LEU  53           HG       LEU  53  20.189  19.417  -3.211
  428   1HD1  LEU  53          HD11      LEU  53  18.051  19.145  -1.084
  429   2HD1  LEU  53          HD12      LEU  53  17.971  20.303  -2.414
  430   3HD1  LEU  53          HD13      LEU  53  19.270  20.405  -1.226
  431   1HD2  LEU  53          HD21      LEU  53  20.413  16.859  -2.244
  432   2HD2  LEU  53          HD22      LEU  53  19.847  17.694  -0.798
  433   3HD2  LEU  53          HD23      LEU  53  21.316  18.233  -1.613
  434    H    LYS  54           HN       LYS  54  16.137  16.712  -4.989
  435    HA   LYS  54           HA       LYS  54  14.169  18.672  -4.594
  436   1HB   LYS  54          HB2       LYS  54  13.996  16.038  -6.081
  437   2HB   LYS  54          HB1       LYS  54  12.858  17.372  -6.244
  438   1HG   LYS  54          HG2       LYS  54  14.554  18.831  -7.133
  439   2HG   LYS  54          HG1       LYS  54  15.831  17.687  -6.734
  440   1HD   LYS  54          HD2       LYS  54  15.481  17.413  -9.070
  441   2HD   LYS  54          HD1       LYS  54  14.662  16.041  -8.329
  442   1HE   LYS  54          HE2       LYS  54  13.320  17.148 -10.128
  443   2HE   LYS  54          HE1       LYS  54  12.500  17.147  -8.570
  444   1HZ   LYS  54          HZ1       LYS  54  12.516  19.358  -8.514
  445   2HZ   LYS  54          HZ2       LYS  54  12.976  19.319 -10.148
  446   3HZ   LYS  54          HZ3       LYS  54  14.157  19.453  -8.934
  447    H    ARG  55           HN       ARG  55  14.278  15.248  -3.681
  448    HA   ARG  55           HA       ARG  55  11.651  15.096  -2.655
  449   1HB   ARG  55          HB2       ARG  55  14.157  13.493  -2.079
  450   2HB   ARG  55          HB1       ARG  55  12.566  13.074  -1.444
  451   1HG   ARG  55          HG2       ARG  55  11.685  12.928  -3.751
  452   2HG   ARG  55          HG1       ARG  55  13.282  13.331  -4.382
  453   1HD   ARG  55          HD2       ARG  55  14.214  11.318  -3.292
  454   2HD   ARG  55          HD1       ARG  55  12.611  10.912  -2.684
  455    HE   ARG  55           HE       ARG  55  12.694  11.237  -5.557
  456   1HH1  ARG  55          HH21      ARG  55  13.218   9.104  -2.887
  457   2HH1  ARG  55          HH22      ARG  55  12.982   7.659  -3.813
  458   1HH2  ARG  55          HH11      ARG  55  12.384   9.350  -6.782
  459   2HH2  ARG  55          HH12      ARG  55  12.509   7.800  -6.020
  460    H    ILE  56           HN       ILE  56  14.782  15.864  -1.171
  461    HA   ILE  56           HA       ILE  56  13.816  16.046   1.500
  462    HB   ILE  56           HB       ILE  56  16.235  17.299   0.174
  463   1HG1  ILE  56          HG12      ILE  56  16.041  14.832   1.939
  464   2HG1  ILE  56          HG11      ILE  56  16.033  14.762   0.180
  465   1HG2  ILE  56          HG21      ILE  56  15.451  17.010   3.091
  466   2HG2  ILE  56          HG22      ILE  56  15.788  18.506   2.222
  467   3HG2  ILE  56          HG23      ILE  56  17.092  17.379   2.565
  468   1HD1  ILE  56          HD11      ILE  56  18.225  16.038   1.823
  469   2HD1  ILE  56          HD12      ILE  56  18.205  15.828   0.079
  470   3HD1  ILE  56          HD13      ILE  56  18.304  14.421   1.128
  471    H    GLN  57           HN       GLN  57  14.573  18.542  -0.939
  472    HA   GLN  57           HA       GLN  57  13.804  20.771   0.552
  473   1HB   GLN  57          HB2       GLN  57  13.736  20.269  -2.435
  474   2HB   GLN  57          HB1       GLN  57  13.436  21.849  -1.711
  475   1HG   GLN  57          HG2       GLN  57  15.945  20.242  -1.168
  476   2HG   GLN  57          HG1       GLN  57  15.835  21.424  -2.468
  477   1HE2  GLN  57          HE21      GLN  57  15.797  23.679  -1.902
  478   2HE2  GLN  57          HE22      GLN  57  16.083  24.220  -0.318
  479    H    HIS  58           HN       HIS  58  11.906  18.613  -1.520
  480    HA   HIS  58           HA       HIS  58   9.480  20.108  -1.259
  481   1HB   HIS  58          HB2       HIS  58  10.027  17.250  -2.111
  482   2HB   HIS  58          HB1       HIS  58   8.427  17.990  -2.147
  483    HD1  HIS  58           HD1      HIS  58   9.445  20.848  -3.078
  484    HD2  HIS  58           HD2      HIS  58  10.382  17.231  -4.927
  485    HE1  HIS  58           HE1      HIS  58  10.070  21.406  -5.469
  486    HE2  HIS  58           HE2      HIS  58  10.644  19.210  -6.609
  487    H    LEU  59           HN       LEU  59  10.851  17.291   0.404
  488    HA   LEU  59           HA       LEU  59   8.651  16.586   1.953
  489   1HB   LEU  59          HB2       LEU  59  10.802  15.320   1.853
  490   2HB   LEU  59          HB1       LEU  59  11.536  16.562   2.860
  491    HG   LEU  59           HG       LEU  59   9.914  16.050   4.666
  492   1HD1  LEU  59          HD11      LEU  59   7.956  15.185   3.717
  493   2HD1  LEU  59          HD12      LEU  59   8.714  13.711   4.305
  494   3HD1  LEU  59          HD13      LEU  59   8.826  14.136   2.594
  495   1HD2  LEU  59          HD21      LEU  59  12.091  14.951   4.602
  496   2HD2  LEU  59          HD22      LEU  59  11.444  13.683   3.557
  497   3HD2  LEU  59          HD23      LEU  59  10.874  13.835   5.218
  498    H    ASP  60           HN       ASP  60  10.646  19.400   2.155
  499    HA   ASP  60           HA       ASP  60  10.336  20.109   4.848
  500   1HB   ASP  60          HB2       ASP  60  11.013  22.301   4.228
  501   2HB   ASP  60          HB1       ASP  60  11.767  21.271   3.016
  502    H    GLU  61           HN       GLU  61   8.100  20.289   2.151
  503    HA   GLU  61           HA       GLU  61   6.248  22.124   3.206
  504   1HB   GLU  61          HB2       GLU  61   4.763  21.366   1.507
  505   2HB   GLU  61          HB1       GLU  61   6.376  21.154   0.832
  506   1HG   GLU  61          HG2       GLU  61   6.228  18.723   1.758
  507   2HG   GLU  61          HG1       GLU  61   4.504  19.034   1.921
  508    H    ALA  62           HN       ALA  62   6.750  18.697   3.768
  509    HA   ALA  62           HA       ALA  62   4.293  18.274   5.176
  510   1HB   ALA  62          HB1       ALA  62   6.834  16.638   5.337
  511   2HB   ALA  62          HB2       ALA  62   5.663  16.493   4.026
  512   3HB   ALA  62          HB3       ALA  62   5.189  16.108   5.676
  513    H    TYR  63           HN       TYR  63   7.692  18.439   6.300
  514    HA   TYR  63           HA       TYR  63   7.263  18.354   9.023
  515   1HB   TYR  63          HB2       TYR  63   9.558  18.458   8.790
  516   2HB   TYR  63          HB1       TYR  63   9.416  19.269   7.233
  517    HD1  TYR  63           HD2      TYR  63   9.136  21.733   7.122
  518    HD2  TYR  63           HD1      TYR  63   9.990  19.745  10.828
  519    HE1  TYR  63           HE2      TYR  63   9.745  23.907   8.139
  520    HE2  TYR  63           HE1      TYR  63  10.603  21.924  11.849
  521    HH   TYR  63           HH       TYR  63   9.806  24.857  10.530
  522    H    ASN  64           HN       ASN  64   6.964  21.104   6.821
  523    HA   ASN  64           HA       ASN  64   6.529  23.072   8.850
  524   1HB   ASN  64          HB2       ASN  64   7.316  23.627   6.577
  525   2HB   ASN  64          HB1       ASN  64   5.758  23.119   5.925
  526   1HD2  ASN  64          HD21      ASN  64   5.037  25.217   5.232
  527   2HD2  ASN  64          HD22      ASN  64   4.730  26.481   6.321
  528    H    LYS  65           HN       LYS  65   4.420  21.071   6.836
  529    HA   LYS  65           HA       LYS  65   1.986  22.309   7.503
  530   1HB   LYS  65          HB2       LYS  65   2.601  20.427   5.742
  531   2HB   LYS  65          HB1       LYS  65   2.121  19.331   7.024
  532   1HG   LYS  65          HG2       LYS  65   0.430  21.500   5.734
  533   2HG   LYS  65          HG1       LYS  65   0.211  19.758   5.590
  534   1HD   LYS  65          HD2       LYS  65  -0.085  19.764   8.168
  535   2HD   LYS  65          HD1       LYS  65  -0.270  21.511   8.006
  536   1HE   LYS  65          HE2       LYS  65  -2.475  20.522   7.941
  537   2HE   LYS  65          HE1       LYS  65  -2.085  21.110   6.324
  538   1HZ   LYS  65          HZ1       LYS  65  -2.345  19.068   5.552
  539   2HZ   LYS  65          HZ2       LYS  65  -2.729  18.503   7.108
  540   3HZ   LYS  65          HZ3       LYS  65  -1.117  18.497   6.572
  541    H    VAL  66           HN       VAL  66   3.653  19.540   9.010
  542    HA   VAL  66           HA       VAL  66   1.739  18.897  10.932
  543    HB   VAL  66           HB       VAL  66   4.768  18.799  11.187
  544   1HG1  VAL  66          HG11      VAL  66   3.869  18.580  13.394
  545   2HG1  VAL  66          HG12      VAL  66   4.191  16.936  12.846
  546   3HG1  VAL  66          HG13      VAL  66   2.542  17.562  12.832
  547   1HG2  VAL  66          HG21      VAL  66   4.104  17.485   9.298
  548   2HG2  VAL  66          HG22      VAL  66   2.688  16.851  10.137
  549   3HG2  VAL  66          HG23      VAL  66   4.301  16.342  10.627
  550    H    LYS  67           HN       LYS  67   4.549  21.063  11.316
  551    HA   LYS  67           HA       LYS  67   3.909  21.962  13.895
  552   1HB   LYS  67          HB2       LYS  67   5.359  23.436  11.694
  553   2HB   LYS  67          HB1       LYS  67   5.410  23.814  13.412
  554   1HG   LYS  67          HG2       LYS  67   6.065  21.067  13.345
  555   2HG   LYS  67          HG1       LYS  67   6.869  21.713  11.928
  556   1HD   LYS  67          HD2       LYS  67   7.153  22.812  14.735
  557   2HD   LYS  67          HD1       LYS  67   8.298  21.726  13.958
  558   1HE   LYS  67          HE2       LYS  67   8.542  23.486  12.120
  559   2HE   LYS  67          HE1       LYS  67   7.621  24.578  13.154
  560   1HZ   LYS  67          HZ1       LYS  67  10.306  23.453  13.577
  561   2HZ   LYS  67          HZ2       LYS  67   9.357  23.865  14.925
  562   3HZ   LYS  67          HZ3       LYS  67   9.766  25.049  13.777
  563    H    ARG  68           HN       ARG  68   3.158  23.367  10.718
  564    HA   ARG  68           HA       ARG  68   1.843  25.656  11.619
  565   1HB   ARG  68          HB2       ARG  68   2.565  24.961   9.218
  566   2HB   ARG  68          HB1       ARG  68   1.017  24.129   9.137
  567   1HG   ARG  68          HG2       ARG  68   0.399  26.209   8.282
  568   2HG   ARG  68          HG1       ARG  68   0.092  26.495   9.991
  569   1HD   ARG  68          HD2       ARG  68   2.454  27.433  10.147
  570   2HD   ARG  68          HD1       ARG  68   2.536  27.312   8.393
  571    HE   ARG  68           HE       ARG  68   1.126  29.153   8.227
  572   1HH1  ARG  68          HH21      ARG  68   1.136  27.887  11.448
  573   2HH1  ARG  68          HH22      ARG  68   0.255  29.218  12.119
  574   1HH2  ARG  68          HH11      ARG  68  -0.021  30.902   9.101
  575   2HH2  ARG  68          HH12      ARG  68  -0.400  30.925  10.790
  576    H    GLY  69           HN       GLY  69   0.979  22.392  11.919
  577   1HA   GLY  69          HA2       GLY  69  -1.903  22.938  12.209
  578   2HA   GLY  69          HA1       GLY  69  -1.137  21.359  12.085
  579    H    GLU  70           HN       GLU  70   0.995  22.236  14.018
  580    HA   GLU  70           HA       GLU  70  -0.048  21.143  16.361
  581   1HB   GLU  70          HB2       GLU  70   2.308  22.982  15.879
  582   2HB   GLU  70          HB1       GLU  70   1.954  22.315  17.469
  583   1HG   GLU  70          HG2       GLU  70   2.281  20.577  15.006
  584   2HG   GLU  70          HG1       GLU  70   3.619  20.993  16.067
  585    H    SER  71           HN       SER  71   1.290  24.209  17.086
  586    HA   SER  71           HA       SER  71  -1.146  25.686  17.312
  587   1HB   SER  71          HB2       SER  71  -1.391  25.651  19.714
  588   2HB   SER  71          HB1       SER  71  -1.426  23.994  19.120
  589    HG   SER  71           HG       SER  71   0.447  23.611  20.041
  590    H    LYS  72           HN       LYS  72   0.300  26.597  20.008
  591    HA   LYS  72           HA       LYS  72   2.646  27.960  18.988
  592   1HB   LYS  72          HB2       LYS  72   1.575  30.260  19.554
  593   2HB   LYS  72          HB1       LYS  72   1.121  29.506  18.027
  594   1HG   LYS  72          HG2       LYS  72  -0.943  28.653  19.004
  595   2HG   LYS  72          HG1       LYS  72  -0.488  29.266  20.590
  596   1HD   LYS  72          HD2       LYS  72  -0.450  31.576  19.635
  597   2HD   LYS  72          HD1       LYS  72  -1.049  30.915  18.113
  598   1HE   LYS  72          HE2       LYS  72  -2.461  30.624  20.781
  599   2HE   LYS  72          HE1       LYS  72  -2.875  31.825  19.559
  600   1HZ   LYS  72          HZ1       LYS  72  -4.274  30.184  18.925
  601   2HZ   LYS  72          HZ2       LYS  72  -3.301  28.941  19.554
  602   3HZ   LYS  72          HZ3       LYS  72  -2.909  29.660  18.066
  603    H    LEU  73           HN       LEU  73   3.520  26.777  20.772
  604    HA   LEU  73           HA       LEU  73   3.712  28.293  23.155
  605   1HB   LEU  73          HB2       LEU  73   1.419  27.104  23.401
  606   2HB   LEU  73          HB1       LEU  73   2.349  25.617  23.555
  607    HG   LEU  73           HG       LEU  73   3.699  27.018  25.390
  608   1HD1  LEU  73          HD11      LEU  73   0.970  28.351  25.455
  609   2HD1  LEU  73          HD12      LEU  73   2.463  29.141  24.953
  610   3HD1  LEU  73          HD13      LEU  73   2.277  28.590  26.615
  611   1HD2  LEU  73          HD21      LEU  73   0.941  25.831  25.838
  612   2HD2  LEU  73          HD22      LEU  73   2.077  26.216  27.132
  613   3HD2  LEU  73          HD23      LEU  73   2.486  24.987  25.936
  614    H    GLU  74           HN       GLU  74   5.670  27.469  21.503
  615    HA   GLU  74           HA       GLU  74   6.824  24.958  22.496
  616   1HB   GLU  74          HB2       GLU  74   8.032  26.929  20.538
  617   2HB   GLU  74          HB1       GLU  74   8.461  25.233  20.769
  618   1HG   GLU  74          HG2       GLU  74   6.111  24.619  20.075
  619   2HG   GLU  74          HG1       GLU  74   5.847  26.316  19.685
  620    H    HIS  75           HN       HIS  75   6.744  26.206  24.695
  621    HA   HIS  75           HA       HIS  75   7.902  27.097  26.447
  622   1HB   HIS  75          HB2       HIS  75  10.341  26.569  24.725
  623   2HB   HIS  75          HB1       HIS  75  10.314  26.815  26.470
  624    HD1  HIS  75           HD1      HIS  75   8.899  24.983  27.868
  625    HD2  HIS  75           HD2      HIS  75   9.895  23.923  23.960
  626    HE1  HIS  75           HE1      HIS  75   8.606  22.472  27.709
  627    HE2  HIS  75           HE2      HIS  75   9.209  21.810  25.333
  628    H    HIS  76           HN       HIS  76   6.861  29.140  25.876
  629    HA   HIS  76           HA       HIS  76   6.870  31.399  25.479
  630   1HB   HIS  76          HB2       HIS  76   9.829  31.077  26.050
  631   2HB   HIS  76          HB1       HIS  76   8.920  32.588  26.105
  632    HD1  HIS  76           HD1      HIS  76   9.110  29.216  27.836
  633    HD2  HIS  76           HD2      HIS  76   7.534  33.019  28.497
  634    HE1  HIS  76           HE1      HIS  76   8.260  29.234  30.222
  635    HE2  HIS  76           HE2      HIS  76   7.296  31.546  30.640
  636    H    HIS  77           HN       HIS  77   6.321  31.237  23.268
  637    HA   HIS  77           HA       HIS  77   8.339  30.963  21.230
  638   1HB   HIS  77          HB2       HIS  77   5.924  30.281  20.963
  639   2HB   HIS  77          HB1       HIS  77   5.503  31.992  20.919
  640    HD1  HIS  77           HD1      HIS  77   5.036  32.496  18.503
  641    HD2  HIS  77           HD2      HIS  77   8.468  30.175  18.966
  642    HE1  HIS  77           HE1      HIS  77   6.066  32.272  16.200
  643    HE2  HIS  77           HE2      HIS  77   8.160  30.860  16.466
  644    H    HIS  78           HN       HIS  78   9.818  32.524  21.028
  645    HA   HIS  78           HA       HIS  78   9.602  35.191  21.794
  646   1HB   HIS  78          HB2       HIS  78  11.738  34.073  21.237
  647   2HB   HIS  78          HB1       HIS  78  11.277  34.066  19.535
  648    HD1  HIS  78           HD1      HIS  78  12.619  35.851  18.420
  649    HD2  HIS  78           HD2      HIS  78  11.154  37.115  22.112
  650    HE1  HIS  78           HE1      HIS  78  13.270  38.287  18.653
  651    HE2  HIS  78           HE2      HIS  78  12.384  39.072  20.899
  652    H    HIS  79           HN       HIS  79   9.856  34.314  18.362
  653    HA   HIS  79           HA       HIS  79   8.614  36.663  17.432
  654   1HB   HIS  79          HB2       HIS  79   8.923  33.967  16.087
  655   2HB   HIS  79          HB1       HIS  79   8.453  35.456  15.267
  656    HD1  HIS  79           HD1      HIS  79  11.390  33.644  16.626
  657    HD2  HIS  79           HD2      HIS  79  10.554  37.466  15.188
  658    HE1  HIS  79           HE1      HIS  79  13.626  34.761  16.220
  659    HE2  HIS  79           HE2      HIS  79  13.134  37.092  15.343
  660    H    HIS  80           HN       HIS  80   6.564  36.837  16.275
  661    HA   HIS  80           HA       HIS  80   4.378  35.921  17.832
  662   1HB   HIS  80          HB2       HIS  80   4.436  37.133  15.057
  663   2HB   HIS  80          HB1       HIS  80   2.983  36.912  16.032
  664    HD1  HIS  80           HD1      HIS  80   6.001  39.060  15.669
  665    HD2  HIS  80           HD2      HIS  80   2.868  38.597  18.381
  666    HE1  HIS  80           HE1      HIS  80   6.053  41.093  17.179
  667    HE2  HIS  80           HE2      HIS  80   4.149  40.826  18.838
  668   1H    MET   1          HT1       MET   1  41.367  34.434  11.621
  669   2H    MET   1          HT2       MET   1  42.480  33.174  11.864
  670   3H    MET   1          HT3       MET   1  41.514  33.718  13.152
  671    HA   MET   1           HA       MET   1  40.569  31.693  12.415
  672   1HB   MET   1          HB2       MET   1  39.066  34.080  11.299
  673   2HB   MET   1          HB1       MET   1  38.358  32.491  11.581
  674   1HG   MET   1          HG2       MET   1  39.696  34.133  13.750
  675   2HG   MET   1          HG1       MET   1  37.961  34.160  13.441
  676   1HE   MET   1          HE1       MET   1  36.344  32.618  14.550
  677   2HE   MET   1          HE2       MET   1  37.294  33.379  15.824
  678   3HE   MET   1          HE3       MET   1  36.892  31.667  15.936
  679    H    SER   2           HN       SER   2  41.297  30.288  10.936
  680    HA   SER   2           HA       SER   2  40.631  30.678   8.129
  681   1HB   SER   2          HB2       SER   2  43.528  30.275   8.903
  682   2HB   SER   2          HB1       SER   2  42.874  30.465   7.278
  683    HG   SER   2           HG       SER   2  42.726  32.380   9.371
  684    H    GLU   3           HN       GLU   3  41.131  28.785  10.830
  685    HA   GLU   3           HA       GLU   3  41.863  26.304   9.598
  686   1HB   GLU   3          HB2       GLU   3  40.562  26.921  12.252
  687   2HB   GLU   3          HB1       GLU   3  41.128  25.325  11.765
  688   1HG   GLU   3          HG2       GLU   3  43.416  26.171  11.546
  689   2HG   GLU   3          HG1       GLU   3  42.873  27.798  11.950
  690    H    LEU   4           HN       LEU   4  39.330  25.491  11.457
  691    HA   LEU   4           HA       LEU   4  37.282  24.601  11.035
  692   1HB   LEU   4          HB2       LEU   4  37.104  26.563   8.743
  693   2HB   LEU   4          HB1       LEU   4  35.768  25.815   9.609
  694    HG   LEU   4           HG       LEU   4  37.791  27.720  10.827
  695   1HD1  LEU   4          HD11      LEU   4  36.276  28.806   9.214
  696   2HD1  LEU   4          HD12      LEU   4  35.916  29.316  10.863
  697   3HD1  LEU   4          HD13      LEU   4  34.885  28.130  10.062
  698   1HD2  LEU   4          HD21      LEU   4  35.406  26.214  11.945
  699   2HD2  LEU   4          HD22      LEU   4  35.944  27.727  12.676
  700   3HD2  LEU   4          HD23      LEU   4  37.037  26.350  12.606
  701    H    PHE   5           HN       PHE   5  39.798  24.427   8.886
  702    HA   PHE   5           HA       PHE   5  38.568  22.983   6.736
  703   1HB   PHE   5          HB2       PHE   5  41.434  23.379   7.631
  704   2HB   PHE   5          HB1       PHE   5  41.042  22.262   6.325
  705    HD1  PHE   5           HD1      PHE   5  39.575  23.130   4.414
  706    HD2  PHE   5           HD2      PHE   5  41.665  25.719   7.130
  707    HE1  PHE   5           HE1      PHE   5  39.407  24.984   2.775
  708    HE2  PHE   5           HE2      PHE   5  41.498  27.573   5.487
  709    HZ   PHE   5           HZ       PHE   5  40.367  27.206   3.314
  710    H    SER   6           HN       SER   6  40.002  22.101   9.821
  711    HA   SER   6           HA       SER   6  40.124  19.284   9.278
  712   1HB   SER   6          HB2       SER   6  41.137  19.172  11.366
  713   2HB   SER   6          HB1       SER   6  41.290  20.902  11.119
  714    HG   SER   6           HG       SER   6  39.270  19.521  12.555
  715    H    VAL   7           HN       VAL   7  38.590  17.761   9.552
  716    HA   VAL   7           HA       VAL   7  35.877  18.568  10.030
  717    HB   VAL   7           HB       VAL   7  36.742  15.673  10.042
  718   1HG1  VAL   7          HG11      VAL   7  34.379  17.078   8.753
  719   2HG1  VAL   7          HG12      VAL   7  34.330  16.270  10.320
  720   3HG1  VAL   7          HG13      VAL   7  34.636  15.336   8.856
  721   1HG2  VAL   7          HG21      VAL   7  36.658  15.760   7.523
  722   2HG2  VAL   7          HG22      VAL   7  38.041  16.602   8.220
  723   3HG2  VAL   7          HG23      VAL   7  36.652  17.521   7.639
  724    HA   PRO   8           HA       PRO   8  36.793  15.985  14.122
  725   1HB   PRO   8          HB2       PRO   8  39.469  17.295  14.619
  726   2HB   PRO   8          HB1       PRO   8  38.925  15.659  15.059
  727   1HG   PRO   8          HG2       PRO   8  40.556  15.978  13.010
  728   2HG   PRO   8          HG1       PRO   8  39.181  14.860  12.871
  729   1HD   PRO   8          HD2       PRO   8  39.435  17.664  11.794
  730   2HD   PRO   8          HD1       PRO   8  38.774  16.226  10.993
  731    H    TYR   9           HN       TYR   9  37.742  19.280  13.329
  732    HA   TYR   9           HA       TYR   9  37.363  20.487  15.842
  733   1HB   TYR   9          HB2       TYR   9  38.468  21.624  13.936
  734   2HB   TYR   9          HB1       TYR   9  36.923  21.694  13.088
  735    HD1  TYR   9           HD2      TYR   9  38.674  22.736  16.204
  736    HD2  TYR   9           HD1      TYR   9  35.348  23.449  13.581
  737    HE1  TYR   9           HE2      TYR   9  38.140  24.815  17.447
  738    HE2  TYR   9           HE1      TYR   9  34.814  25.528  14.825
  739    HH   TYR   9           HH       TYR   9  36.194  26.269  17.845
  740    H    PHE  10           HN       PHE  10  35.101  19.919  13.158
  741    HA   PHE  10           HA       PHE  10  32.876  21.234  14.252
  742   1HB   PHE  10          HB2       PHE  10  33.397  19.306  12.075
  743   2HB   PHE  10          HB1       PHE  10  31.807  19.062  12.791
  744    HD1  PHE  10           HD2      PHE  10  33.891  22.133  12.162
  745    HD2  PHE  10           HD1      PHE  10  30.183  20.092  11.414
  746    HE1  PHE  10           HE2      PHE  10  33.053  24.106  10.914
  747    HE2  PHE  10           HE1      PHE  10  29.354  22.066  10.172
  748    HZ   PHE  10           HZ       PHE  10  30.776  24.069   9.920
  749    H    ILE  11           HN       ILE  11  34.125  17.972  14.779
  750    HA   ILE  11           HA       ILE  11  31.891  17.035  16.287
  751    HB   ILE  11           HB       ILE  11  34.754  16.059  16.386
  752   1HG1  ILE  11          HG12      ILE  11  32.464  15.250  14.556
  753   2HG1  ILE  11          HG11      ILE  11  33.876  16.173  14.064
  754   1HG2  ILE  11          HG21      ILE  11  32.112  14.663  16.944
  755   2HG2  ILE  11          HG22      ILE  11  33.251  15.197  18.178
  756   3HG2  ILE  11          HG23      ILE  11  33.713  13.931  17.050
  757   1HD1  ILE  11          HD11      ILE  11  33.825  13.322  15.071
  758   2HD1  ILE  11          HD12      ILE  11  35.308  14.247  14.833
  759   3HD1  ILE  11          HD13      ILE  11  34.266  13.879  13.458
  760    H    GLU  12           HN       GLU  12  35.061  18.346  17.189
  761    HA   GLU  12           HA       GLU  12  34.927  18.110  19.955
  762   1HB   GLU  12          HB2       GLU  12  36.149  20.292  18.245
  763   2HB   GLU  12          HB1       GLU  12  36.390  20.192  19.988
  764   1HG   GLU  12          HG2       GLU  12  37.422  18.008  19.779
  765   2HG   GLU  12          HG1       GLU  12  37.053  17.948  18.061
  766    H    ASN  13           HN       ASN  13  33.179  20.278  17.851
  767    HA   ASN  13           HA       ASN  13  32.395  22.171  19.843
  768   1HB   ASN  13          HB2       ASN  13  32.309  22.681  17.430
  769   2HB   ASN  13          HB1       ASN  13  31.044  21.471  17.226
  770   1HD2  ASN  13          HD21      ASN  13  31.042  23.366  20.182
  771   2HD2  ASN  13          HD22      ASN  13  29.718  24.345  19.772
  772    H    LEU  14           HN       LEU  14  31.172  19.084  18.761
  773    HA   LEU  14           HA       LEU  14  28.607  19.261  20.030
  774   1HB   LEU  14          HB2       LEU  14  30.111  16.741  19.278
  775   2HB   LEU  14          HB1       LEU  14  28.366  16.968  19.410
  776    HG   LEU  14           HG       LEU  14  30.185  18.271  17.372
  777   1HD1  LEU  14          HD11      LEU  14  29.843  15.955  16.835
  778   2HD1  LEU  14          HD12      LEU  14  28.784  16.901  15.787
  779   3HD1  LEU  14          HD13      LEU  14  28.115  16.069  17.188
  780   1HD2  LEU  14          HD21      LEU  14  27.230  18.591  17.956
  781   2HD2  LEU  14          HD22      LEU  14  27.924  18.956  16.380
  782   3HD2  LEU  14          HD23      LEU  14  28.462  19.848  17.788
  783    H    LYS  15           HN       LYS  15  31.757  17.929  20.912
  784    HA   LYS  15           HA       LYS  15  31.024  16.569  23.226
  785   1HB   LYS  15          HB2       LYS  15  33.601  17.973  22.504
  786   2HB   LYS  15          HB1       LYS  15  33.416  16.937  23.919
  787   1HG   LYS  15          HG2       LYS  15  32.745  15.059  22.454
  788   2HG   LYS  15          HG1       LYS  15  32.955  16.093  21.041
  789   1HD   LYS  15          HD2       LYS  15  35.336  16.388  21.599
  790   2HD   LYS  15          HD1       LYS  15  35.131  15.367  23.024
  791   1HE   LYS  15          HE2       LYS  15  34.462  13.481  21.586
  792   2HE   LYS  15          HE1       LYS  15  34.659  14.497  20.158
  793   1HZ   LYS  15          HZ1       LYS  15  37.011  14.870  21.139
  794   2HZ   LYS  15          HZ2       LYS  15  36.678  13.448  20.271
  795   3HZ   LYS  15          HZ3       LYS  15  36.707  13.422  21.969
  796    H    GLN  16           HN       GLN  16  31.591  19.973  22.622
  797    HA   GLN  16           HA       GLN  16  31.741  20.838  25.335
  798   1HB   GLN  16          HB2       GLN  16  32.522  22.200  23.425
  799   2HB   GLN  16          HB1       GLN  16  30.852  22.371  22.883
  800   1HG   GLN  16          HG2       GLN  16  30.242  23.561  24.894
  801   2HG   GLN  16          HG1       GLN  16  31.805  23.222  25.632
  802   1HE2  GLN  16          HE21      GLN  16  33.118  25.033  25.587
  803   2HE2  GLN  16          HE22      GLN  16  33.164  26.177  24.333
  804    H    HIS  17           HN       HIS  17  29.080  20.132  23.176
  805    HA   HIS  17           HA       HIS  17  27.063  21.452  24.718
  806   1HB   HIS  17          HB2       HIS  17  26.831  19.156  22.753
  807   2HB   HIS  17          HB1       HIS  17  25.475  20.068  23.413
  808    HD1  HIS  17           HD1      HIS  17  25.342  20.492  20.615
  809    HD2  HIS  17           HD2      HIS  17  28.201  22.588  22.809
  810    HE1  HIS  17           HE1      HIS  17  25.992  22.498  19.215
  811    HE2  HIS  17           HE2      HIS  17  27.741  23.782  20.533
  812    H    ILE  18           HN       ILE  18  28.014  18.015  24.473
  813    HA   ILE  18           HA       ILE  18  26.283  17.192  26.612
  814    HB   ILE  18           HB       ILE  18  27.338  15.010  26.365
  815   1HG1  ILE  18          HG12      ILE  18  29.396  16.564  24.786
  816   2HG1  ILE  18          HG11      ILE  18  29.670  15.585  26.217
  817   1HG2  ILE  18          HG21      ILE  18  26.732  14.586  24.090
  818   2HG2  ILE  18          HG22      ILE  18  27.182  16.215  23.579
  819   3HG2  ILE  18          HG23      ILE  18  25.753  15.963  24.571
  820   1HD1  ILE  18          HD11      ILE  18  30.436  14.241  24.429
  821   2HD1  ILE  18          HD12      ILE  18  29.054  14.650  23.412
  822   3HD1  ILE  18          HD13      ILE  18  28.841  13.593  24.809
  823    H    GLU  19           HN       GLU  19  29.767  17.816  26.331
  824    HA   GLU  19           HA       GLU  19  30.447  17.083  28.981
  825   1HB   GLU  19          HB2       GLU  19  32.077  17.387  27.117
  826   2HB   GLU  19          HB1       GLU  19  31.824  19.129  27.227
  827   1HG   GLU  19          HG2       GLU  19  32.633  19.138  29.530
  828   2HG   GLU  19          HG1       GLU  19  32.792  17.383  29.507
  829    H    MET  20           HN       MET  20  29.875  20.325  27.573
  830    HA   MET  20           HA       MET  20  29.619  21.437  30.299
  831   1HB   MET  20          HB2       MET  20  29.476  23.033  27.727
  832   2HB   MET  20          HB1       MET  20  29.921  23.581  29.340
  833   1HG   MET  20          HG2       MET  20  31.514  21.727  27.558
  834   2HG   MET  20          HG1       MET  20  31.932  23.381  28.004
  835   1HE   MET  20          HE1       MET  20  34.383  22.486  28.856
  836   2HE   MET  20          HE2       MET  20  33.727  21.035  28.098
  837   3HE   MET  20          HE3       MET  20  34.481  20.930  29.689
  838    H    ASN  21           HN       ASN  21  27.949  23.627  29.165
  839    HA   ASN  21           HA       ASN  21  25.466  22.538  28.299
  840   1HB   ASN  21          HB2       ASN  21  25.502  21.671  30.646
  841   2HB   ASN  21          HB1       ASN  21  25.587  23.335  31.218
  842   1HD2  ASN  21          HD21      ASN  21  23.515  21.123  29.283
  843   2HD2  ASN  21          HD22      ASN  21  22.070  21.951  29.615
  844    H    GLN  22           HN       GLN  22  27.024  24.638  27.424
  845    HA   GLN  22           HA       GLN  22  26.476  27.169  28.452
  846   1HB   GLN  22          HB2       GLN  22  26.891  26.257  25.601
  847   2HB   GLN  22          HB1       GLN  22  26.837  27.955  26.077
  848   1HG   GLN  22          HG2       GLN  22  28.717  27.547  27.646
  849   2HG   GLN  22          HG1       GLN  22  28.791  25.873  27.098
  850   1HE2  GLN  22          HE21      GLN  22  29.631  25.458  24.943
  851   2HE2  GLN  22          HE22      GLN  22  30.426  26.663  24.051
  852    H    SER  23           HN       SER  23  24.635  25.279  26.065
  853    HA   SER  23           HA       SER  23  22.106  26.153  26.914
  854   1HB   SER  23          HB2       SER  23  22.467  28.363  26.150
  855   2HB   SER  23          HB1       SER  23  23.379  27.819  24.745
  856    HG   SER  23           HG       SER  23  20.830  26.823  24.872
  857    H    GLU  24           HN       GLU  24  22.427  23.738  26.466
  858    HA   GLU  24           HA       GLU  24  20.997  23.120  24.035
  859   1HB   GLU  24          HB2       GLU  24  23.536  23.287  23.447
  860   2HB   GLU  24          HB1       GLU  24  23.690  21.758  24.303
  861   1HG   GLU  24          HG2       GLU  24  23.328  21.164  22.004
  862   2HG   GLU  24          HG1       GLU  24  21.779  20.890  22.801
  863    H    ASP  25           HN       ASP  25  22.511  20.349  24.469
  864    HA   ASP  25           HA       ASP  25  21.394  19.429  26.975
  865   1HB   ASP  25          HB2       ASP  25  20.157  18.634  24.323
  866   2HB   ASP  25          HB1       ASP  25  19.908  17.730  25.819
  867    H    LYS  26           HN       LYS  26  21.330  16.796  26.638
  868    HA   LYS  26           HA       LYS  26  24.120  16.137  26.260
  869   1HB   LYS  26          HB2       LYS  26  22.708  15.190  28.089
  870   2HB   LYS  26          HB1       LYS  26  21.800  14.299  26.873
  871   1HG   LYS  26          HG2       LYS  26  23.854  13.128  26.176
  872   2HG   LYS  26          HG1       LYS  26  24.796  14.082  27.320
  873   1HD   LYS  26          HD2       LYS  26  24.319  11.887  28.287
  874   2HD   LYS  26          HD1       LYS  26  23.453  13.128  29.187
  875   1HE   LYS  26          HE2       LYS  26  22.040  11.750  26.902
  876   2HE   LYS  26          HE1       LYS  26  22.190  10.917  28.448
  877   1HZ   LYS  26          HZ1       LYS  26  20.336  12.837  27.778
  878   2HZ   LYS  26          HZ2       LYS  26  21.406  13.613  28.844
  879   3HZ   LYS  26          HZ3       LYS  26  20.621  12.183  29.317
  880    H    ILE  27           HN       ILE  27  22.025  13.622  25.258
  881    HA   ILE  27           HA       ILE  27  23.308  13.335  22.748
  882    HB   ILE  27           HB       ILE  27  22.304  11.477  24.008
  883   1HG1  ILE  27          HG12      ILE  27  20.953  11.788  21.306
  884   2HG1  ILE  27          HG11      ILE  27  22.675  11.449  21.471
  885   1HG2  ILE  27          HG21      ILE  27  20.263  12.798  24.720
  886   2HG2  ILE  27          HG22      ILE  27  19.921  11.175  24.121
  887   3HG2  ILE  27          HG23      ILE  27  19.633  12.573  23.086
  888   1HD1  ILE  27          HD11      ILE  27  22.250   9.382  22.599
  889   2HD1  ILE  27          HD12      ILE  27  21.228   9.403  21.165
  890   3HD1  ILE  27          HD13      ILE  27  20.530   9.736  22.748
  891    H    HIS  28           HN       HIS  28  20.346  14.925  23.762
  892    HA   HIS  28           HA       HIS  28  19.219  15.269  21.172
  893   1HB   HIS  28          HB2       HIS  28  18.848  16.761  23.776
  894   2HB   HIS  28          HB1       HIS  28  17.911  17.119  22.327
  895    HD1  HIS  28           HD1      HIS  28  16.895  14.667  21.241
  896    HD2  HIS  28           HD2      HIS  28  17.499  14.959  25.356
  897    HE1  HIS  28           HE1      HIS  28  15.446  12.883  22.307
  898    HE2  HIS  28           HE2      HIS  28  15.804  13.048  24.815
  899    H    ALA  29           HN       ALA  29  22.138  16.249  22.067
  900    HA   ALA  29           HA       ALA  29  22.148  19.022  21.258
  901   1HB   ALA  29          HB1       ALA  29  23.839  18.214  22.815
  902   2HB   ALA  29          HB2       ALA  29  24.621  18.747  21.330
  903   3HB   ALA  29          HB3       ALA  29  24.397  17.025  21.642
  904    H    MET  30           HN       MET  30  23.030  15.923  19.786
  905    HA   MET  30           HA       MET  30  24.103  16.901  17.391
  906   1HB   MET  30          HB2       MET  30  23.804  14.668  16.534
  907   2HB   MET  30          HB1       MET  30  24.232  14.521  18.237
  908   1HG   MET  30          HG2       MET  30  21.656  14.486  18.661
  909   2HG   MET  30          HG1       MET  30  21.524  14.129  16.943
  910   1HE   MET  30          HE1       MET  30  20.859  10.881  19.089
  911   2HE   MET  30          HE2       MET  30  20.337  11.567  17.553
  912   3HE   MET  30          HE3       MET  30  20.302  12.556  19.008
  913    H    ASN  31           HN       ASN  31  20.762  15.932  18.201
  914    HA   ASN  31           HA       ASN  31  19.603  16.289  15.697
  915   1HB   ASN  31          HB2       ASN  31  18.372  16.963  18.379
  916   2HB   ASN  31          HB1       ASN  31  17.494  16.631  16.887
  917   1HD2  ASN  31          HD21      ASN  31  18.254  14.373  15.858
  918   2HD2  ASN  31          HD22      ASN  31  18.367  13.095  16.969
  919    H    SER  32           HN       SER  32  20.171  18.700  18.256
  920    HA   SER  32           HA       SER  32  18.985  20.871  16.815
  921   1HB   SER  32          HB2       SER  32  20.125  22.277  18.495
  922   2HB   SER  32          HB1       SER  32  19.271  20.930  19.245
  923    HG   SER  32           HG       SER  32  21.144  20.458  20.065
  924    H    TYR  33           HN       TYR  33  22.401  20.064  17.501
  925    HA   TYR  33           HA       TYR  33  23.560  22.033  15.875
  926   1HB   TYR  33          HB2       TYR  33  24.834  20.788  17.568
  927   2HB   TYR  33          HB1       TYR  33  24.619  19.295  16.653
  928    HD1  TYR  33           HD2      TYR  33  25.662  19.023  14.421
  929    HD2  TYR  33           HD1      TYR  33  26.458  22.452  16.877
  930    HE1  TYR  33           HE2      TYR  33  27.635  19.578  13.013
  931    HE2  TYR  33           HE1      TYR  33  28.431  23.002  15.477
  932    HH   TYR  33           HH       TYR  33  28.952  22.143  12.624
  933    H    TYR  34           HN       TYR  34  22.752  18.641  15.177
  934    HA   TYR  34           HA       TYR  34  23.767  18.462  12.582
  935   1HB   TYR  34          HB2       TYR  34  22.936  16.504  13.823
  936   2HB   TYR  34          HB1       TYR  34  21.291  17.136  13.737
  937    HD1  TYR  34           HD2      TYR  34  20.056  17.180  11.631
  938    HD2  TYR  34           HD1      TYR  34  24.029  15.551  11.845
  939    HE1  TYR  34           HE2      TYR  34  19.752  16.146   9.398
  940    HE2  TYR  34           HE1      TYR  34  23.718  14.524   9.604
  941    HH   TYR  34           HH       TYR  34  22.093  15.158   7.489
  942    H    ARG  35           HN       ARG  35  20.509  19.439  13.661
  943    HA   ARG  35           HA       ARG  35  19.579  20.042  11.023
  944   1HB   ARG  35          HB2       ARG  35  18.069  19.470  12.915
  945   2HB   ARG  35          HB1       ARG  35  18.500  20.997  13.686
  946   1HG   ARG  35          HG2       ARG  35  17.594  22.261  11.812
  947   2HG   ARG  35          HG1       ARG  35  17.292  20.774  10.912
  948   1HD   ARG  35          HD2       ARG  35  16.032  21.439  13.583
  949   2HD   ARG  35          HD1       ARG  35  15.249  21.688  12.025
  950    HE   ARG  35           HE       ARG  35  16.074  19.025  12.091
  951   1HH1  ARG  35          HH21      ARG  35  13.981  21.167  13.826
  952   2HH1  ARG  35          HH22      ARG  35  12.868  19.924  14.293
  953   1HH2  ARG  35          HH11      ARG  35  14.620  17.390  12.701
  954   2HH2  ARG  35          HH12      ARG  35  13.230  17.785  13.656
  955    H    SER  36           HN       SER  36  21.409  21.755  13.419
  956    HA   SER  36           HA       SER  36  20.828  24.406  12.527
  957   1HB   SER  36          HB2       SER  36  21.807  23.846  14.767
  958   2HB   SER  36          HB1       SER  36  23.316  23.444  13.954
  959    HG   SER  36           HG       SER  36  23.323  25.601  14.653
  960    H    VAL  37           HN       VAL  37  23.586  22.218  11.962
  961    HA   VAL  37           HA       VAL  37  24.881  23.972  10.115
  962    HB   VAL  37           HB       VAL  37  25.141  21.003  10.666
  963   1HG1  VAL  37          HG11      VAL  37  27.336  21.321   9.280
  964   2HG1  VAL  37          HG12      VAL  37  26.535  22.724   8.600
  965   3HG1  VAL  37          HG13      VAL  37  25.827  21.119   8.402
  966   1HG2  VAL  37          HG21      VAL  37  26.913  23.401  11.267
  967   2HG2  VAL  37          HG22      VAL  37  27.333  21.724  11.618
  968   3HG2  VAL  37          HG23      VAL  37  25.966  22.478  12.437
  969    H    VAL  38           HN       VAL  38  23.072  20.927   9.559
  970    HA   VAL  38           HA       VAL  38  23.073  20.905   6.795
  971    HB   VAL  38           HB       VAL  38  20.867  20.082   8.706
  972   1HG1  VAL  38          HG11      VAL  38  21.207  19.574   5.734
  973   2HG1  VAL  38          HG12      VAL  38  19.816  20.285   6.551
  974   3HG1  VAL  38          HG13      VAL  38  20.177  18.573   6.760
  975   1HG2  VAL  38          HG21      VAL  38  21.836  17.870   8.468
  976   2HG2  VAL  38          HG22      VAL  38  23.124  18.983   8.924
  977   3HG2  VAL  38          HG23      VAL  38  22.966  18.448   7.255
  978    H    SER  39           HN       SER  39  20.670  22.534   8.894
  979    HA   SER  39           HA       SER  39  19.111  23.646   6.854
  980   1HB   SER  39          HB2       SER  39  19.713  24.685   9.633
  981   2HB   SER  39          HB1       SER  39  18.450  25.322   8.585
  982    HG   SER  39           HG       SER  39  18.331  23.238  10.201
  983    H    THR  40           HN       THR  40  22.125  24.746   8.333
  984    HA   THR  40           HA       THR  40  22.149  27.329   7.094
  985    HB   THR  40           HB       THR  40  24.506  25.734   8.123
  986    HG1  THR  40           HG1      THR  40  23.893  27.365   9.937
  987   1HG2  THR  40          HG21      THR  40  25.429  28.008   8.536
  988   2HG2  THR  40          HG22      THR  40  24.028  28.692   7.714
  989   3HG2  THR  40          HG23      THR  40  25.163  27.671   6.826
  990    H    LEU  41           HN       LEU  41  23.864  24.282   6.389
  991    HA   LEU  41           HA       LEU  41  25.325  25.101   4.170
  992   1HB   LEU  41          HB2       LEU  41  24.025  22.427   4.708
  993   2HB   LEU  41          HB1       LEU  41  25.263  22.703   3.489
  994    HG   LEU  41           HG       LEU  41  25.627  23.221   6.458
  995   1HD1  LEU  41          HD11      LEU  41  27.055  21.173   6.361
  996   2HD1  LEU  41          HD12      LEU  41  26.495  20.903   4.712
  997   3HD1  LEU  41          HD13      LEU  41  25.352  20.840   6.054
  998   1HD2  LEU  41          HD21      LEU  41  27.463  23.431   4.055
  999   2HD2  LEU  41          HD22      LEU  41  28.124  23.103   5.660
 1000   3HD2  LEU  41          HD23      LEU  41  27.228  24.582   5.373
 1001    H    VAL  42           HN       VAL  42  21.948  24.118   4.385
 1002    HA   VAL  42           HA       VAL  42  21.512  24.245   1.514
 1003    HB   VAL  42           HB       VAL  42  19.548  24.050   3.807
 1004   1HG1  VAL  42          HG11      VAL  42  18.388  24.910   1.874
 1005   2HG1  VAL  42          HG12      VAL  42  18.026  23.185   1.957
 1006   3HG1  VAL  42          HG13      VAL  42  19.218  23.783   0.801
 1007   1HG2  VAL  42          HG21      VAL  42  20.650  21.941   1.919
 1008   2HG2  VAL  42          HG22      VAL  42  19.504  21.663   3.232
 1009   3HG2  VAL  42          HG23      VAL  42  21.160  22.155   3.590
 1010    H    GLN  43           HN       GLN  43  20.915  26.293   4.326
 1011    HA   GLN  43           HA       GLN  43  20.042  28.490   2.525
 1012   1HB   GLN  43          HB2       GLN  43  18.312  27.684   4.155
 1013   2HB   GLN  43          HB1       GLN  43  19.398  28.150   5.465
 1014   1HG   GLN  43          HG2       GLN  43  19.388  30.475   4.689
 1015   2HG   GLN  43          HG1       GLN  43  18.382  30.031   3.313
 1016   1HE2  GLN  43          HE21      GLN  43  16.205  30.456   3.646
 1017   2HE2  GLN  43          HE22      GLN  43  15.432  30.465   5.157
 1018    H    ASP  44           HN       ASP  44  22.343  28.865   2.197
 1019    HA   ASP  44           HA       ASP  44  23.282  31.044   3.733
 1020   1HB   ASP  44          HB2       ASP  44  23.807  29.202   5.391
 1021   2HB   ASP  44          HB1       ASP  44  24.912  28.526   4.204
 1022    H    GLN  45           HN       GLN  45  25.001  28.276   2.317
 1023    HA   GLN  45           HA       GLN  45  26.559  30.061   0.605
 1024   1HB   GLN  45          HB2       GLN  45  27.655  28.178   1.768
 1025   2HB   GLN  45          HB1       GLN  45  26.616  27.047   0.907
 1026   1HG   GLN  45          HG2       GLN  45  28.788  27.174  -0.200
 1027   2HG   GLN  45          HG1       GLN  45  27.557  27.855  -1.256
 1028   1HE2  GLN  45          HE21      GLN  45  28.828  29.456  -2.358
 1029   2HE2  GLN  45          HE22      GLN  45  29.630  30.718  -1.554
 1030    H    LEU  46           HN       LEU  46  25.069  26.927  -0.177
 1031    HA   LEU  46           HA       LEU  46  23.794  26.233  -1.927
 1032   1HB   LEU  46          HB2       LEU  46  22.625  28.575  -1.208
 1033   2HB   LEU  46          HB1       LEU  46  23.123  29.022  -2.836
 1034    HG   LEU  46           HG       LEU  46  21.451  26.592  -2.114
 1035   1HD1  LEU  46          HD11      LEU  46  20.692  29.225  -3.417
 1036   2HD1  LEU  46          HD12      LEU  46  20.237  28.711  -1.793
 1037   3HD1  LEU  46          HD13      LEU  46  19.611  27.849  -3.199
 1038   1HD2  LEU  46          HD21      LEU  46  22.274  27.775  -4.789
 1039   2HD2  LEU  46          HD22      LEU  46  21.088  26.484  -4.591
 1040   3HD2  LEU  46          HD23      LEU  46  22.771  26.210  -4.140
 1041    H    THR  47           HN       THR  47  26.521  26.429  -2.276
 1042    HA   THR  47           HA       THR  47  27.137  27.760  -4.784
 1043    HB   THR  47           HB       THR  47  28.939  27.601  -3.195
 1044    HG1  THR  47           HG1      THR  47  29.650  25.556  -4.946
 1045   1HG2  THR  47          HG21      THR  47  28.506  24.600  -3.296
 1046   2HG2  THR  47          HG22      THR  47  28.123  25.643  -1.926
 1047   3HG2  THR  47          HG23      THR  47  29.798  25.429  -2.428
 1048    H    LYS  48           HN       LYS  48  26.129  24.614  -3.726
 1049    HA   LYS  48           HA       LYS  48  25.370  23.740  -6.297
 1050   1HB   LYS  48          HB2       LYS  48  27.871  23.599  -6.615
 1051   2HB   LYS  48          HB1       LYS  48  27.914  22.421  -5.316
 1052   1HG   LYS  48          HG2       LYS  48  26.490  20.912  -6.547
 1053   2HG   LYS  48          HG1       LYS  48  26.242  22.112  -7.815
 1054   1HD   LYS  48          HD2       LYS  48  28.675  22.072  -8.296
 1055   2HD   LYS  48          HD1       LYS  48  28.880  20.824  -7.066
 1056   1HE   LYS  48          HE2       LYS  48  27.354  19.342  -8.315
 1057   2HE   LYS  48          HE1       LYS  48  27.154  20.587  -9.545
 1058   1HZ   LYS  48          HZ1       LYS  48  29.239  20.275 -10.347
 1059   2HZ   LYS  48          HZ2       LYS  48  28.959  18.702  -9.770
 1060   3HZ   LYS  48          HZ3       LYS  48  29.879  19.795  -8.851
 1061    H    ASN  49           HN       ASN  49  24.198  21.809  -6.202
 1062    HA   ASN  49           HA       ASN  49  23.242  20.995  -3.670
 1063   1HB   ASN  49          HB2       ASN  49  22.094  19.192  -4.892
 1064   2HB   ASN  49          HB1       ASN  49  21.895  20.743  -5.706
 1065   1HD2  ASN  49          HD21      ASN  49  22.372  17.609  -6.472
 1066   2HD2  ASN  49          HD22      ASN  49  23.357  17.771  -7.844
 1067    H    ALA  50           HN       ALA  50  25.521  19.491  -5.938
 1068    HA   ALA  50           HA       ALA  50  25.962  17.120  -4.493
 1069   1HB   ALA  50          HB1       ALA  50  26.741  17.556  -6.842
 1070   2HB   ALA  50          HB2       ALA  50  27.967  16.846  -5.793
 1071   3HB   ALA  50          HB3       ALA  50  28.024  18.566  -6.168
 1072    H    VAL  51           HN       VAL  51  27.510  20.297  -4.258
 1073    HA   VAL  51           HA       VAL  51  29.610  19.595  -2.515
 1074    HB   VAL  51           HB       VAL  51  28.055  22.150  -2.964
 1075   1HG1  VAL  51          HG11      VAL  51  28.644  22.467  -0.684
 1076   2HG1  VAL  51          HG12      VAL  51  29.949  23.252  -1.566
 1077   3HG1  VAL  51          HG13      VAL  51  30.195  21.649  -0.883
 1078   1HG2  VAL  51          HG21      VAL  51  29.810  21.194  -4.608
 1079   2HG2  VAL  51          HG22      VAL  51  31.009  21.605  -3.384
 1080   3HG2  VAL  51          HG23      VAL  51  30.023  22.875  -4.109
 1081    H    VAL  52           HN       VAL  52  26.520  21.136  -1.547
 1082    HA   VAL  52           HA       VAL  52  26.839  20.782   1.191
 1083    HB   VAL  52           HB       VAL  52  24.315  20.919   1.296
 1084   1HG1  VAL  52          HG11      VAL  52  25.634  22.869  -0.627
 1085   2HG1  VAL  52          HG12      VAL  52  25.741  22.957   1.132
 1086   3HG1  VAL  52          HG13      VAL  52  24.184  23.162   0.333
 1087   1HG2  VAL  52          HG21      VAL  52  23.120  21.241  -0.830
 1088   2HG2  VAL  52          HG22      VAL  52  23.874  19.647  -0.787
 1089   3HG2  VAL  52          HG23      VAL  52  24.613  20.951  -1.718
 1090    H    LEU  53           HN       LEU  53  25.713  18.514  -1.247
 1091    HA   LEU  53           HA       LEU  53  24.556  16.588   0.411
 1092   1HB   LEU  53          HB2       LEU  53  24.830  16.756  -2.237
 1093   2HB   LEU  53          HB1       LEU  53  26.214  15.716  -1.954
 1094    HG   LEU  53           HG       LEU  53  24.308  14.316  -2.438
 1095   1HD1  LEU  53          HD11      LEU  53  24.666  14.202   0.562
 1096   2HD1  LEU  53          HD12      LEU  53  25.921  13.678  -0.565
 1097   3HD1  LEU  53          HD13      LEU  53  24.351  12.868  -0.544
 1098   1HD2  LEU  53          HD21      LEU  53  22.690  15.107  -0.054
 1099   2HD2  LEU  53          HD22      LEU  53  22.173  14.633  -1.672
 1100   3HD2  LEU  53          HD23      LEU  53  22.707  16.281  -1.370
 1101    H    LYS  54           HN       LYS  54  27.899  16.505  -0.881
 1102    HA   LYS  54           HA       LYS  54  28.772  14.370   0.721
 1103   1HB   LYS  54          HB2       LYS  54  31.103  15.315   0.289
 1104   2HB   LYS  54          HB1       LYS  54  30.128  15.020  -1.150
 1105   1HG   LYS  54          HG2       LYS  54  29.496  17.353  -1.250
 1106   2HG   LYS  54          HG1       LYS  54  30.337  17.693   0.247
 1107   1HD   LYS  54          HD2       LYS  54  31.622  18.478  -1.630
 1108   2HD   LYS  54          HD1       LYS  54  32.474  17.139  -0.866
 1109   1HE   LYS  54          HE2       LYS  54  31.868  15.640  -2.629
 1110   2HE   LYS  54          HE1       LYS  54  30.656  16.758  -3.256
 1111   1HZ   LYS  54          HZ1       LYS  54  32.201  18.004  -4.286
 1112   2HZ   LYS  54          HZ2       LYS  54  33.109  16.569  -4.244
 1113   3HZ   LYS  54          HZ3       LYS  54  33.370  17.778  -3.079
 1114    H    ARG  55           HN       ARG  55  28.601  17.829   1.364
 1115    HA   ARG  55           HA       ARG  55  30.119  17.859   3.721
 1116   1HB   ARG  55          HB2       ARG  55  29.384  19.881   2.384
 1117   2HB   ARG  55          HB1       ARG  55  27.777  19.660   3.068
 1118   1HG   ARG  55          HG2       ARG  55  28.986  21.317   4.376
 1119   2HG   ARG  55          HG1       ARG  55  28.733  19.874   5.351
 1120   1HD   ARG  55          HD2       ARG  55  31.001  19.324   5.355
 1121   2HD   ARG  55          HD1       ARG  55  31.299  20.084   3.794
 1122    HE   ARG  55           HE       ARG  55  31.552  21.322   6.355
 1123   1HH1  ARG  55          HH21      ARG  55  30.569  21.853   3.079
 1124   2HH1  ARG  55          HH22      ARG  55  30.959  23.540   3.092
 1125   1HH2  ARG  55          HH11      ARG  55  32.075  23.532   6.374
 1126   2HH2  ARG  55          HH12      ARG  55  31.811  24.490   4.956
 1127    H    ILE  56           HN       ILE  56  26.741  17.121   3.080
 1128    HA   ILE  56           HA       ILE  56  25.929  17.045   5.831
 1129    HB   ILE  56           HB       ILE  56  24.720  15.921   3.292
 1130   1HG1  ILE  56          HG12      ILE  56  23.773  18.192   5.060
 1131   2HG1  ILE  56          HG11      ILE  56  24.835  18.444   3.697
 1132   1HG2  ILE  56          HG21      ILE  56  22.617  15.719   4.764
 1133   2HG2  ILE  56          HG22      ILE  56  23.705  15.847   6.147
 1134   3HG2  ILE  56          HG23      ILE  56  23.863  14.503   5.016
 1135   1HD1  ILE  56          HD11      ILE  56  22.133  17.113   3.543
 1136   2HD1  ILE  56          HD12      ILE  56  23.198  17.470   2.187
 1137   3HD1  ILE  56          HD13      ILE  56  22.459  18.787   3.095
 1138    H    GLN  57           HN       GLN  57  26.880  14.561   3.464
 1139    HA   GLN  57           HA       GLN  57  26.465  12.292   5.014
 1140   1HB   GLN  57          HB2       GLN  57  28.590  12.859   2.926
 1141   2HB   GLN  57          HB1       GLN  57  28.241  11.257   3.579
 1142   1HG   GLN  57          HG2       GLN  57  25.939  11.395   2.778
 1143   2HG   GLN  57          HG1       GLN  57  26.216  13.035   2.195
 1144   1HE2  GLN  57          HE21      GLN  57  25.557  10.469   0.664
 1145   2HE2  GLN  57          HE22      GLN  57  26.785  10.351  -0.502
 1146    H    HIS  58           HN       HIS  58  28.915  14.743   5.223
 1147    HA   HIS  58           HA       HIS  58  30.826  13.230   6.713
 1148   1HB   HIS  58          HB2       HIS  58  30.401  16.226   6.563
 1149   2HB   HIS  58          HB1       HIS  58  31.798  15.430   7.277
 1150    HD1  HIS  58           HD1      HIS  58  32.612  17.146   5.024
 1151    HD2  HIS  58           HD2      HIS  58  31.181  13.289   4.348
 1152    HE1  HIS  58           HE1      HIS  58  33.467  16.454   2.742
 1153    HE2  HIS  58           HE2      HIS  58  32.607  14.103   2.318
 1154    H    LEU  59           HN       LEU  59  28.217  15.470   7.607
 1155    HA   LEU  59           HA       LEU  59  28.667  15.573  10.351
 1156   1HB   LEU  59          HB2       LEU  59  26.507  16.229   8.560
 1157   2HB   LEU  59          HB1       LEU  59  25.816  15.459   9.975
 1158    HG   LEU  59           HG       LEU  59  25.944  17.905  10.238
 1159   1HD1  LEU  59          HD11      LEU  59  26.734  15.986  12.129
 1160   2HD1  LEU  59          HD12      LEU  59  26.282  17.657  12.451
 1161   3HD1  LEU  59          HD13      LEU  59  27.979  17.232  12.249
 1162   1HD2  LEU  59          HD21      LEU  59  28.302  17.787   8.850
 1163   2HD2  LEU  59          HD22      LEU  59  28.909  17.941  10.502
 1164   3HD2  LEU  59          HD23      LEU  59  27.808  19.144   9.850
 1165    H    ASP  60           HN       ASP  60  27.645  12.896   8.463
 1166    HA   ASP  60           HA       ASP  60  26.218  11.426  10.388
 1167   1HB   ASP  60          HB2       ASP  60  28.028  10.382   8.191
 1168   2HB   ASP  60          HB1       ASP  60  26.867   9.415   9.099
 1169    H    GLU  61           HN       GLU  61  29.713  11.554   9.702
 1170    HA   GLU  61           HA       GLU  61  30.496   9.634  11.626
 1171   1HB   GLU  61          HB2       GLU  61  32.710  10.272  11.120
 1172   2HB   GLU  61          HB1       GLU  61  31.839  10.704   9.653
 1173   1HG   GLU  61          HG2       GLU  61  31.606  13.065  10.702
 1174   2HG   GLU  61          HG1       GLU  61  32.821  12.541  11.853
 1175    H    ALA  62           HN       ALA  62  29.965  13.112  11.812
 1176    HA   ALA  62           HA       ALA  62  31.009  13.415  14.461
 1177   1HB   ALA  62          HB1       ALA  62  30.788  15.240  12.743
 1178   2HB   ALA  62          HB2       ALA  62  30.131  15.645  14.325
 1179   3HB   ALA  62          HB3       ALA  62  29.046  15.200  13.008
 1180    H    TYR  63           HN       TYR  63  27.673  13.387  13.166
 1181    HA   TYR  63           HA       TYR  63  26.259  13.604  15.508
 1182   1HB   TYR  63          HB2       TYR  63  24.712  13.557  13.791
 1183   2HB   TYR  63          HB1       TYR  63  25.742  12.535  12.795
 1184    HD1  TYR  63           HD1      TYR  63  25.739  10.091  13.054
 1185    HD2  TYR  63           HD2      TYR  63  22.996  12.566  15.245
 1186    HE1  TYR  63           HE1      TYR  63  24.402   8.088  13.642
 1187    HE2  TYR  63           HE2      TYR  63  21.658  10.562  15.831
 1188    HH   TYR  63           HH       TYR  63  22.047   7.575  14.311
 1189    H    ASN  64           HN       ASN  64  27.834  10.751  14.133
 1190    HA   ASN  64           HA       ASN  64  26.769   8.809  15.906
 1191   1HB   ASN  64          HB2       ASN  64  27.837   8.216  13.776
 1192   2HB   ASN  64          HB1       ASN  64  29.382   8.816  14.374
 1193   1HD2  ASN  64          HD21      ASN  64  26.886   6.318  14.987
 1194   2HD2  ASN  64          HD22      ASN  64  27.938   5.239  15.765
 1195    H    LYS  65           HN       LYS  65  29.594  10.919  16.044
 1196    HA   LYS  65           HA       LYS  65  30.944   9.760  18.188
 1197   1HB   LYS  65          HB2       LYS  65  31.638  11.765  16.716
 1198   2HB   LYS  65          HB1       LYS  65  30.683  12.756  17.816
 1199   1HG   LYS  65          HG2       LYS  65  32.746  12.884  18.917
 1200   2HG   LYS  65          HG1       LYS  65  32.118  11.435  19.685
 1201   1HD   LYS  65          HD2       LYS  65  33.320  10.044  18.004
 1202   2HD   LYS  65          HD1       LYS  65  33.985  11.514  17.290
 1203   1HE   LYS  65          HE2       LYS  65  35.609  10.552  18.848
 1204   2HE   LYS  65          HE1       LYS  65  35.006  12.084  19.485
 1205   1HZ   LYS  65          HZ1       LYS  65  34.846   9.523  20.636
 1206   2HZ   LYS  65          HZ2       LYS  65  33.271  10.088  20.338
 1207   3HZ   LYS  65          HZ3       LYS  65  34.343  11.008  21.283
 1208    H    VAL  66           HN       VAL  66  28.207  12.004  18.171
 1209    HA   VAL  66           HA       VAL  66  28.135  12.474  20.958
 1210    HB   VAL  66           HB       VAL  66  25.940  12.668  18.889
 1211   1HG1  VAL  66          HG11      VAL  66  26.157  13.689  21.743
 1212   2HG1  VAL  66          HG12      VAL  66  24.930  12.602  21.093
 1213   3HG1  VAL  66          HG13      VAL  66  24.966  14.291  20.589
 1214   1HG2  VAL  66          HG21      VAL  66  27.969  14.058  18.478
 1215   2HG2  VAL  66          HG22      VAL  66  27.774  14.764  20.082
 1216   3HG2  VAL  66          HG23      VAL  66  26.548  15.039  18.845
 1217    H    LYS  67           HN       LYS  67  26.636  10.103  18.872
 1218    HA   LYS  67           HA       LYS  67  24.868   8.953  20.730
 1219   1HB   LYS  67          HB2       LYS  67  26.267   7.781  18.345
 1220   2HB   LYS  67          HB1       LYS  67  24.831   7.122  19.112
 1221   1HG   LYS  67          HG2       LYS  67  24.773  10.021  18.234
 1222   2HG   LYS  67          HG1       LYS  67  24.635   8.791  17.032
 1223   1HD   LYS  67          HD2       LYS  67  22.858   9.009  19.478
 1224   2HD   LYS  67          HD1       LYS  67  22.443   9.615  17.884
 1225   1HE   LYS  67          HE2       LYS  67  23.019   7.029  17.212
 1226   2HE   LYS  67          HE1       LYS  67  22.432   6.796  18.861
 1227   1HZ   LYS  67          HZ1       LYS  67  20.787   6.882  16.839
 1228   2HZ   LYS  67          HZ2       LYS  67  20.911   8.561  17.071
 1229   3HZ   LYS  67          HZ3       LYS  67  20.361   7.566  18.333
 1230    H    ARG  68           HN       ARG  68  28.138   8.078  19.690
 1231    HA   ARG  68           HA       ARG  68  28.345   5.970  21.695
 1232   1HB   ARG  68          HB2       ARG  68  29.990   7.009  19.406
 1233   2HB   ARG  68          HB1       ARG  68  30.790   6.040  20.630
 1234   1HG   ARG  68          HG2       ARG  68  28.228   5.048  19.347
 1235   2HG   ARG  68          HG1       ARG  68  29.763   4.845  18.512
 1236   1HD   ARG  68          HD2       ARG  68  29.259   3.856  21.339
 1237   2HD   ARG  68          HD1       ARG  68  29.087   2.863  19.898
 1238    HE   ARG  68           HE       ARG  68  31.624   4.027  19.801
 1239   1HH1  ARG  68          HH21      ARG  68  29.803   1.847  21.777
 1240   2HH1  ARG  68          HH22      ARG  68  31.185   0.925  22.270
 1241   1HH2  ARG  68          HH11      ARG  68  33.436   2.820  20.435
 1242   2HH2  ARG  68          HH12      ARG  68  33.241   1.476  21.511
 1243    H    GLY  69           HN       GLY  69  28.860   9.314  21.547
 1244   1HA   GLY  69          HA2       GLY  69  31.011   9.382  23.560
 1245   2HA   GLY  69          HA1       GLY  69  30.306  10.760  22.722
 1246    H    GLU  70           HN       GLU  70  27.570  10.126  23.215
 1247    HA   GLU  70           HA       GLU  70  27.234  11.335  25.762
 1248   1HB   GLU  70          HB2       GLU  70  24.858  11.116  25.368
 1249   2HB   GLU  70          HB1       GLU  70  25.640  11.596  23.865
 1250   1HG   GLU  70          HG2       GLU  70  24.562   9.815  22.911
 1251   2HG   GLU  70          HG1       GLU  70  25.763   8.824  23.714
 1252    H    SER  71           HN       SER  71  25.121  10.006  26.926
 1253    HA   SER  71           HA       SER  71  26.256   8.282  28.722
 1254   1HB   SER  71          HB2       SER  71  24.014   9.096  29.059
 1255   2HB   SER  71          HB1       SER  71  23.438   8.242  27.630
 1256    HG   SER  71           HG       SER  71  23.554   6.376  28.679
 1257    H    LYS  72           HN       LYS  72  27.486   6.553  28.278
 1258    HA   LYS  72           HA       LYS  72  26.435   4.158  27.283
 1259   1HB   LYS  72          HB2       LYS  72  27.065   5.954  25.147
 1260   2HB   LYS  72          HB1       LYS  72  28.356   4.764  25.141
 1261   1HG   LYS  72          HG2       LYS  72  26.735   2.944  25.008
 1262   2HG   LYS  72          HG1       LYS  72  25.399   4.088  25.142
 1263   1HD   LYS  72          HD2       LYS  72  26.083   5.153  23.050
 1264   2HD   LYS  72          HD1       LYS  72  27.444   4.043  22.909
 1265   1HE   LYS  72          HE2       LYS  72  25.888   2.141  22.815
 1266   2HE   LYS  72          HE1       LYS  72  24.522   3.246  22.973
 1267   1HZ   LYS  72          HZ1       LYS  72  25.306   4.355  20.928
 1268   2HZ   LYS  72          HZ2       LYS  72  24.841   2.740  20.677
 1269   3HZ   LYS  72          HZ3       LYS  72  26.488   3.151  20.753
 1270    H    LEU  73           HN       LEU  73  28.496   5.717  29.036
 1271    HA   LEU  73           HA       LEU  73  30.170   3.510  29.569
 1272   1HB   LEU  73          HB2       LEU  73  31.236   4.216  27.412
 1273   2HB   LEU  73          HB1       LEU  73  31.552   5.791  28.112
 1274    HG   LEU  73           HG       LEU  73  32.892   4.638  29.918
 1275   1HD1  LEU  73          HD11      LEU  73  32.216   2.411  30.034
 1276   2HD1  LEU  73          HD12      LEU  73  33.691   2.245  29.091
 1277   3HD1  LEU  73          HD13      LEU  73  32.123   2.217  28.284
 1278   1HD2  LEU  73          HD21      LEU  73  33.944   5.672  27.917
 1279   2HD2  LEU  73          HD22      LEU  73  33.808   4.134  27.064
 1280   3HD2  LEU  73          HD23      LEU  73  34.853   4.267  28.477
 1281    H    GLU  74           HN       GLU  74  31.691   6.602  29.632
 1282    HA   GLU  74           HA       GLU  74  32.534   7.730  31.498
 1283   1HB   GLU  74          HB2       GLU  74  30.748   8.982  32.686
 1284   2HB   GLU  74          HB1       GLU  74  30.515   9.002  30.943
 1285   1HG   GLU  74          HG2       GLU  74  28.799   7.299  31.089
 1286   2HG   GLU  74          HG1       GLU  74  29.111   7.056  32.804
 1287    H    HIS  75           HN       HIS  75  32.101   4.789  31.891
 1288    HA   HIS  75           HA       HIS  75  31.059   4.029  34.313
 1289   1HB   HIS  75          HB2       HIS  75  33.015   2.312  34.305
 1290   2HB   HIS  75          HB1       HIS  75  31.915   2.305  32.927
 1291    HD1  HIS  75           HD1      HIS  75  34.019   5.241  32.742
 1292    HD2  HIS  75           HD2      HIS  75  34.442   1.240  31.649
 1293    HE1  HIS  75           HE1      HIS  75  35.941   5.147  31.095
 1294    HE2  HIS  75           HE2      HIS  75  36.212   2.714  30.420
 1295    H    HIS  76           HN       HIS  76  34.575   4.107  34.223
 1296    HA   HIS  76           HA       HIS  76  34.590   5.372  36.892
 1297   1HB   HIS  76          HB2       HIS  76  36.723   3.885  35.332
 1298   2HB   HIS  76          HB1       HIS  76  36.938   4.566  36.946
 1299    HD1  HIS  76           HD1      HIS  76  35.144   1.826  35.100
 1300    HD2  HIS  76           HD2      HIS  76  35.615   3.144  39.027
 1301    HE1  HIS  76           HE1      HIS  76  34.211  -0.001  36.586
 1302    HE2  HIS  76           HE2      HIS  76  34.492   0.787  38.983
 1303    H    HIS  77           HN       HIS  77  36.186   7.004  37.348
 1304    HA   HIS  77           HA       HIS  77  37.512   8.405  35.201
 1305   1HB   HIS  77          HB2       HIS  77  35.147   9.162  34.915
 1306   2HB   HIS  77          HB1       HIS  77  35.186   9.800  36.558
 1307    HD1  HIS  77           HD1      HIS  77  36.173  12.095  36.863
 1308    HD2  HIS  77           HD2      HIS  77  37.139  10.464  33.150
 1309    HE1  HIS  77           HE1      HIS  77  37.365  13.917  35.568
 1310    HE2  HIS  77           HE2      HIS  77  37.961  12.937  33.302
 1311    H    HIS  78           HN       HIS  78  39.158   9.605  35.956
 1312    HA   HIS  78           HA       HIS  78  39.852   9.395  38.722
 1313   1HB   HIS  78          HB2       HIS  78  41.084  10.985  36.455
 1314   2HB   HIS  78          HB1       HIS  78  41.801  10.796  38.055
 1315    HD1  HIS  78           HD1      HIS  78  41.283   9.026  34.829
 1316    HD2  HIS  78           HD2      HIS  78  42.636   8.081  38.657
 1317    HE1  HIS  78           HE1      HIS  78  42.418   6.769  34.651
 1318    HE2  HIS  78           HE2      HIS  78  43.248   6.179  36.977
 1319    H    HIS  79           HN       HIS  79  40.050  11.039  40.250
 1320    HA   HIS  79           HA       HIS  79  37.965  12.914  40.362
 1321   1HB   HIS  79          HB2       HIS  79  40.596  12.818  41.860
 1322   2HB   HIS  79          HB1       HIS  79  39.254  13.883  42.278
 1323    HD1  HIS  79           HD1      HIS  79  40.325  10.294  42.351
 1324    HD2  HIS  79           HD2      HIS  79  36.980  12.550  43.400
 1325    HE1  HIS  79           HE1      HIS  79  38.844   8.777  43.736
 1326    HE2  HIS  79           HE2      HIS  79  36.800  10.138  44.384
 1327    H    HIS  80           HN       HIS  80  41.373  13.289  39.447
 1328    HA   HIS  80           HA       HIS  80  41.174  16.128  39.004
 1329   1HB   HIS  80          HB2       HIS  80  43.417  15.880  38.008
 1330   2HB   HIS  80          HB1       HIS  80  43.314  15.089  39.581
 1331    HD1  HIS  80           HD1      HIS  80  43.124  14.229  35.878
 1332    HD2  HIS  80           HD2      HIS  80  43.910  12.373  39.527
 1333    HE1  HIS  80           HE1      HIS  80  43.884  11.874  35.335
 1334    HE2  HIS  80           HE2      HIS  80  44.367  10.730  37.550
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1  -3.779   9.633  -8.550
    2   2H    MET   1          HT2       MET   1  -3.439   8.841  -7.086
    3   3H    MET   1          HT3       MET   1  -4.926   9.637  -7.300
    4    HA   MET   1           HA       MET   1  -5.758   7.670  -7.879
    5   1HB   MET   1          HB2       MET   1  -3.946   8.200 -10.253
    6   2HB   MET   1          HB1       MET   1  -5.234   6.996 -10.240
    7   1HG   MET   1          HG2       MET   1  -6.876   8.789  -9.720
    8   2HG   MET   1          HG1       MET   1  -5.577   9.976  -9.800
    9   1HE   MET   1          HE1       MET   1  -8.321   8.226 -11.656
   10   2HE   MET   1          HE2       MET   1  -7.105   6.954 -11.728
   11   3HE   MET   1          HE3       MET   1  -7.636   7.739 -13.212
   12    H    SER   2           HN       SER   2  -2.337   7.507  -8.896
   13    HA   SER   2           HA       SER   2  -2.134   4.699  -8.247
   14   1HB   SER   2          HB2       SER   2   0.008   4.806  -9.192
   15   2HB   SER   2          HB1       SER   2  -0.823   6.106 -10.043
   16    HG   SER   2           HG       SER   2   0.931   6.276  -7.823
   17    H    GLU   3           HN       GLU   3  -0.002   4.142  -6.930
   18    HA   GLU   3           HA       GLU   3  -0.533   4.912  -4.229
   19   1HB   GLU   3          HB2       GLU   3   1.745   3.356  -5.472
   20   2HB   GLU   3          HB1       GLU   3   1.518   3.557  -3.734
   21   1HG   GLU   3          HG2       GLU   3  -0.683   2.484  -3.874
   22   2HG   GLU   3          HG1       GLU   3  -0.509   2.320  -5.620
   23    H    LEU   4           HN       LEU   4   0.705   6.135  -2.825
   24    HA   LEU   4           HA       LEU   4   1.953   7.980  -2.220
   25   1HB   LEU   4          HB2       LEU   4   3.836   6.947  -4.349
   26   2HB   LEU   4          HB1       LEU   4   4.254   7.969  -2.976
   27    HG   LEU   4           HG       LEU   4   3.177   5.137  -2.803
   28   1HD1  LEU   4          HD11      LEU   4   5.952   6.272  -2.359
   29   2HD1  LEU   4          HD12      LEU   4   5.456   5.187  -3.659
   30   3HD1  LEU   4          HD13      LEU   4   5.472   4.615  -1.990
   31   1HD2  LEU   4          HD21      LEU   4   4.002   5.453  -0.351
   32   2HD2  LEU   4          HD22      LEU   4   2.480   6.206  -0.798
   33   3HD2  LEU   4          HD23      LEU   4   3.945   7.184  -0.694
   34    H    PHE   5           HN       PHE   5   0.251   7.904  -4.880
   35    HA   PHE   5           HA       PHE   5   1.318   9.848  -6.613
   36   1HB   PHE   5          HB2       PHE   5  -0.583   8.404  -7.215
   37   2HB   PHE   5          HB1       PHE   5  -1.589   9.224  -6.020
   38    HD1  PHE   5           HD1      PHE   5   0.193   9.569  -9.238
   39    HD2  PHE   5           HD2      PHE   5  -2.436  11.484  -6.432
   40    HE1  PHE   5           HE1      PHE   5  -0.326  11.318 -10.918
   41    HE2  PHE   5           HE2      PHE   5  -2.955  13.233  -8.112
   42    HZ   PHE   5           HZ       PHE   5  -1.900  13.150 -10.356
   43    H    SER   6           HN       SER   6  -0.921  10.153  -3.868
   44    HA   SER   6           HA       SER   6  -0.801  13.082  -4.020
   45   1HB   SER   6          HB2       SER   6  -2.295  11.451  -1.945
   46   2HB   SER   6          HB1       SER   6  -2.657  13.066  -2.548
   47    HG   SER   6           HG       SER   6  -3.340  10.630  -3.546
   48    H    VAL   7           HN       VAL   7   0.527  14.269  -2.811
   49    HA   VAL   7           HA       VAL   7   2.505  13.154  -1.170
   50    HB   VAL   7           HB       VAL   7   1.667  16.009  -0.669
   51   1HG1  VAL   7          HG11      VAL   7   4.008  16.421  -0.699
   52   2HG1  VAL   7          HG12      VAL   7   4.341  14.806  -1.322
   53   3HG1  VAL   7          HG13      VAL   7   3.699  15.012   0.312
   54   1HG2  VAL   7          HG21      VAL   7   2.838  16.651  -2.840
   55   2HG2  VAL   7          HG22      VAL   7   1.231  15.957  -3.028
   56   3HG2  VAL   7          HG23      VAL   7   2.657  14.966  -3.335
   57    HA   PRO   8           HA       PRO   8  -0.506  14.825   2.476
   58   1HB   PRO   8          HB2       PRO   8  -2.842  13.431   1.146
   59   2HB   PRO   8          HB1       PRO   8  -2.855  14.799   2.282
   60   1HG   PRO   8          HG2       PRO   8  -3.163  15.178  -0.351
   61   2HG   PRO   8          HG1       PRO   8  -2.266  16.336   0.649
   62   1HD   PRO   8          HD2       PRO   8  -1.237  14.428  -1.357
   63   2HD   PRO   8          HD1       PRO   8  -0.507  15.912  -0.769
   64    H    TYR   9           HN       TYR   9  -0.561  11.854   0.578
   65    HA   TYR   9           HA       TYR   9  -1.296  10.021   2.572
   66   1HB   TYR   9          HB2       TYR   9  -1.176   9.371   0.217
   67   2HB   TYR   9          HB1       TYR   9   0.562   9.665   0.200
   68    HD1  TYR   9           HD1      TYR   9  -2.122   7.475   1.501
   69    HD2  TYR   9           HD2      TYR   9   2.132   8.074   1.216
   70    HE1  TYR   9           HE1      TYR   9  -1.740   5.165   2.321
   71    HE2  TYR   9           HE2      TYR   9   2.504   5.765   2.033
   72    HH   TYR   9           HH       TYR   9   1.560   3.920   2.839
   73    H    PHE  10           HN       PHE  10   1.934  11.158   1.572
   74    HA   PHE  10           HA       PHE  10   3.365   9.605   3.441
   75   1HB   PHE  10          HB2       PHE  10   4.007  11.483   1.394
   76   2HB   PHE  10          HB1       PHE  10   4.727  12.168   2.850
   77    HD1  PHE  10           HD1      PHE  10   4.686   9.270   0.551
   78    HD2  PHE  10           HD2      PHE  10   6.552  11.006   4.010
   79    HE1  PHE  10           HE1      PHE  10   6.534   7.624   0.382
   80    HE2  PHE  10           HE2      PHE  10   8.399   9.360   3.840
   81    HZ   PHE  10           HZ       PHE  10   8.382   7.669   2.028
   82    H    ILE  11           HN       ILE  11   2.187  12.956   3.589
   83    HA   ILE  11           HA       ILE  11   3.235  13.559   6.118
   84    HB   ILE  11           HB       ILE  11   0.764  14.626   4.745
   85   1HG1  ILE  11          HG12      ILE  11   3.650  15.575   4.884
   86   2HG1  ILE  11          HG11      ILE  11   2.830  14.937   3.471
   87   1HG2  ILE  11          HG21      ILE  11   0.708  15.079   7.190
   88   2HG2  ILE  11          HG22      ILE  11   0.992  16.545   6.287
   89   3HG2  ILE  11          HG23      ILE  11   2.336  15.750   7.097
   90   1HD1  ILE  11          HD11      ILE  11   2.780  17.291   3.199
   91   2HD1  ILE  11          HD12      ILE  11   2.321  17.554   4.880
   92   3HD1  ILE  11          HD13      ILE  11   1.158  16.864   3.744
   93    H    GLU  12           HN       GLU  12   0.065  12.301   5.169
   94    HA   GLU  12           HA       GLU  12  -1.251  12.262   7.571
   95   1HB   GLU  12          HB2       GLU  12  -2.095  11.455   5.319
   96   2HB   GLU  12          HB1       GLU  12  -1.261   9.932   5.627
   97   1HG   GLU  12          HG2       GLU  12  -2.552   9.660   7.715
   98   2HG   GLU  12          HG1       GLU  12  -3.391  11.171   7.375
   99    H    ASN  13           HN       ASN  13   1.357  10.118   6.529
  100    HA   ASN  13           HA       ASN  13   1.153   8.151   8.535
  101   1HB   ASN  13          HB2       ASN  13   3.679   9.206   7.249
  102   2HB   ASN  13          HB1       ASN  13   3.469   7.642   8.029
  103   1HD2  ASN  13          HD21      ASN  13   4.244   7.904   5.250
  104   2HD2  ASN  13          HD22      ASN  13   2.982   7.277   4.304
  105    H    LEU  14           HN       LEU  14   2.634  11.354   8.512
  106    HA   LEU  14           HA       LEU  14   3.875  11.061  11.102
  107   1HB   LEU  14          HB2       LEU  14   3.364  13.501   9.374
  108   2HB   LEU  14          HB1       LEU  14   4.224  13.537  10.910
  109    HG   LEU  14           HG       LEU  14   5.666  11.551   9.693
  110   1HD1  LEU  14          HD11      LEU  14   5.879  11.790   7.379
  111   2HD1  LEU  14          HD12      LEU  14   5.120  13.366   7.360
  112   3HD1  LEU  14          HD13      LEU  14   4.143  11.923   7.604
  113   1HD2  LEU  14          HD21      LEU  14   6.058  14.524   9.262
  114   2HD2  LEU  14          HD22      LEU  14   7.295  13.291   9.052
  115   3HD2  LEU  14          HD23      LEU  14   6.612  13.585  10.645
  116    H    LYS  15           HN       LYS  15   0.906  12.522   9.850
  117    HA   LYS  15           HA       LYS  15   0.117  13.784  12.232
  118   1HB   LYS  15          HB2       LYS  15  -1.515  12.716   9.921
  119   2HB   LYS  15          HB1       LYS  15  -2.177  13.690  11.235
  120   1HG   LYS  15          HG2       LYS  15  -0.634  15.524  10.689
  121   2HG   LYS  15          HG1       LYS  15   0.105  14.538   9.434
  122   1HD   LYS  15          HD2       LYS  15  -1.421  15.985   8.295
  123   2HD   LYS  15          HD1       LYS  15  -2.199  14.405   8.331
  124   1HE   LYS  15          HE2       LYS  15  -3.668  15.081  10.114
  125   2HE   LYS  15          HE1       LYS  15  -2.747  16.556  10.406
  126   1HZ   LYS  15          HZ1       LYS  15  -4.467  17.323   9.133
  127   2HZ   LYS  15          HZ2       LYS  15  -4.581  15.904   8.207
  128   3HZ   LYS  15          HZ3       LYS  15  -3.317  17.005   7.928
  129    H    GLN  16           HN       GLN  16  -0.262  10.501  11.043
  130    HA   GLN  16           HA       GLN  16  -2.176   9.586  12.889
  131   1HB   GLN  16          HB2       GLN  16  -1.500   8.321  10.890
  132   2HB   GLN  16          HB1       GLN  16   0.091   8.053  11.605
  133   1HG   GLN  16          HG2       GLN  16  -0.851   6.763  13.413
  134   2HG   GLN  16          HG1       GLN  16  -2.493   7.191  12.941
  135   1HE2  GLN  16          HE21      GLN  16  -1.787   4.471  13.133
  136   2HE2  GLN  16          HE22      GLN  16  -1.730   3.794  11.578
  137    H    HIS  17           HN       HIS  17   1.259  10.154  13.208
  138    HA   HIS  17           HA       HIS  17   1.574   8.653  15.643
  139   1HB   HIS  17          HB2       HIS  17   3.203  10.811  14.300
  140   2HB   HIS  17          HB1       HIS  17   3.684  10.050  15.784
  141    HD1  HIS  17           HD1      HIS  17   4.676   9.795  12.532
  142    HD2  HIS  17           HD2      HIS  17   3.117   6.913  15.110
  143    HE1  HIS  17           HE1      HIS  17   5.367   7.546  11.596
  144    HE2  HIS  17           HE2      HIS  17   4.419   5.779  13.155
  145    H    ILE  18           HN       ILE  18   1.466  12.177  15.015
  146    HA   ILE  18           HA       ILE  18   1.290  12.904  17.769
  147    HB   ILE  18           HB       ILE  18   1.090  15.127  17.003
  148   1HG1  ILE  18          HG12      ILE  18  -0.206  13.966  14.527
  149   2HG1  ILE  18          HG11      ILE  18  -0.932  15.042  15.699
  150   1HG2  ILE  18          HG21      ILE  18   2.935  15.293  15.571
  151   2HG2  ILE  18          HG22      ILE  18   2.364  14.022  14.491
  152   3HG2  ILE  18          HG23      ILE  18   3.100  13.602  16.032
  153   1HD1  ILE  18          HD11      ILE  18   0.904  16.728  14.979
  154   2HD1  ILE  18          HD12      ILE  18  -0.461  16.455  13.894
  155   3HD1  ILE  18          HD13      ILE  18   1.090  15.683  13.567
  156    H    GLU  19           HN       GLU  19  -1.119  12.464  15.201
  157    HA   GLU  19           HA       GLU  19  -3.374  13.372  16.631
  158   1HB   GLU  19          HB2       GLU  19  -3.313  12.992  14.170
  159   2HB   GLU  19          HB1       GLU  19  -3.277  11.254  14.465
  160   1HG   GLU  19          HG2       GLU  19  -5.453  11.386  15.598
  161   2HG   GLU  19          HG1       GLU  19  -5.478  13.132  15.374
  162    H    MET  20           HN       MET  20  -2.218  10.036  16.082
  163    HA   MET  20           HA       MET  20  -3.955   9.082  18.276
  164   1HB   MET  20          HB2       MET  20  -2.295   7.472  16.318
  165   2HB   MET  20          HB1       MET  20  -3.535   6.870  17.408
  166   1HG   MET  20          HG2       MET  20  -5.235   8.213  16.235
  167   2HG   MET  20          HG1       MET  20  -3.995   8.821  15.138
  168   1HE   MET  20          HE1       MET  20  -6.342   7.828  13.916
  169   2HE   MET  20          HE2       MET  20  -5.944   6.527  12.796
  170   3HE   MET  20          HE3       MET  20  -4.935   7.972  12.852
  171    H    ASN  21           HN       ASN  21  -1.796   6.788  18.172
  172    HA   ASN  21           HA       ASN  21   0.511   7.870  19.457
  173   1HB   ASN  21          HB2       ASN  21  -1.178   8.240  21.253
  174   2HB   ASN  21          HB1       ASN  21  -1.497   6.508  21.268
  175   1HD2  ASN  21          HD21      ASN  21  -0.581   5.879  23.252
  176   2HD2  ASN  21          HD22      ASN  21   1.038   6.160  23.678
  177    H    GLN  22           HN       GLN  22   0.356   6.155  17.384
  178    HA   GLN  22           HA       GLN  22   0.223   3.416  17.952
  179   1HB   GLN  22          HB2       GLN  22   0.348   4.461  15.662
  180   2HB   GLN  22          HB1       GLN  22   2.066   4.735  15.937
  181   1HG   GLN  22          HG2       GLN  22   1.833   2.679  14.687
  182   2HG   GLN  22          HG1       GLN  22   2.327   2.250  16.320
  183   1HE2  GLN  22          HE21      GLN  22   1.273   0.228  16.586
  184   2HE2  GLN  22          HE22      GLN  22  -0.404   0.017  16.427
  185    H    SER  23           HN       SER  23   3.072   5.562  17.894
  186    HA   SER  23           HA       SER  23   4.322   4.295  20.108
  187   1HB   SER  23          HB2       SER  23   6.241   3.271  18.851
  188   2HB   SER  23          HB1       SER  23   4.714   2.430  18.621
  189    HG   SER  23           HG       SER  23   6.187   3.199  16.731
  190    H    GLU  24           HN       GLU  24   3.754   6.907  18.645
  191    HA   GLU  24           HA       GLU  24   6.435   8.105  19.053
  192   1HB   GLU  24          HB2       GLU  24   4.727   8.177  16.604
  193   2HB   GLU  24          HB1       GLU  24   5.490   9.695  17.070
  194   1HG   GLU  24          HG2       GLU  24   6.866   8.488  15.468
  195   2HG   GLU  24          HG1       GLU  24   7.695   8.616  17.024
  196    H    ASP  25           HN       ASP  25   6.164  10.566  19.010
  197    HA   ASP  25           HA       ASP  25   3.893  11.283  20.802
  198   1HB   ASP  25          HB2       ASP  25   6.614  12.577  20.594
  199   2HB   ASP  25          HB1       ASP  25   5.380  12.868  21.820
  200    H    LYS  26           HN       LYS  26   5.441  14.022  20.248
  201    HA   LYS  26           HA       LYS  26   3.751  14.792  17.926
  202   1HB   LYS  26          HB2       LYS  26   4.671  16.403  20.299
  203   2HB   LYS  26          HB1       LYS  26   3.789  17.038  18.913
  204   1HG   LYS  26          HG2       LYS  26   1.914  15.553  19.369
  205   2HG   LYS  26          HG1       LYS  26   2.796  14.821  20.714
  206   1HD   LYS  26          HD2       LYS  26   2.861  16.994  21.868
  207   2HD   LYS  26          HD1       LYS  26   1.993  17.737  20.527
  208   1HE   LYS  26          HE2       LYS  26   0.078  16.236  20.922
  209   2HE   LYS  26          HE1       LYS  26   0.945  15.483  22.260
  210   1HZ   LYS  26          HZ1       LYS  26  -0.219  18.172  22.079
  211   2HZ   LYS  26          HZ2       LYS  26   1.128  17.926  23.083
  212   3HZ   LYS  26          HZ3       LYS  26  -0.301  17.047  23.345
  213    H    ILE  27           HN       ILE  27   6.267  16.712  19.429
  214    HA   ILE  27           HA       ILE  27   7.471  17.312  16.911
  215    HB   ILE  27           HB       ILE  27   8.716  17.737  19.643
  216   1HG1  ILE  27          HG12      ILE  27   6.454  18.584  19.813
  217   2HG1  ILE  27          HG11      ILE  27   7.524  19.964  19.591
  218   1HG2  ILE  27          HG21      ILE  27  10.141  18.206  17.693
  219   2HG2  ILE  27          HG22      ILE  27   9.714  19.702  18.523
  220   3HG2  ILE  27          HG23      ILE  27   8.897  19.260  17.023
  221   1HD1  ILE  27          HD11      ILE  27   5.666  18.691  17.590
  222   2HD1  ILE  27          HD12      ILE  27   6.974  19.744  17.068
  223   3HD1  ILE  27          HD13      ILE  27   5.708  20.366  18.124
  224    H    HIS  28           HN       HIS  28   7.983  14.827  19.272
  225    HA   HIS  28           HA       HIS  28  10.650  14.127  18.285
  226   1HB   HIS  28          HB2       HIS  28   8.891  12.519  20.148
  227   2HB   HIS  28          HB1       HIS  28  10.633  12.412  19.952
  228    HD1  HIS  28           HD1      HIS  28   8.069  14.112  21.914
  229    HD2  HIS  28           HD2      HIS  28  12.001  14.922  20.787
  230    HE1  HIS  28           HE1      HIS  28   8.900  15.928  23.471
  231    HE2  HIS  28           HE2      HIS  28  11.295  16.433  22.796
  232    H    ALA  29           HN       ALA  29   7.471  13.595  17.291
  233    HA   ALA  29           HA       ALA  29   7.715  10.914  16.293
  234   1HB   ALA  29          HB1       ALA  29   5.600  11.334  15.239
  235   2HB   ALA  29          HB2       ALA  29   5.793  13.079  15.408
  236   3HB   ALA  29          HB3       ALA  29   5.547  12.077  16.838
  237    H    MET  30           HN       MET  30   7.744  14.144  14.776
  238    HA   MET  30           HA       MET  30   8.328  13.211  12.178
  239   1HB   MET  30          HB2       MET  30   8.823  15.524  11.651
  240   2HB   MET  30          HB1       MET  30   7.420  15.469  12.714
  241   1HG   MET  30          HG2       MET  30   8.689  17.157  13.735
  242   2HG   MET  30          HG1       MET  30   9.212  15.742  14.633
  243   1HE   MET  30          HE1       MET  30  10.910  18.697  14.131
  244   2HE   MET  30          HE2       MET  30  12.394  17.823  14.501
  245   3HE   MET  30          HE3       MET  30  10.906  17.422  15.356
  246    H    ASN  31           HN       ASN  31  10.388  14.279  14.855
  247    HA   ASN  31           HA       ASN  31  12.824  14.326  13.490
  248   1HB   ASN  31          HB2       ASN  31  12.519  15.121  15.809
  249   2HB   ASN  31          HB1       ASN  31  12.322  13.453  16.342
  250   1HD2  ASN  31          HD21      ASN  31  14.265  13.446  17.642
  251   2HD2  ASN  31          HD22      ASN  31  15.810  13.510  16.943
  252    H    SER  32           HN       SER  32  11.344  11.613  15.297
  253    HA   SER  32           HA       SER  32  13.354   9.737  14.602
  254   1HB   SER  32          HB2       SER  32  11.801   9.384  16.477
  255   2HB   SER  32          HB1       SER  32  10.461   9.252  15.341
  256    HG   SER  32           HG       SER  32  12.782   7.614  15.320
  257    H    TYR  33           HN       TYR  33  10.089  10.273  13.265
  258    HA   TYR  33           HA       TYR  33  10.242   8.329  11.237
  259   1HB   TYR  33          HB2       TYR  33   8.117   9.355  11.887
  260   2HB   TYR  33          HB1       TYR  33   8.673  10.932  11.324
  261    HD1  TYR  33           HD2      TYR  33   7.636   7.533  10.279
  262    HD2  TYR  33           HD1      TYR  33   8.787  11.451   8.958
  263    HE1  TYR  33           HE2      TYR  33   6.858   6.986   7.985
  264    HE2  TYR  33           HE1      TYR  33   8.011  10.900   6.660
  265    HH   TYR  33           HH       TYR  33   6.409   7.822   5.942
  266    H    TYR  34           HN       TYR  34  10.786  11.856  11.041
  267    HA   TYR  34           HA       TYR  34  11.547  11.998   8.368
  268   1HB   TYR  34          HB2       TYR  34  11.151  13.981   9.836
  269   2HB   TYR  34          HB1       TYR  34  12.685  13.647  10.643
  270    HD1  TYR  34           HD2      TYR  34  14.836  13.735   9.341
  271    HD2  TYR  34           HD1      TYR  34  11.099  15.070   7.698
  272    HE1  TYR  34           HE2      TYR  34  16.057  14.969   7.573
  273    HE2  TYR  34           HE1      TYR  34  12.322  16.304   5.924
  274    HH   TYR  34           HH       TYR  34  15.688  16.859   6.059
  275    H    ARG  35           HN       ARG  35  13.598  11.523  11.253
  276    HA   ARG  35           HA       ARG  35  16.034  11.352   9.902
  277   1HB   ARG  35          HB2       ARG  35  15.710  11.567  12.406
  278   2HB   ARG  35          HB1       ARG  35  15.370   9.840  12.427
  279   1HG   ARG  35          HG2       ARG  35  17.682   9.824  12.843
  280   2HG   ARG  35          HG1       ARG  35  17.694   9.695  11.088
  281   1HD   ARG  35          HD2       ARG  35  17.930  12.194  10.957
  282   2HD   ARG  35          HD1       ARG  35  18.029  12.240  12.713
  283    HE   ARG  35           HE       ARG  35  20.092  11.355  10.865
  284   1HH1  ARG  35          HH21      ARG  35  18.848  11.271  14.093
  285   2HH1  ARG  35          HH22      ARG  35  20.374  10.890  14.817
  286   1HH2  ARG  35          HH11      ARG  35  22.094  10.858  11.805
  287   2HH2  ARG  35          HH12      ARG  35  22.213  10.656  13.522
  288    H    SER  36           HN       SER  36  13.621   8.900  10.687
  289    HA   SER  36           HA       SER  36  15.121   6.649   9.840
  290   1HB   SER  36          HB2       SER  36  12.121   7.006   9.910
  291   2HB   SER  36          HB1       SER  36  12.975   5.470   9.788
  292    HG   SER  36           HG       SER  36  13.787   7.127  11.842
  293    H    VAL  37           HN       VAL  37  12.866   8.786   8.150
  294    HA   VAL  37           HA       VAL  37  12.907   7.272   5.698
  295    HB   VAL  37           HB       VAL  37  12.112  10.139   6.309
  296   1HG1  VAL  37          HG11      VAL  37  11.917   8.576   3.714
  297   2HG1  VAL  37          HG12      VAL  37  12.698  10.134   3.971
  298   3HG1  VAL  37          HG13      VAL  37  10.944  10.009   4.043
  299   1HG2  VAL  37          HG21      VAL  37   9.814   9.171   5.894
  300   2HG2  VAL  37          HG22      VAL  37  10.622   8.536   7.322
  301   3HG2  VAL  37          HG23      VAL  37  10.555   7.575   5.848
  302    H    VAL  38           HN       VAL  38  14.318  10.482   6.454
  303    HA   VAL  38           HA       VAL  38  15.840  10.772   4.145
  304    HB   VAL  38           HB       VAL  38  15.504  12.513   5.940
  305   1HG1  VAL  38          HG11      VAL  38  16.804  12.493   7.934
  306   2HG1  VAL  38          HG12      VAL  38  17.872  11.220   7.330
  307   3HG1  VAL  38          HG13      VAL  38  16.214  10.847   7.758
  308   1HG2  VAL  38          HG21      VAL  38  17.206  12.755   4.121
  309   2HG2  VAL  38          HG22      VAL  38  18.402  12.018   5.184
  310   3HG2  VAL  38          HG23      VAL  38  17.684  13.571   5.609
  311    H    SER  39           HN       SER  39  16.720   9.140   7.189
  312    HA   SER  39           HA       SER  39  19.374   8.512   6.461
  313   1HB   SER  39          HB2       SER  39  17.492   7.031   8.312
  314   2HB   SER  39          HB1       SER  39  19.224   6.743   8.193
  315    HG   SER  39           HG       SER  39  19.626   8.636   9.116
  316    H    THR  40           HN       THR  40  16.382   6.584   6.228
  317    HA   THR  40           HA       THR  40  17.522   4.311   5.064
  318    HB   THR  40           HB       THR  40  14.744   5.449   4.659
  319    HG1  THR  40           HG1      THR  40  15.514   4.918   6.839
  320   1HG2  THR  40          HG21      THR  40  15.974   2.739   4.070
  321   2HG2  THR  40          HG22      THR  40  15.133   3.813   2.950
  322   3HG2  THR  40          HG23      THR  40  14.233   2.986   4.221
  323    H    LEU  41           HN       LEU  41  16.183   7.237   3.556
  324    HA   LEU  41           HA       LEU  41  16.623   6.326   0.872
  325   1HB   LEU  41          HB2       LEU  41  16.197   9.093   2.010
  326   2HB   LEU  41          HB1       LEU  41  16.204   8.723   0.289
  327    HG   LEU  41           HG       LEU  41  14.313   7.472   2.316
  328   1HD1  LEU  41          HD11      LEU  41  13.748   9.620   0.249
  329   2HD1  LEU  41          HD12      LEU  41  13.964   9.926   1.971
  330   3HD1  LEU  41          HD13      LEU  41  12.606   8.953   1.414
  331   1HD2  LEU  41          HD21      LEU  41  14.344   5.929   0.548
  332   2HD2  LEU  41          HD22      LEU  41  14.673   7.155  -0.675
  333   3HD2  LEU  41          HD23      LEU  41  13.057   7.000   0.013
  334    H    VAL  42           HN       VAL  42  18.386   8.505   3.041
  335    HA   VAL  42           HA       VAL  42  20.558   8.868   1.140
  336    HB   VAL  42           HB       VAL  42  20.300   9.739   4.038
  337   1HG1  VAL  42          HG11      VAL  42  22.073  11.505   2.850
  338   2HG1  VAL  42          HG12      VAL  42  22.487  10.023   1.996
  339   3HG1  VAL  42          HG13      VAL  42  22.585  10.085   3.752
  340   1HG2  VAL  42          HG21      VAL  42  18.582  10.654   2.416
  341   2HG2  VAL  42          HG22      VAL  42  19.908  11.336   1.481
  342   3HG2  VAL  42          HG23      VAL  42  19.619  11.887   3.129
  343    H    GLN  43           HN       GLN  43  19.880   6.146   2.187
  344    HA   GLN  43           HA       GLN  43  22.581   5.293   2.682
  345   1HB   GLN  43          HB2       GLN  43  21.533   6.026   4.967
  346   2HB   GLN  43          HB1       GLN  43  20.613   4.526   4.844
  347   1HG   GLN  43          HG2       GLN  43  22.571   3.970   6.098
  348   2HG   GLN  43          HG1       GLN  43  22.889   3.357   4.480
  349   1HE2  GLN  43          HE21      GLN  43  23.619   6.057   6.690
  350   2HE2  GLN  43          HE22      GLN  43  25.031   6.547   5.889
  351    H    ASP  44           HN       ASP  44  20.112   4.920   0.915
  352    HA   ASP  44           HA       ASP  44  20.580   2.159   0.360
  353   1HB   ASP  44          HB2       ASP  44  19.014   2.111   2.400
  354   2HB   ASP  44          HB1       ASP  44  17.770   2.745   1.331
  355    H    GLN  45           HN       GLN  45  20.296   4.955  -0.811
  356    HA   GLN  45           HA       GLN  45  19.276   4.165  -3.345
  357   1HB   GLN  45          HB2       GLN  45  17.124   4.502  -2.007
  358   2HB   GLN  45          HB1       GLN  45  17.547   6.208  -1.913
  359   1HG   GLN  45          HG2       GLN  45  17.581   6.343  -4.374
  360   2HG   GLN  45          HG1       GLN  45  17.203   4.627  -4.478
  361   1HE2  GLN  45          HE21      GLN  45  15.533   6.769  -5.548
  362   2HE2  GLN  45          HE22      GLN  45  14.055   6.705  -4.715
  363    H    LEU  46           HN       LEU  46  21.636   5.096  -3.107
  364    HA   LEU  46           HA       LEU  46  21.655   8.041  -3.426
  365   1HB   LEU  46          HB2       LEU  46  23.837   6.002  -2.956
  366   2HB   LEU  46          HB1       LEU  46  24.170   7.699  -3.294
  367    HG   LEU  46           HG       LEU  46  22.284   6.917  -1.047
  368   1HD1  LEU  46          HD11      LEU  46  24.254   7.099   0.499
  369   2HD1  LEU  46          HD12      LEU  46  25.310   7.128  -0.915
  370   3HD1  LEU  46          HD13      LEU  46  24.334   5.700  -0.571
  371   1HD2  LEU  46          HD21      LEU  46  22.272   9.293  -1.582
  372   2HD2  LEU  46          HD22      LEU  46  24.030   9.351  -1.600
  373   3HD2  LEU  46          HD23      LEU  46  23.171   9.088  -0.088
  374    H    THR  47           HN       THR  47  20.434   6.869  -5.520
  375    HA   THR  47           HA       THR  47  22.217   6.136  -7.628
  376    HB   THR  47           HB       THR  47  19.919   5.359  -7.653
  377    HG1  THR  47           HG1      THR  47  20.158   5.470  -9.712
  378   1HG2  THR  47          HG21      THR  47  18.951   7.342  -6.481
  379   2HG2  THR  47          HG22      THR  47  18.055   6.883  -7.927
  380   3HG2  THR  47          HG23      THR  47  19.143   8.267  -7.969
  381    H    LYS  48           HN       LYS  48  20.743   9.109  -6.529
  382    HA   LYS  48           HA       LYS  48  22.651  10.697  -7.980
  383   1HB   LYS  48          HB2       LYS  48  20.865  10.086  -9.710
  384   2HB   LYS  48          HB1       LYS  48  19.748  11.038  -8.746
  385   1HG   LYS  48          HG2       LYS  48  20.486  12.672 -10.249
  386   2HG   LYS  48          HG1       LYS  48  21.630  12.921  -8.935
  387   1HD   LYS  48          HD2       LYS  48  23.225  11.363 -10.132
  388   2HD   LYS  48          HD1       LYS  48  22.084  11.321 -11.473
  389   1HE   LYS  48          HE2       LYS  48  22.285  13.741 -11.755
  390   2HE   LYS  48          HE1       LYS  48  23.367  13.829 -10.362
  391   1HZ   LYS  48          HZ1       LYS  48  24.255  13.585 -12.832
  392   2HZ   LYS  48          HZ2       LYS  48  24.068  11.938 -12.459
  393   3HZ   LYS  48          HZ3       LYS  48  25.071  12.919 -11.502
  394    H    ASN  49           HN       ASN  49  23.007  12.542  -6.897
  395    HA   ASN  49           HA       ASN  49  21.946  13.124  -4.421
  396   1HB   ASN  49          HB2       ASN  49  22.781  15.416  -4.730
  397   2HB   ASN  49          HB1       ASN  49  23.956  14.217  -5.268
  398   1HD2  ASN  49          HD21      ASN  49  24.775  14.535  -7.337
  399   2HD2  ASN  49          HD22      ASN  49  24.044  15.489  -8.533
  400    H    ALA  50           HN       ALA  50  20.744  14.122  -7.605
  401    HA   ALA  50           HA       ALA  50  18.783  15.940  -6.633
  402   1HB   ALA  50          HB1       ALA  50  18.739  14.390  -9.214
  403   2HB   ALA  50          HB2       ALA  50  19.601  15.910  -8.974
  404   3HB   ALA  50          HB3       ALA  50  17.841  15.863  -8.851
  405    H    VAL  51           HN       VAL  51  18.509  12.602  -7.853
  406    HA   VAL  51           HA       VAL  51  15.804  12.144  -7.474
  407    HB   VAL  51           HB       VAL  51  18.166  10.289  -7.126
  408   1HG1  VAL  51          HG11      VAL  51  16.366   8.430  -7.379
  409   2HG1  VAL  51          HG12      VAL  51  15.210   9.656  -6.871
  410   3HG1  VAL  51          HG13      VAL  51  16.527   9.186  -5.797
  411   1HG2  VAL  51          HG21      VAL  51  16.041  10.289  -9.296
  412   2HG2  VAL  51          HG22      VAL  51  17.633   9.531  -9.328
  413   3HG2  VAL  51          HG23      VAL  51  17.490  11.286  -9.410
  414    H    VAL  52           HN       VAL  52  18.382  11.844  -5.040
  415    HA   VAL  52           HA       VAL  52  16.530  11.081  -2.956
  416    HB   VAL  52           HB       VAL  52  18.471  11.350  -1.433
  417   1HG1  VAL  52          HG11      VAL  52  19.842   9.593  -2.445
  418   2HG1  VAL  52          HG12      VAL  52  19.146   9.933  -4.031
  419   3HG1  VAL  52          HG13      VAL  52  18.136   9.266  -2.747
  420   1HG2  VAL  52          HG21      VAL  52  19.801  12.322  -3.946
  421   2HG2  VAL  52          HG22      VAL  52  20.686  11.884  -2.503
  422   3HG2  VAL  52          HG23      VAL  52  19.582  13.258  -2.482
  423    H    LEU  53           HN       LEU  53  18.141  14.067  -3.929
  424    HA   LEU  53           HA       LEU  53  17.369  15.645  -1.744
  425   1HB   LEU  53          HB2       LEU  53  18.129  16.207  -4.547
  426   2HB   LEU  53          HB1       LEU  53  17.472  17.544  -3.637
  427    HG   LEU  53           HG       LEU  53  19.805  15.869  -2.620
  428   1HD1  LEU  53          HD11      LEU  53  20.475  16.845  -4.762
  429   2HD1  LEU  53          HD12      LEU  53  21.252  17.723  -3.447
  430   3HD1  LEU  53          HD13      LEU  53  19.854  18.416  -4.265
  431   1HD2  LEU  53          HD21      LEU  53  20.226  18.106  -1.383
  432   2HD2  LEU  53          HD22      LEU  53  18.841  17.176  -0.838
  433   3HD2  LEU  53          HD23      LEU  53  18.604  18.575  -1.884
  434    H    LYS  54           HN       LYS  54  15.662  14.921  -4.755
  435    HA   LYS  54           HA       LYS  54  13.547  16.704  -4.528
  436   1HB   LYS  54          HB2       LYS  54  13.690  13.861  -5.556
  437   2HB   LYS  54          HB1       LYS  54  12.231  14.839  -5.718
  438   1HG   LYS  54          HG2       LYS  54  13.387  16.496  -7.027
  439   2HG   LYS  54          HG1       LYS  54  14.946  15.737  -6.727
  440   1HD   LYS  54          HD2       LYS  54  14.144  13.698  -7.889
  441   2HD   LYS  54          HD1       LYS  54  12.637  14.529  -8.266
  442   1HE   LYS  54          HE2       LYS  54  15.398  15.464  -9.102
  443   2HE   LYS  54          HE1       LYS  54  14.240  14.653 -10.157
  444   1HZ   LYS  54          HZ1       LYS  54  12.664  16.518  -9.447
  445   2HZ   LYS  54          HZ2       LYS  54  13.887  16.892 -10.566
  446   3HZ   LYS  54          HZ3       LYS  54  14.060  17.332  -8.933
  447    H    ARG  55           HN       ARG  55  13.795  13.409  -3.180
  448    HA   ARG  55           HA       ARG  55  11.318  13.433  -1.848
  449   1HB   ARG  55          HB2       ARG  55  13.881  11.932  -1.243
  450   2HB   ARG  55          HB1       ARG  55  12.330  11.576  -0.486
  451   1HG   ARG  55          HG2       ARG  55  12.556  11.591  -3.513
  452   2HG   ARG  55          HG1       ARG  55  13.089  10.183  -2.603
  453   1HD   ARG  55          HD2       ARG  55  10.314  11.387  -2.361
  454   2HD   ARG  55          HD1       ARG  55  10.724  10.021  -3.388
  455    HE   ARG  55           HE       ARG  55  11.617   9.473  -0.774
  456   1HH1  ARG  55          HH21      ARG  55   8.709   9.928  -2.594
  457   2HH1  ARG  55          HH22      ARG  55   7.763   8.862  -1.610
  458   1HH2  ARG  55          HH11      ARG  55  10.385   8.071   0.518
  459   2HH2  ARG  55          HH12      ARG  55   8.711   7.811   0.153
  460    H    ILE  56           HN       ILE  56  14.589  14.331  -0.771
  461    HA   ILE  56           HA       ILE  56  13.884  14.845   1.929
  462    HB   ILE  56           HB       ILE  56  16.102  16.030   0.217
  463   1HG1  ILE  56          HG12      ILE  56  16.149  13.797   2.271
  464   2HG1  ILE  56          HG11      ILE  56  16.062  13.532   0.539
  465   1HG2  ILE  56          HG21      ILE  56  15.791  17.489   2.128
  466   2HG2  ILE  56          HG22      ILE  56  17.182  16.479   2.479
  467   3HG2  ILE  56          HG23      ILE  56  15.627  16.116   3.220
  468   1HD1  ILE  56          HD11      ILE  56  18.370  13.351   1.200
  469   2HD1  ILE  56          HD12      ILE  56  18.288  14.896   2.043
  470   3HD1  ILE  56          HD13      ILE  56  18.174  14.844   0.292
  471    H    GLN  57           HN       GLN  57  14.383  17.132  -0.769
  472    HA   GLN  57           HA       GLN  57  13.642  19.472   0.496
  473   1HB   GLN  57          HB2       GLN  57  13.173  18.596  -2.367
  474   2HB   GLN  57          HB1       GLN  57  12.943  20.251  -1.797
  475   1HG   GLN  57          HG2       GLN  57  15.284  20.358  -1.093
  476   2HG   GLN  57          HG1       GLN  57  15.529  18.688  -1.594
  477   1HE2  GLN  57          HE21      GLN  57  17.242  20.168  -2.916
  478   2HE2  GLN  57          HE22      GLN  57  16.721  20.596  -4.473
  479    H    HIS  58           HN       HIS  58  11.583  17.023  -1.030
  480    HA   HIS  58           HA       HIS  58   9.138  18.459  -0.571
  481   1HB   HIS  58          HB2       HIS  58   8.701  16.927  -2.257
  482   2HB   HIS  58          HB1       HIS  58   9.934  15.821  -1.687
  483    HD1  HIS  58           HD1      HIS  58   9.099  13.731  -0.625
  484    HD2  HIS  58           HD2      HIS  58   6.288  16.796  -0.417
  485    HE1  HIS  58           HE1      HIS  58   7.043  12.742   0.475
  486    HE2  HIS  58           HE2      HIS  58   5.328  14.598   0.618
  487    H    LEU  59           HN       LEU  59  10.858  15.821   1.072
  488    HA   LEU  59           HA       LEU  59   8.896  15.208   2.955
  489   1HB   LEU  59          HB2       LEU  59  10.958  13.894   2.570
  490   2HB   LEU  59          HB1       LEU  59  11.884  15.153   3.373
  491    HG   LEU  59           HG       LEU  59  10.488  14.791   5.433
  492   1HD1  LEU  59          HD11      LEU  59   9.208  12.706   3.663
  493   2HD1  LEU  59          HD12      LEU  59   8.456  13.825   4.795
  494   3HD1  LEU  59          HD13      LEU  59   9.316  12.422   5.397
  495   1HD2  LEU  59          HD21      LEU  59  11.640  12.804   6.127
  496   2HD2  LEU  59          HD22      LEU  59  12.711  13.662   5.021
  497   3HD2  LEU  59          HD23      LEU  59  11.806  12.259   4.463
  498    H    ASP  60           HN       ASP  60  11.145  17.861   2.808
  499    HA   ASP  60           HA       ASP  60  11.175  18.710   5.454
  500   1HB   ASP  60          HB2       ASP  60  12.484  19.756   3.614
  501   2HB   ASP  60          HB1       ASP  60  10.998  20.475   3.000
  502    H    GLU  61           HN       GLU  61   8.834  19.643   2.907
  503    HA   GLU  61           HA       GLU  61   7.177  21.271   4.423
  504   1HB   GLU  61          HB2       GLU  61   5.650  21.133   2.651
  505   2HB   GLU  61          HB1       GLU  61   7.110  20.552   1.853
  506   1HG   GLU  61          HG2       GLU  61   6.319  18.171   2.519
  507   2HG   GLU  61          HG1       GLU  61   4.783  18.917   2.919
  508    H    ALA  62           HN       ALA  62   7.449  17.791   4.429
  509    HA   ALA  62           HA       ALA  62   4.986  17.234   5.708
  510   1HB   ALA  62          HB1       ALA  62   6.714  15.657   4.507
  511   2HB   ALA  62          HB2       ALA  62   5.770  15.025   5.850
  512   3HB   ALA  62          HB3       ALA  62   7.439  15.526   6.107
  513    H    TYR  63           HN       TYR  63   8.278  17.180   7.101
  514    HA   TYR  63           HA       TYR  63   7.548  16.980   9.762
  515   1HB   TYR  63          HB2       TYR  63   9.840  16.933   9.916
  516   2HB   TYR  63          HB1       TYR  63   9.969  17.533   8.264
  517    HD1  TYR  63           HD2      TYR  63   9.680  18.544  11.832
  518    HD2  TYR  63           HD1      TYR  63  10.513  19.852   7.830
  519    HE1  TYR  63           HE2      TYR  63  10.454  20.726  12.712
  520    HE2  TYR  63           HE1      TYR  63  11.280  22.041   8.704
  521    HH   TYR  63           HH       TYR  63  10.896  23.432  10.741
  522    H    ASN  64           HN       ASN  64   7.933  19.885   7.755
  523    HA   ASN  64           HA       ASN  64   7.539  21.803   9.769
  524   1HB   ASN  64          HB2       ASN  64   8.440  22.331   7.531
  525   2HB   ASN  64          HB1       ASN  64   6.856  21.995   6.830
  526   1HD2  ASN  64          HD21      ASN  64   6.454  24.198   6.143
  527   2HD2  ASN  64          HD22      ASN  64   6.215  25.456   7.256
  528    H    LYS  65           HN       LYS  65   5.349  19.750   8.044
  529    HA   LYS  65           HA       LYS  65   2.984  21.284   8.609
  530   1HB   LYS  65          HB2       LYS  65   3.321  19.520   6.732
  531   2HB   LYS  65          HB1       LYS  65   3.029  18.320   7.985
  532   1HG   LYS  65          HG2       LYS  65   0.829  18.651   7.246
  533   2HG   LYS  65          HG1       LYS  65   0.885  19.865   8.513
  534   1HD   LYS  65          HD2       LYS  65   1.485  21.576   6.804
  535   2HD   LYS  65          HD1       LYS  65   1.370  20.339   5.553
  536   1HE   LYS  65          HE2       LYS  65  -0.989  19.946   6.162
  537   2HE   LYS  65          HE1       LYS  65  -0.872  21.199   7.400
  538   1HZ   LYS  65          HZ1       LYS  65   0.036  22.532   5.315
  539   2HZ   LYS  65          HZ2       LYS  65  -1.615  22.471   5.713
  540   3HZ   LYS  65          HZ3       LYS  65  -0.991  21.454   4.504
  541    H    VAL  66           HN       VAL  66   4.762  18.710  10.188
  542    HA   VAL  66           HA       VAL  66   2.732  17.956  12.029
  543    HB   VAL  66           HB       VAL  66   5.741  17.753  12.460
  544   1HG1  VAL  66          HG11      VAL  66   4.263  17.226  14.399
  545   2HG1  VAL  66          HG12      VAL  66   5.129  15.807  13.805
  546   3HG1  VAL  66          HG13      VAL  66   3.432  16.042  13.395
  547   1HG2  VAL  66          HG21      VAL  66   3.834  15.949  10.941
  548   2HG2  VAL  66          HG22      VAL  66   5.481  15.518  11.387
  549   3HG2  VAL  66          HG23      VAL  66   5.194  16.841  10.265
  550    H    LYS  67           HN       LYS  67   5.582  20.057  12.367
  551    HA   LYS  67           HA       LYS  67   5.017  20.888  15.007
  552   1HB   LYS  67          HB2       LYS  67   6.523  22.347  12.833
  553   2HB   LYS  67          HB1       LYS  67   6.626  22.653  14.566
  554   1HG   LYS  67          HG2       LYS  67   7.094  19.855  14.359
  555   2HG   LYS  67          HG1       LYS  67   7.952  20.538  12.987
  556   1HD   LYS  67          HD2       LYS  67   8.273  21.340  15.887
  557   2HD   LYS  67          HD1       LYS  67   9.407  20.374  14.943
  558   1HE   LYS  67          HE2       LYS  67  10.445  22.409  14.548
  559   2HE   LYS  67          HE1       LYS  67   9.154  22.683  13.378
  560   1HZ   LYS  67          HZ1       LYS  67   9.594  24.378  15.273
  561   2HZ   LYS  67          HZ2       LYS  67   8.684  23.298  16.217
  562   3HZ   LYS  67          HZ3       LYS  67   8.000  24.006  14.831
  563    H    ARG  68           HN       ARG  68   4.391  22.415  11.873
  564    HA   ARG  68           HA       ARG  68   3.240  24.783  12.776
  565   1HB   ARG  68          HB2       ARG  68   3.909  24.310  10.428
  566   2HB   ARG  68          HB1       ARG  68   2.517  23.238  10.271
  567   1HG   ARG  68          HG2       ARG  68   0.995  25.081  10.697
  568   2HG   ARG  68          HG1       ARG  68   2.342  26.163  11.034
  569   1HD   ARG  68          HD2       ARG  68   1.635  26.613   8.779
  570   2HD   ARG  68          HD1       ARG  68   3.161  25.742   8.686
  571    HE   ARG  68           HE       ARG  68   2.040  23.917   7.752
  572   1HH1  ARG  68          HH21      ARG  68  -0.176  26.263   9.001
  573   2HH1  ARG  68          HH22      ARG  68  -1.569  25.535   8.272
  574   1HH2  ARG  68          HH11      ARG  68   0.220  22.956   6.798
  575   2HH2  ARG  68          HH12      ARG  68  -1.345  23.664   7.025
  576    H    GLY  69           HN       GLY  69   2.004  21.554  12.670
  577   1HA   GLY  69          HA2       GLY  69  -0.778  22.315  12.988
  578   2HA   GLY  69          HA1       GLY  69  -0.106  20.688  13.012
  579    H    GLU  70           HN       GLU  70   1.969  21.879  14.985
  580    HA   GLU  70           HA       GLU  70   0.407  21.264  17.400
  581   1HB   GLU  70          HB2       GLU  70   3.374  21.573  16.881
  582   2HB   GLU  70          HB1       GLU  70   2.682  21.236  18.470
  583   1HG   GLU  70          HG2       GLU  70   2.133  19.518  16.043
  584   2HG   GLU  70          HG1       GLU  70   3.441  19.192  17.153
  585    H    SER  71           HN       SER  71   1.228  22.552  19.385
  586    HA   SER  71           HA       SER  71   0.915  24.539  20.500
  587   1HB   SER  71          HB2       SER  71   2.851  25.324  18.321
  588   2HB   SER  71          HB1       SER  71   2.451  26.365  19.686
  589    HG   SER  71           HG       SER  71   3.795  25.232  20.814
  590    H    LYS  72           HN       LYS  72   0.702  27.130  19.846
  591    HA   LYS  72           HA       LYS  72  -1.273  27.389  17.655
  592   1HB   LYS  72          HB2       LYS  72  -1.771  28.067  20.563
  593   2HB   LYS  72          HB1       LYS  72  -2.752  28.700  19.243
  594   1HG   LYS  72          HG2       LYS  72  -3.285  26.377  18.537
  595   2HG   LYS  72          HG1       LYS  72  -2.316  25.764  19.872
  596   1HD   LYS  72          HD2       LYS  72  -4.485  25.684  20.779
  597   2HD   LYS  72          HD1       LYS  72  -3.892  27.222  21.397
  598   1HE   LYS  72          HE2       LYS  72  -6.182  27.433  20.501
  599   2HE   LYS  72          HE1       LYS  72  -5.065  28.401  19.548
  600   1HZ   LYS  72          HZ1       LYS  72  -5.478  25.642  18.708
  601   2HZ   LYS  72          HZ2       LYS  72  -5.251  27.041  17.770
  602   3HZ   LYS  72          HZ3       LYS  72  -6.769  26.713  18.461
  603    H    LEU  73           HN       LEU  73  -0.075  29.347  20.380
  604    HA   LEU  73           HA       LEU  73  -0.060  31.774  19.046
  605   1HB   LEU  73          HB2       LEU  73   1.495  30.667  21.362
  606   2HB   LEU  73          HB1       LEU  73   1.881  32.283  20.779
  607    HG   LEU  73           HG       LEU  73   0.253  32.283  22.641
  608   1HD1  LEU  73          HD11      LEU  73   0.187  33.918  20.463
  609   2HD1  LEU  73          HD12      LEU  73  -0.910  34.087  21.825
  610   3HD1  LEU  73          HD13      LEU  73  -1.443  33.249  20.373
  611   1HD2  LEU  73          HD21      LEU  73  -1.943  31.337  22.431
  612   2HD2  LEU  73          HD22      LEU  73  -0.809  30.080  21.945
  613   3HD2  LEU  73          HD23      LEU  73  -1.696  30.988  20.720
  614    H    GLU  74           HN       GLU  74   2.753  29.664  19.573
  615    HA   GLU  74           HA       GLU  74   4.703  29.409  18.401
  616   1HB   GLU  74          HB2       GLU  74   2.916  30.292  16.120
  617   2HB   GLU  74          HB1       GLU  74   4.542  29.657  15.916
  618   1HG   GLU  74          HG2       GLU  74   3.888  27.551  16.965
  619   2HG   GLU  74          HG1       GLU  74   2.277  28.188  17.293
  620    H    HIS  75           HN       HIS  75   4.629  31.683  19.861
  621    HA   HIS  75           HA       HIS  75   6.315  33.496  18.285
  622   1HB   HIS  75          HB2       HIS  75   3.827  34.407  19.761
  623   2HB   HIS  75          HB1       HIS  75   5.076  35.487  19.143
  624    HD1  HIS  75           HD1      HIS  75   5.642  34.747  16.411
  625    HD2  HIS  75           HD2      HIS  75   1.786  34.247  17.915
  626    HE1  HIS  75           HE1      HIS  75   4.100  34.632  14.405
  627    HE2  HIS  75           HE2      HIS  75   1.745  34.328  15.306
  628    H    HIS  76           HN       HIS  76   7.428  35.062  19.652
  629    HA   HIS  76           HA       HIS  76   7.716  34.209  22.491
  630   1HB   HIS  76          HB2       HIS  76   9.524  33.223  21.054
  631   2HB   HIS  76          HB1       HIS  76  10.021  34.862  20.635
  632    HD1  HIS  76           HD1      HIS  76  11.955  35.567  22.047
  633    HD2  HIS  76           HD2      HIS  76   9.298  33.167  24.183
  634    HE1  HIS  76           HE1      HIS  76  12.875  35.397  24.400
  635    HE2  HIS  76           HE2      HIS  76  11.267  33.938  25.715
  636    H    HIS  77           HN       HIS  77   6.170  36.353  21.729
  637    HA   HIS  77           HA       HIS  77   7.705  38.809  21.831
  638   1HB   HIS  77          HB2       HIS  77   4.732  38.309  22.133
  639   2HB   HIS  77          HB1       HIS  77   5.492  39.890  21.959
  640    HD1  HIS  77           HD1      HIS  77   7.427  39.563  19.728
  641    HD2  HIS  77           HD2      HIS  77   3.699  37.698  19.647
  642    HE1  HIS  77           HE1      HIS  77   6.926  39.069  17.296
  643    HE2  HIS  77           HE2      HIS  77   4.656  37.932  17.229
  644    H    HIS  78           HN       HIS  78   8.631  37.477  23.919
  645    HA   HIS  78           HA       HIS  78   7.229  37.671  26.353
  646   1HB   HIS  78          HB2       HIS  78   9.286  36.325  26.035
  647   2HB   HIS  78          HB1       HIS  78  10.222  37.814  25.905
  648    HD1  HIS  78           HD1      HIS  78   7.788  36.219  28.381
  649    HD2  HIS  78           HD2      HIS  78  11.149  38.687  28.357
  650    HE1  HIS  78           HE1      HIS  78   8.370  36.661  30.807
  651    HE2  HIS  78           HE2      HIS  78  10.417  38.164  30.808
  652    H    HIS  79           HN       HIS  79   9.515  39.897  24.791
  653    HA   HIS  79           HA       HIS  79   8.426  42.117  26.440
  654   1HB   HIS  79          HB2       HIS  79  10.602  41.369  27.389
  655   2HB   HIS  79          HB1       HIS  79  11.361  41.678  25.828
  656    HD1  HIS  79           HD1      HIS  79   9.353  43.552  28.476
  657    HD2  HIS  79           HD2      HIS  79  12.161  44.313  25.490
  658    HE1  HIS  79           HE1      HIS  79   9.947  46.006  28.660
  659    HE2  HIS  79           HE2      HIS  79  11.659  46.487  26.846
  660    H    HIS  80           HN       HIS  80  10.427  41.253  23.614
  661    HA   HIS  80           HA       HIS  80  10.110  43.818  22.366
  662   1HB   HIS  80          HB2       HIS  80  12.031  42.297  21.916
  663   2HB   HIS  80          HB1       HIS  80  10.924  41.180  21.118
  664    HD1  HIS  80           HD1      HIS  80  11.884  44.867  20.861
  665    HD2  HIS  80           HD2      HIS  80  10.642  41.723  18.422
  666    HE1  HIS  80           HE1      HIS  80  11.903  45.751  18.489
  667    HE2  HIS  80           HE2      HIS  80  11.148  43.846  16.989
  668   1H    MET   1          HT1       MET   1  41.107  32.230  15.592
  669   2H    MET   1          HT2       MET   1  41.175  30.887  16.630
  670   3H    MET   1          HT3       MET   1  41.554  32.437  17.216
  671    HA   MET   1           HA       MET   1  39.449  32.380  17.975
  672   1HB   MET   1          HB2       MET   1  39.107  33.016  15.028
  673   2HB   MET   1          HB1       MET   1  37.872  33.312  16.252
  674   1HG   MET   1          HG2       MET   1  39.459  34.764  17.485
  675   2HG   MET   1          HG1       MET   1  40.664  34.496  16.224
  676   1HE   MET   1          HE1       MET   1  39.824  38.095  15.379
  677   2HE   MET   1          HE2       MET   1  41.062  36.863  15.612
  678   3HE   MET   1          HE3       MET   1  40.042  37.343  16.967
  679    H    SER   2           HN       SER   2  39.379  30.746  14.797
  680    HA   SER   2           HA       SER   2  38.146  28.379  15.965
  681   1HB   SER   2          HB2       SER   2  36.173  28.456  14.484
  682   2HB   SER   2          HB1       SER   2  36.189  29.814  15.607
  683    HG   SER   2           HG       SER   2  35.941  29.998  13.072
  684    H    GLU   3           HN       GLU   3  38.889  26.640  14.947
  685    HA   GLU   3           HA       GLU   3  40.348  26.980  12.402
  686   1HB   GLU   3          HB2       GLU   3  41.336  25.761  14.427
  687   2HB   GLU   3          HB1       GLU   3  40.177  24.474  14.109
  688   1HG   GLU   3          HG2       GLU   3  42.199  23.843  12.978
  689   2HG   GLU   3          HG1       GLU   3  41.094  24.393  11.722
  690    H    LEU   4           HN       LEU   4  38.345  27.293  11.202
  691    HA   LEU   4           HA       LEU   4  36.396  25.220  10.964
  692   1HB   LEU   4          HB2       LEU   4  37.078  27.397   8.976
  693   2HB   LEU   4          HB1       LEU   4  35.557  26.514   9.101
  694    HG   LEU   4           HG       LEU   4  36.715  28.370  11.204
  695   1HD1  LEU   4          HD11      LEU   4  34.349  28.673   9.332
  696   2HD1  LEU   4          HD12      LEU   4  35.878  29.546   9.222
  697   3HD1  LEU   4          HD13      LEU   4  34.805  29.819  10.594
  698   1HD2  LEU   4          HD21      LEU   4  34.240  26.612  11.161
  699   2HD2  LEU   4          HD22      LEU   4  34.291  28.077  12.144
  700   3HD2  LEU   4          HD23      LEU   4  35.450  26.788  12.433
  701    H    PHE   5           HN       PHE   5  39.534  25.732   9.634
  702    HA   PHE   5           HA       PHE   5  39.347  24.311   7.223
  703   1HB   PHE   5          HB2       PHE   5  41.682  24.537   9.144
  704   2HB   PHE   5          HB1       PHE   5  41.788  23.964   7.480
  705    HD1  PHE   5           HD2      PHE   5  41.333  25.492   5.578
  706    HD2  PHE   5           HD1      PHE   5  41.382  26.895   9.639
  707    HE1  PHE   5           HE2      PHE   5  41.472  27.833   4.769
  708    HE2  PHE   5           HE1      PHE   5  41.522  29.234   8.829
  709    HZ   PHE   5           HZ       PHE   5  41.568  29.704   6.394
  710    H    SER   6           HN       SER   6  40.005  23.221  10.529
  711    HA   SER   6           HA       SER   6  40.199  20.431   9.687
  712   1HB   SER   6          HB2       SER   6  41.141  20.067  11.776
  713   2HB   SER   6          HB1       SER   6  41.390  21.802  11.706
  714    HG   SER   6           HG       SER   6  40.356  21.504  13.587
  715    H    VAL   7           HN       VAL   7  38.544  19.066   9.599
  716    HA   VAL   7           HA       VAL   7  35.889  19.860  10.076
  717    HB   VAL   7           HB       VAL   7  36.582  16.921  10.168
  718   1HG1  VAL   7          HG11      VAL   7  34.653  16.686   8.750
  719   2HG1  VAL   7          HG12      VAL   7  34.544  18.430   8.520
  720   3HG1  VAL   7          HG13      VAL   7  34.225  17.728  10.106
  721   1HG2  VAL   7          HG21      VAL   7  36.832  16.978   7.635
  722   2HG2  VAL   7          HG22      VAL   7  38.204  17.613   8.537
  723   3HG2  VAL   7          HG23      VAL   7  37.061  18.721   7.777
  724    HA   PRO   8           HA       PRO   8  36.504  17.123  14.166
  725   1HB   PRO   8          HB2       PRO   8  39.110  18.527  14.810
  726   2HB   PRO   8          HB1       PRO   8  38.557  16.911  15.313
  727   1HG   PRO   8          HG2       PRO   8  40.311  17.145  13.350
  728   2HG   PRO   8          HG1       PRO   8  38.978  15.980  13.204
  729   1HD   PRO   8          HD2       PRO   8  39.299  18.643  11.894
  730   2HD   PRO   8          HD1       PRO   8  38.578  17.174  11.237
  731    H    TYR   9           HN       TYR   9  37.588  20.444  13.589
  732    HA   TYR   9           HA       TYR   9  36.930  21.611  16.036
  733   1HB   TYR   9          HB2       TYR   9  38.151  22.849  14.325
  734   2HB   TYR   9          HB1       TYR   9  36.759  22.787  13.245
  735    HD1  TYR   9           HD1      TYR   9  37.997  24.124  16.493
  736    HD2  TYR   9           HD2      TYR   9  34.931  24.353  13.488
  737    HE1  TYR   9           HE1      TYR   9  37.111  26.182  17.554
  738    HE2  TYR   9           HE2      TYR   9  34.047  26.411  14.551
  739    HH   TYR   9           HH       TYR   9  35.603  28.303  16.483
  740    H    PHE  10           HN       PHE  10  34.893  20.963  13.204
  741    HA   PHE  10           HA       PHE  10  32.576  22.252  14.175
  742   1HB   PHE  10          HB2       PHE  10  33.315  20.670  11.870
  743   2HB   PHE  10          HB1       PHE  10  31.823  19.979  12.498
  744    HD1  PHE  10           HD2      PHE  10  33.396  23.312  11.745
  745    HD2  PHE  10           HD1      PHE  10  29.782  20.988  11.816
  746    HE1  PHE  10           HE2      PHE  10  32.159  25.202  10.723
  747    HE2  PHE  10           HE1      PHE  10  28.551  22.879  10.793
  748    HZ   PHE  10           HZ       PHE  10  29.731  24.981  10.249
  749    H    ILE  11           HN       ILE  11  33.691  18.894  14.448
  750    HA   ILE  11           HA       ILE  11  31.420  17.867  15.735
  751    HB   ILE  11           HB       ILE  11  34.283  16.984  16.177
  752   1HG1  ILE  11          HG12      ILE  11  32.322  16.278  13.965
  753   2HG1  ILE  11          HG11      ILE  11  33.802  17.197  13.766
  754   1HG2  ILE  11          HG21      ILE  11  32.494  16.001  17.657
  755   2HG2  ILE  11          HG22      ILE  11  33.252  14.818  16.612
  756   3HG2  ILE  11          HG23      ILE  11  31.661  15.446  16.208
  757   1HD1  ILE  11          HD11      ILE  11  34.320  14.972  13.107
  758   2HD1  ILE  11          HD12      ILE  11  33.535  14.295  14.534
  759   3HD1  ILE  11          HD13      ILE  11  35.048  15.189  14.697
  760    H    GLU  12           HN       GLU  12  34.437  19.197  17.085
  761    HA   GLU  12           HA       GLU  12  34.060  18.826  19.786
  762   1HB   GLU  12          HB2       GLU  12  35.129  21.262  18.333
  763   2HB   GLU  12          HB1       GLU  12  35.240  21.070  20.082
  764   1HG   GLU  12          HG2       GLU  12  36.555  19.039  19.822
  765   2HG   GLU  12          HG1       GLU  12  36.358  19.090  18.075
  766    H    ASN  13           HN       ASN  13  32.382  21.141  17.704
  767    HA   ASN  13           HA       ASN  13  31.178  22.744  19.674
  768   1HB   ASN  13          HB2       ASN  13  29.968  21.907  17.031
  769   2HB   ASN  13          HB1       ASN  13  29.533  23.318  17.982
  770   1HD2  ASN  13          HD21      ASN  13  32.424  23.826  18.703
  771   2HD2  ASN  13          HD22      ASN  13  33.118  24.479  17.299
  772    H    LEU  14           HN       LEU  14  30.309  19.565  18.400
  773    HA   LEU  14           HA       LEU  14  27.759  19.426  19.720
  774   1HB   LEU  14          HB2       LEU  14  29.521  17.313  18.445
  775   2HB   LEU  14          HB1       LEU  14  27.973  16.936  19.195
  776    HG   LEU  14           HG       LEU  14  26.850  18.539  17.680
  777   1HD1  LEU  14          HD11      LEU  14  28.384  19.158  15.600
  778   2HD1  LEU  14          HD12      LEU  14  29.677  19.029  16.777
  779   3HD1  LEU  14          HD13      LEU  14  28.360  20.165  17.040
  780   1HD2  LEU  14          HD21      LEU  14  26.865  16.240  16.979
  781   2HD2  LEU  14          HD22      LEU  14  28.526  16.359  16.392
  782   3HD2  LEU  14          HD23      LEU  14  27.225  17.207  15.553
  783    H    LYS  15           HN       LYS  15  31.044  18.381  20.479
  784    HA   LYS  15           HA       LYS  15  30.442  16.824  22.733
  785   1HB   LYS  15          HB2       LYS  15  32.606  16.838  21.542
  786   2HB   LYS  15          HB1       LYS  15  32.953  18.423  22.226
  787   1HG   LYS  15          HG2       LYS  15  32.751  17.487  24.507
  788   2HG   LYS  15          HG1       LYS  15  32.417  15.897  23.828
  789   1HD   LYS  15          HD2       LYS  15  34.959  17.472  23.300
  790   2HD   LYS  15          HD1       LYS  15  34.809  16.252  24.559
  791   1HE   LYS  15          HE2       LYS  15  34.088  14.629  22.693
  792   2HE   LYS  15          HE1       LYS  15  34.679  15.848  21.563
  793   1HZ   LYS  15          HZ1       LYS  15  36.799  15.816  22.850
  794   2HZ   LYS  15          HZ2       LYS  15  36.461  14.398  21.976
  795   3HZ   LYS  15          HZ3       LYS  15  36.220  14.442  23.657
  796    H    GLN  16           HN       GLN  16  30.907  20.273  22.276
  797    HA   GLN  16           HA       GLN  16  31.131  21.015  25.003
  798   1HB   GLN  16          HB2       GLN  16  31.778  22.521  23.182
  799   2HB   GLN  16          HB1       GLN  16  30.101  22.611  22.649
  800   1HG   GLN  16          HG2       GLN  16  29.430  23.697  24.706
  801   2HG   GLN  16          HG1       GLN  16  31.011  23.430  25.425
  802   1HE2  GLN  16          HE21      GLN  16  29.944  26.046  25.233
  803   2HE2  GLN  16          HE22      GLN  16  30.859  26.929  24.109
  804    H    HIS  17           HN       HIS  17  28.419  20.248  22.969
  805    HA   HIS  17           HA       HIS  17  26.422  21.444  24.651
  806   1HB   HIS  17          HB2       HIS  17  26.215  19.266  22.555
  807   2HB   HIS  17          HB1       HIS  17  24.839  20.063  23.307
  808    HD1  HIS  17           HD1      HIS  17  26.393  22.915  23.326
  809    HD2  HIS  17           HD2      HIS  17  25.629  20.498  20.016
  810    HE1  HIS  17           HE1      HIS  17  26.442  24.436  21.302
  811    HE2  HIS  17           HE2      HIS  17  25.979  22.978  19.276
  812    H    ILE  18           HN       ILE  18  27.410  18.043  24.133
  813    HA   ILE  18           HA       ILE  18  25.804  17.041  26.280
  814    HB   ILE  18           HB       ILE  18  26.891  14.922  25.855
  815   1HG1  ILE  18          HG12      ILE  18  28.933  16.614  24.413
  816   2HG1  ILE  18          HG11      ILE  18  29.219  15.529  25.759
  817   1HG2  ILE  18          HG21      ILE  18  25.302  15.984  24.116
  818   2HG2  ILE  18          HG22      ILE  18  26.286  14.639  23.565
  819   3HG2  ILE  18          HG23      ILE  18  26.737  16.294  23.150
  820   1HD1  ILE  18          HD11      ILE  18  30.002  14.327  23.888
  821   2HD1  ILE  18          HD12      ILE  18  28.643  14.827  22.884
  822   3HD1  ILE  18          HD13      ILE  18  28.395  13.655  24.179
  823    H    GLU  19           HN       GLU  19  29.240  17.845  25.940
  824    HA   GLU  19           HA       GLU  19  30.116  16.954  28.452
  825   1HB   GLU  19          HB2       GLU  19  31.655  17.594  26.645
  826   2HB   GLU  19          HB1       GLU  19  31.145  19.269  26.798
  827   1HG   GLU  19          HG2       GLU  19  32.026  19.384  29.067
  828   2HG   GLU  19          HG1       GLU  19  32.427  17.669  29.028
  829    H    MET  20           HN       MET  20  28.680  20.026  27.445
  830    HA   MET  20           HA       MET  20  28.339  20.757  30.309
  831   1HB   MET  20          HB2       MET  20  28.804  22.698  28.029
  832   2HB   MET  20          HB1       MET  20  28.663  23.073  29.745
  833   1HG   MET  20          HG2       MET  20  30.974  23.003  29.663
  834   2HG   MET  20          HG1       MET  20  30.724  21.274  29.852
  835   1HE   MET  20          HE1       MET  20  33.074  23.355  28.244
  836   2HE   MET  20          HE2       MET  20  33.695  22.005  27.299
  837   3HE   MET  20          HE3       MET  20  33.280  21.765  28.995
  838    H    ASN  21           HN       ASN  21  27.008  23.213  28.940
  839    HA   ASN  21           HA       ASN  21  24.635  22.271  27.704
  840   1HB   ASN  21          HB2       ASN  21  23.069  22.676  29.579
  841   2HB   ASN  21          HB1       ASN  21  24.156  21.334  29.913
  842   1HD2  ASN  21          HD21      ASN  21  23.237  22.220  32.204
  843   2HD2  ASN  21          HD22      ASN  21  24.289  23.296  32.990
  844    H    GLN  22           HN       GLN  22  26.168  24.244  26.862
  845    HA   GLN  22           HA       GLN  22  25.764  26.813  27.925
  846   1HB   GLN  22          HB2       GLN  22  27.454  26.220  26.182
  847   2HB   GLN  22          HB1       GLN  22  26.144  26.090  25.007
  848   1HG   GLN  22          HG2       GLN  22  25.544  28.437  25.367
  849   2HG   GLN  22          HG1       GLN  22  26.779  28.579  26.617
  850   1HE2  GLN  22          HE21      GLN  22  28.305  29.959  25.644
  851   2HE2  GLN  22          HE22      GLN  22  29.033  29.658  24.140
  852    H    SER  23           HN       SER  23  23.952  25.007  25.465
  853    HA   SER  23           HA       SER  23  21.435  25.989  26.145
  854   1HB   SER  23          HB2       SER  23  21.881  28.209  25.479
  855   2HB   SER  23          HB1       SER  23  22.939  27.696  24.168
  856    HG   SER  23           HG       SER  23  20.907  28.409  23.408
  857    H    GLU  24           HN       GLU  24  21.572  23.597  25.646
  858    HA   GLU  24           HA       GLU  24  20.299  23.110  23.126
  859   1HB   GLU  24          HB2       GLU  24  22.831  23.246  22.594
  860   2HB   GLU  24          HB1       GLU  24  22.985  21.728  23.463
  861   1HG   GLU  24          HG2       GLU  24  22.698  21.093  21.176
  862   2HG   GLU  24          HG1       GLU  24  21.117  20.830  21.904
  863    H    ASP  25           HN       ASP  25  21.883  20.323  23.648
  864    HA   ASP  25           HA       ASP  25  20.437  19.352  25.981
  865   1HB   ASP  25          HB2       ASP  25  19.773  18.432  23.180
  866   2HB   ASP  25          HB1       ASP  25  19.257  17.598  24.647
  867    H    LYS  26           HN       LYS  26  20.589  16.696  25.572
  868    HA   LYS  26           HA       LYS  26  23.486  16.248  25.579
  869   1HB   LYS  26          HB2       LYS  26  22.061  15.391  27.417
  870   2HB   LYS  26          HB1       LYS  26  21.232  14.359  26.257
  871   1HG   LYS  26          HG2       LYS  26  23.335  13.210  25.727
  872   2HG   LYS  26          HG1       LYS  26  24.223  14.314  26.774
  873   1HD   LYS  26          HD2       LYS  26  23.849  12.253  27.992
  874   2HD   LYS  26          HD1       LYS  26  22.852  13.512  28.713
  875   1HE   LYS  26          HE2       LYS  26  20.856  12.629  27.743
  876   2HE   LYS  26          HE1       LYS  26  21.756  11.632  26.599
  877   1HZ   LYS  26          HZ1       LYS  26  22.193  10.079  28.165
  878   2HZ   LYS  26          HZ2       LYS  26  20.753  10.681  28.836
  879   3HZ   LYS  26          HZ3       LYS  26  22.255  11.196  29.439
  880    H    ILE  27           HN       ILE  27  21.396  13.634  24.667
  881    HA   ILE  27           HA       ILE  27  22.956  13.012  22.395
  882    HB   ILE  27           HB       ILE  27  20.264  12.087  23.410
  883   1HG1  ILE  27          HG12      ILE  27  22.599  11.318  24.315
  884   2HG1  ILE  27          HG11      ILE  27  21.383  10.089  23.999
  885   1HG2  ILE  27          HG21      ILE  27  20.395  10.298  21.526
  886   2HG2  ILE  27          HG22      ILE  27  21.482  11.426  20.714
  887   3HG2  ILE  27          HG23      ILE  27  19.828  11.908  21.081
  888   1HD1  ILE  27          HD11      ILE  27  23.378  10.799  21.834
  889   2HD1  ILE  27          HD12      ILE  27  22.489   9.303  22.081
  890   3HD1  ILE  27          HD13      ILE  27  23.825   9.716  23.144
  891    H    HIS  28           HN       HIS  28  19.815  14.663  22.698
  892    HA   HIS  28           HA       HIS  28  19.292  14.912  19.954
  893   1HB   HIS  28          HB2       HIS  28  18.529  16.661  22.303
  894   2HB   HIS  28          HB1       HIS  28  17.915  16.927  20.674
  895    HD1  HIS  28           HD1      HIS  28  17.810  14.440  23.518
  896    HD2  HIS  28           HD2      HIS  28  15.951  15.080  19.842
  897    HE1  HIS  28           HE1      HIS  28  15.853  12.835  23.416
  898    HE2  HIS  28           HE2      HIS  28  14.709  13.213  21.180
  899    H    ALA  29           HN       ALA  29  21.876  16.167  21.684
  900    HA   ALA  29           HA       ALA  29  22.259  18.730  20.630
  901   1HB   ALA  29          HB1       ALA  29  24.672  18.347  20.992
  902   2HB   ALA  29          HB2       ALA  29  24.349  16.635  21.250
  903   3HB   ALA  29          HB3       ALA  29  23.714  17.832  22.380
  904    H    MET  30           HN       MET  30  23.312  15.584  19.315
  905    HA   MET  30           HA       MET  30  24.492  16.671  16.968
  906   1HB   MET  30          HB2       MET  30  24.025  14.149  16.194
  907   2HB   MET  30          HB1       MET  30  25.263  14.494  17.394
  908   1HG   MET  30          HG2       MET  30  23.882  13.806  19.185
  909   2HG   MET  30          HG1       MET  30  22.416  13.932  18.219
  910   1HE   MET  30          HE1       MET  30  22.134  12.647  15.994
  911   2HE   MET  30          HE2       MET  30  21.245  11.847  17.287
  912   3HE   MET  30          HE3       MET  30  22.156  10.883  16.131
  913    H    ASN  31           HN       ASN  31  21.321  15.103  17.551
  914    HA   ASN  31           HA       ASN  31  20.348  15.296  14.934
  915   1HB   ASN  31          HB2       ASN  31  18.902  15.374  17.592
  916   2HB   ASN  31          HB1       ASN  31  18.070  15.257  16.043
  917   1HD2  ASN  31          HD21      ASN  31  18.358  13.231  18.326
  918   2HD2  ASN  31          HD22      ASN  31  18.952  11.835  17.566
  919    H    SER  32           HN       SER  32  20.114  17.613  17.622
  920    HA   SER  32           HA       SER  32  18.619  19.555  16.151
  921   1HB   SER  32          HB2       SER  32  19.222  21.063  18.008
  922   2HB   SER  32          HB1       SER  32  18.613  19.517  18.590
  923    HG   SER  32           HG       SER  32  21.159  19.150  18.297
  924    H    TYR  33           HN       TYR  33  22.063  19.356  17.069
  925    HA   TYR  33           HA       TYR  33  22.882  21.684  15.692
  926   1HB   TYR  33          HB2       TYR  33  24.253  20.653  17.437
  927   2HB   TYR  33          HB1       TYR  33  24.452  19.204  16.449
  928    HD1  TYR  33           HD2      TYR  33  25.720  19.268  14.345
  929    HD2  TYR  33           HD1      TYR  33  25.528  22.680  16.945
  930    HE1  TYR  33           HE2      TYR  33  27.639  20.295  13.149
  931    HE2  TYR  33           HE1      TYR  33  27.450  23.701  15.754
  932    HH   TYR  33           HH       TYR  33  28.695  23.578  13.820
  933    H    TYR  34           HN       TYR  34  23.112  18.242  14.771
  934    HA   TYR  34           HA       TYR  34  24.282  18.521  12.280
  935   1HB   TYR  34          HB2       TYR  34  23.845  16.346  13.414
  936   2HB   TYR  34          HB1       TYR  34  22.130  16.519  13.029
  937    HD1  TYR  34           HD2      TYR  34  21.338  16.353  10.698
  938    HD2  TYR  34           HD1      TYR  34  25.485  15.861  11.701
  939    HE1  TYR  34           HE2      TYR  34  21.769  15.411   8.445
  940    HE2  TYR  34           HE1      TYR  34  25.917  14.930   9.440
  941    HH   TYR  34           HH       TYR  34  24.191  13.630   7.627
  942    H    ARG  35           HN       ARG  35  20.850  18.664  13.154
  943    HA   ARG  35           HA       ARG  35  19.908  19.087  10.497
  944   1HB   ARG  35          HB2       ARG  35  18.469  18.213  12.277
  945   2HB   ARG  35          HB1       ARG  35  18.609  19.732  13.157
  946   1HG   ARG  35          HG2       ARG  35  17.719  20.088  10.319
  947   2HG   ARG  35          HG1       ARG  35  16.600  19.144  11.294
  948   1HD   ARG  35          HD2       ARG  35  17.673  21.863  12.094
  949   2HD   ARG  35          HD1       ARG  35  16.103  21.583  11.339
  950    HE   ARG  35           HE       ARG  35  16.834  21.026  14.092
  951   1HH1  ARG  35          HH21      ARG  35  14.740  20.274  11.443
  952   2HH1  ARG  35          HH22      ARG  35  13.460  19.675  12.445
  953   1HH2  ARG  35          HH11      ARG  35  15.157  20.256  15.413
  954   2HH2  ARG  35          HH12      ARG  35  13.696  19.665  14.694
  955    H    SER  36           HN       SER  36  20.895  21.222  13.130
  956    HA   SER  36           HA       SER  36  19.948  23.643  12.072
  957   1HB   SER  36          HB2       SER  36  22.411  23.192  13.771
  958   2HB   SER  36          HB1       SER  36  21.589  24.728  13.529
  959    HG   SER  36           HG       SER  36  19.747  23.814  14.492
  960    H    VAL  37           HN       VAL  37  22.952  21.866  11.531
  961    HA   VAL  37           HA       VAL  37  24.144  23.911   9.891
  962    HB   VAL  37           HB       VAL  37  24.778  20.957  10.141
  963   1HG1  VAL  37          HG11      VAL  37  25.728  21.780   8.068
  964   2HG1  VAL  37          HG12      VAL  37  27.033  21.709   9.250
  965   3HG1  VAL  37          HG13      VAL  37  26.288  23.258   8.856
  966   1HG2  VAL  37          HG21      VAL  37  25.018  22.179  12.246
  967   2HG2  VAL  37          HG22      VAL  37  25.963  23.428  11.437
  968   3HG2  VAL  37          HG23      VAL  37  26.603  21.795  11.589
  969    H    VAL  38           HN       VAL  38  22.736  20.712   9.153
  970    HA   VAL  38           HA       VAL  38  22.899  20.762   6.403
  971    HB   VAL  38           HB       VAL  38  20.530  19.750   7.993
  972   1HG1  VAL  38          HG11      VAL  38  21.574  19.112   5.220
  973   2HG1  VAL  38          HG12      VAL  38  20.000  19.772   5.654
  974   3HG1  VAL  38          HG13      VAL  38  20.396  18.106   6.062
  975   1HG2  VAL  38          HG21      VAL  38  21.799  17.995   8.740
  976   2HG2  VAL  38          HG22      VAL  38  23.220  18.925   8.298
  977   3HG2  VAL  38          HG23      VAL  38  22.557  17.740   7.180
  978    H    SER  39           HN       SER  39  20.497  22.346   8.469
  979    HA   SER  39           HA       SER  39  18.776  23.195   6.388
  980   1HB   SER  39          HB2       SER  39  17.934  24.826   8.046
  981   2HB   SER  39          HB1       SER  39  18.068  23.209   8.730
  982    HG   SER  39           HG       SER  39  19.864  25.388   9.020
  983    H    THR  40           HN       THR  40  21.481  24.803   8.045
  984    HA   THR  40           HA       THR  40  21.318  27.217   6.560
  985    HB   THR  40           HB       THR  40  23.771  26.030   7.864
  986    HG1  THR  40           HG1      THR  40  21.493  26.658   8.958
  987   1HG2  THR  40          HG21      THR  40  22.961  28.851   7.119
  988   2HG2  THR  40          HG22      THR  40  24.294  27.917   6.441
  989   3HG2  THR  40          HG23      THR  40  24.358  28.454   8.118
  990    H    LEU  41           HN       LEU  41  23.316  24.315   6.164
  991    HA   LEU  41           HA       LEU  41  24.768  25.233   3.913
  992   1HB   LEU  41          HB2       LEU  41  24.248  22.599   5.228
  993   2HB   LEU  41          HB1       LEU  41  24.882  22.532   3.589
  994    HG   LEU  41           HG       LEU  41  26.654  22.474   5.359
  995   1HD1  LEU  41          HD11      LEU  41  28.143  23.638   4.064
  996   2HD1  LEU  41          HD12      LEU  41  27.168  25.095   3.992
  997   3HD1  LEU  41          HD13      LEU  41  26.799  23.731   2.940
  998   1HD2  LEU  41          HD21      LEU  41  26.049  25.396   5.901
  999   2HD2  LEU  41          HD22      LEU  41  27.065  24.288   6.818
 1000   3HD2  LEU  41          HD23      LEU  41  25.322  24.117   6.863
 1001    H    VAL  42           HN       VAL  42  21.653  23.640   4.221
 1002    HA   VAL  42           HA       VAL  42  21.376  23.354   1.316
 1003    HB   VAL  42           HB       VAL  42  19.516  22.751   3.642
 1004   1HG1  VAL  42          HG11      VAL  42  18.076  23.287   1.793
 1005   2HG1  VAL  42          HG12      VAL  42  18.183  21.529   1.820
 1006   3HG1  VAL  42          HG13      VAL  42  19.120  22.450   0.644
 1007   1HG2  VAL  42          HG21      VAL  42  20.909  20.894   1.675
 1008   2HG2  VAL  42          HG22      VAL  42  20.057  20.443   3.154
 1009   3HG2  VAL  42          HG23      VAL  42  21.588  21.313   3.247
 1010    H    GLN  43           HN       GLN  43  20.169  25.419   3.924
 1011    HA   GLN  43           HA       GLN  43  18.350  26.875   2.226
 1012   1HB   GLN  43          HB2       GLN  43  17.985  26.608   4.672
 1013   2HB   GLN  43          HB1       GLN  43  19.408  27.607   4.970
 1014   1HG   GLN  43          HG2       GLN  43  18.365  29.539   4.019
 1015   2HG   GLN  43          HG1       GLN  43  17.063  28.586   3.315
 1016   1HE2  GLN  43          HE21      GLN  43  15.287  29.485   4.432
 1017   2HE2  GLN  43          HE22      GLN  43  15.132  29.465   6.121
 1018    H    ASP  44           HN       ASP  44  21.635  26.796   2.275
 1019    HA   ASP  44           HA       ASP  44  21.846  29.345   0.883
 1020   1HB   ASP  44          HB2       ASP  44  23.442  28.856   3.411
 1021   2HB   ASP  44          HB1       ASP  44  23.604  30.233   2.327
 1022    H    GLN  45           HN       GLN  45  24.182  29.681   0.184
 1023    HA   GLN  45           HA       GLN  45  25.902  28.886  -1.120
 1024   1HB   GLN  45          HB2       GLN  45  26.614  28.271   1.262
 1025   2HB   GLN  45          HB1       GLN  45  26.055  26.637   0.916
 1026   1HG   GLN  45          HG2       GLN  45  27.630  26.452  -0.933
 1027   2HG   GLN  45          HG1       GLN  45  28.115  28.123  -0.733
 1028   1HE2  GLN  45          HE21      GLN  45  29.979  25.949  -0.585
 1029   2HE2  GLN  45          HE22      GLN  45  30.563  25.867   1.007
 1030    H    LEU  46           HN       LEU  46  23.373  28.118  -2.034
 1031    HA   LEU  46           HA       LEU  46  23.431  25.272  -2.675
 1032   1HB   LEU  46          HB2       LEU  46  21.602  27.494  -3.650
 1033   2HB   LEU  46          HB1       LEU  46  21.414  25.784  -4.020
 1034    HG   LEU  46           HG       LEU  46  21.540  25.609  -1.283
 1035   1HD1  LEU  46          HD11      LEU  46  21.734  28.154  -1.185
 1036   2HD1  LEU  46          HD12      LEU  46  20.464  27.432  -0.199
 1037   3HD1  LEU  46          HD13      LEU  46  20.056  28.213  -1.724
 1038   1HD2  LEU  46          HD21      LEU  46  19.119  26.190  -3.018
 1039   2HD2  LEU  46          HD22      LEU  46  18.994  25.685  -1.338
 1040   3HD2  LEU  46          HD23      LEU  46  19.740  24.618  -2.522
 1041    H    THR  47           HN       THR  47  25.765  26.507  -3.525
 1042    HA   THR  47           HA       THR  47  25.684  27.360  -6.214
 1043    HB   THR  47           HB       THR  47  27.597  27.879  -4.840
 1044    HG1  THR  47           HG1      THR  47  29.241  26.938  -6.226
 1045   1HG2  THR  47          HG21      THR  47  27.438  25.748  -3.458
 1046   2HG2  THR  47          HG22      THR  47  29.066  26.224  -3.933
 1047   3HG2  THR  47          HG23      THR  47  28.242  24.931  -4.794
 1048    H    LYS  48           HN       LYS  48  26.221  24.215  -4.717
 1049    HA   LYS  48           HA       LYS  48  25.280  22.884  -7.105
 1050   1HB   LYS  48          HB2       LYS  48  27.598  23.229  -7.744
 1051   2HB   LYS  48          HB1       LYS  48  28.148  22.594  -6.201
 1052   1HG   LYS  48          HG2       LYS  48  28.366  20.942  -8.044
 1053   2HG   LYS  48          HG1       LYS  48  27.312  20.372  -6.765
 1054   1HD   LYS  48          HD2       LYS  48  25.335  20.830  -8.055
 1055   2HD   LYS  48          HD1       LYS  48  26.253  21.751  -9.248
 1056   1HE   LYS  48          HE2       LYS  48  25.721  19.553 -10.135
 1057   2HE   LYS  48          HE1       LYS  48  27.457  19.632  -9.835
 1058   1HZ   LYS  48          HZ1       LYS  48  25.402  18.392  -8.094
 1059   2HZ   LYS  48          HZ2       LYS  48  27.037  18.572  -7.668
 1060   3HZ   LYS  48          HZ3       LYS  48  26.601  17.584  -8.980
 1061    H    ASN  49           HN       ASN  49  24.244  21.055  -6.567
 1062    HA   ASN  49           HA       ASN  49  23.622  20.304  -4.007
 1063   1HB   ASN  49          HB2       ASN  49  23.851  18.564  -6.461
 1064   2HB   ASN  49          HB1       ASN  49  23.100  18.036  -4.956
 1065   1HD2  ASN  49          HD21      ASN  49  21.617  18.248  -7.415
 1066   2HD2  ASN  49          HD22      ASN  49  20.469  19.483  -7.225
 1067    H    ALA  50           HN       ALA  50  26.329  19.097  -5.991
 1068    HA   ALA  50           HA       ALA  50  27.287  17.180  -4.151
 1069   1HB   ALA  50          HB1       ALA  50  28.955  18.784  -6.089
 1070   2HB   ALA  50          HB2       ALA  50  27.989  17.383  -6.550
 1071   3HB   ALA  50          HB3       ALA  50  29.329  17.199  -5.417
 1072    H    VAL  51           HN       VAL  51  28.318  20.557  -4.697
 1073    HA   VAL  51           HA       VAL  51  30.318  20.746  -2.762
 1074    HB   VAL  51           HB       VAL  51  28.327  22.782  -3.762
 1075   1HG1  VAL  51          HG11      VAL  51  30.028  24.475  -2.709
 1076   2HG1  VAL  51          HG12      VAL  51  30.509  23.129  -1.684
 1077   3HG1  VAL  51          HG13      VAL  51  28.848  23.718  -1.643
 1078   1HG2  VAL  51          HG21      VAL  51  30.195  21.819  -5.244
 1079   2HG2  VAL  51          HG22      VAL  51  31.330  22.657  -4.186
 1080   3HG2  VAL  51          HG23      VAL  51  30.142  23.575  -5.109
 1081    H    VAL  52           HN       VAL  52  26.818  21.271  -2.319
 1082    HA   VAL  52           HA       VAL  52  27.131  21.716   0.517
 1083    HB   VAL  52           HB       VAL  52  24.622  21.668   0.563
 1084   1HG1  VAL  52          HG11      VAL  52  25.956  23.319  -1.616
 1085   2HG1  VAL  52          HG12      VAL  52  25.747  23.776   0.075
 1086   3HG1  VAL  52          HG13      VAL  52  24.341  23.639  -0.979
 1087   1HG2  VAL  52          HG21      VAL  52  24.171  20.029  -1.187
 1088   2HG2  VAL  52          HG22      VAL  52  25.011  21.028  -2.355
 1089   3HG2  VAL  52          HG23      VAL  52  23.484  21.572  -1.689
 1090    H    LEU  53           HN       LEU  53  25.964  19.049  -1.489
 1091    HA   LEU  53           HA       LEU  53  25.149  17.320   0.555
 1092   1HB   LEU  53          HB2       LEU  53  24.692  16.885  -1.824
 1093   2HB   LEU  53          HB1       LEU  53  26.403  16.619  -2.100
 1094    HG   LEU  53           HG       LEU  53  26.355  14.655  -0.592
 1095   1HD1  LEU  53          HD11      LEU  53  23.918  13.841  -0.039
 1096   2HD1  LEU  53          HD12      LEU  53  23.488  15.541  -0.212
 1097   3HD1  LEU  53          HD13      LEU  53  24.673  15.046   0.996
 1098   1HD2  LEU  53          HD21      LEU  53  24.173  14.543  -2.693
 1099   2HD2  LEU  53          HD22      LEU  53  25.133  13.191  -2.092
 1100   3HD2  LEU  53          HD23      LEU  53  25.899  14.460  -3.047
 1101    H    LYS  54           HN       LYS  54  28.349  17.745  -0.917
 1102    HA   LYS  54           HA       LYS  54  29.718  15.658   0.309
 1103   1HB   LYS  54          HB2       LYS  54  30.556  18.445  -0.509
 1104   2HB   LYS  54          HB1       LYS  54  31.721  17.290   0.138
 1105   1HG   LYS  54          HG2       LYS  54  31.452  15.799  -1.691
 1106   2HG   LYS  54          HG1       LYS  54  29.936  16.529  -2.196
 1107   1HD   LYS  54          HD2       LYS  54  31.763  17.195  -3.707
 1108   2HD   LYS  54          HD1       LYS  54  31.122  18.585  -2.837
 1109   1HE   LYS  54          HE2       LYS  54  33.672  18.439  -2.961
 1110   2HE   LYS  54          HE1       LYS  54  32.997  18.648  -1.348
 1111   1HZ   LYS  54          HZ1       LYS  54  33.356  16.423  -0.830
 1112   2HZ   LYS  54          HZ2       LYS  54  34.762  16.865  -1.675
 1113   3HZ   LYS  54          HZ3       LYS  54  33.548  15.963  -2.451
 1114    H    ARG  55           HN       ARG  55  29.100  18.944   1.540
 1115    HA   ARG  55           HA       ARG  55  30.506  18.670   3.963
 1116   1HB   ARG  55          HB2       ARG  55  28.394  20.492   2.885
 1117   2HB   ARG  55          HB1       ARG  55  28.539  20.454   4.639
 1118   1HG   ARG  55          HG2       ARG  55  29.955  22.220   3.649
 1119   2HG   ARG  55          HG1       ARG  55  30.920  21.013   4.485
 1120   1HD   ARG  55          HD2       ARG  55  30.449  20.559   1.564
 1121   2HD   ARG  55          HD1       ARG  55  31.550  21.856   2.005
 1122    HE   ARG  55           HE       ARG  55  32.175  19.488   3.460
 1123   1HH1  ARG  55          HH21      ARG  55  32.298  20.953   0.327
 1124   2HH1  ARG  55          HH22      ARG  55  33.711  20.088  -0.177
 1125   1HH2  ARG  55          HH11      ARG  55  34.037  18.353   2.807
 1126   2HH2  ARG  55          HH12      ARG  55  34.696  18.616   1.228
 1127    H    ILE  56           HN       ILE  56  27.166  17.863   3.081
 1128    HA   ILE  56           HA       ILE  56  26.306  17.214   5.705
 1129    HB   ILE  56           HB       ILE  56  25.309  16.036   3.098
 1130   1HG1  ILE  56          HG12      ILE  56  25.279  18.410   2.820
 1131   2HG1  ILE  56          HG11      ILE  56  23.641  17.932   3.163
 1132   1HG2  ILE  56          HG21      ILE  56  24.416  14.927   5.054
 1133   2HG2  ILE  56          HG22      ILE  56  23.158  15.935   4.341
 1134   3HG2  ILE  56          HG23      ILE  56  24.007  16.474   5.789
 1135   1HD1  ILE  56          HD11      ILE  56  25.605  19.371   4.945
 1136   2HD1  ILE  56          HD12      ILE  56  24.225  18.511   5.632
 1137   3HD1  ILE  56          HD13      ILE  56  23.967  19.834   4.499
 1138    H    GLN  57           HN       GLN  57  27.412  15.124   3.024
 1139    HA   GLN  57           HA       GLN  57  27.295  12.664   4.304
 1140   1HB   GLN  57          HB2       GLN  57  29.329  13.677   2.292
 1141   2HB   GLN  57          HB1       GLN  57  29.115  11.982   2.731
 1142   1HG   GLN  57          HG2       GLN  57  26.777  12.066   1.969
 1143   2HG   GLN  57          HG1       GLN  57  26.970  13.769   1.558
 1144   1HE2  GLN  57          HE21      GLN  57  27.131  10.659   0.244
 1145   2HE2  GLN  57          HE22      GLN  57  28.067  11.017  -1.126
 1146    H    HIS  58           HN       HIS  58  29.990  15.005   4.248
 1147    HA   HIS  58           HA       HIS  58  31.718  13.480   5.906
 1148   1HB   HIS  58          HB2       HIS  58  31.634  16.468   5.414
 1149   2HB   HIS  58          HB1       HIS  58  32.975  15.587   6.144
 1150    HD1  HIS  58           HD1      HIS  58  33.676  17.025   3.610
 1151    HD2  HIS  58           HD2      HIS  58  32.082  13.172   3.570
 1152    HE1  HIS  58           HE1      HIS  58  34.317  16.006   1.381
 1153    HE2  HIS  58           HE2      HIS  58  33.354  13.655   1.344
 1154    H    LEU  59           HN       LEU  59  29.449  16.136   6.565
 1155    HA   LEU  59           HA       LEU  59  29.978  16.544   9.254
 1156   1HB   LEU  59          HB2       LEU  59  28.348  17.867   7.863
 1157   2HB   LEU  59          HB1       LEU  59  27.213  16.533   8.008
 1158    HG   LEU  59           HG       LEU  59  27.327  16.781  10.508
 1159   1HD1  LEU  59          HD11      LEU  59  29.293  17.843  11.115
 1160   2HD1  LEU  59          HD12      LEU  59  28.194  19.209  11.158
 1161   3HD1  LEU  59          HD13      LEU  59  29.243  18.979   9.767
 1162   1HD2  LEU  59          HD21      LEU  59  25.522  17.789   9.189
 1163   2HD2  LEU  59          HD22      LEU  59  26.486  19.254   8.991
 1164   3HD2  LEU  59          HD23      LEU  59  25.925  18.776  10.592
 1165    H    ASP  60           HN       ASP  60  28.357  13.878   7.705
 1166    HA   ASP  60           HA       ASP  60  26.876  12.791   9.780
 1167   1HB   ASP  60          HB2       ASP  60  27.003  11.944   7.408
 1168   2HB   ASP  60          HB1       ASP  60  28.550  11.207   7.817
 1169    H    GLU  61           HN       GLU  61  30.341  12.386   9.090
 1170    HA   GLU  61           HA       GLU  61  31.021  10.533  11.032
 1171   1HB   GLU  61          HB2       GLU  61  33.258  11.257  10.761
 1172   2HB   GLU  61          HB1       GLU  61  32.491  11.717   9.241
 1173   1HG   GLU  61          HG2       GLU  61  32.072  14.026  10.400
 1174   2HG   GLU  61          HG1       GLU  61  33.257  13.488  11.575
 1175    H    ALA  62           HN       ALA  62  30.149  13.898  11.434
 1176    HA   ALA  62           HA       ALA  62  31.187  14.219  14.069
 1177   1HB   ALA  62          HB1       ALA  62  29.939  16.256  14.127
 1178   2HB   ALA  62          HB2       ALA  62  28.809  15.682  12.901
 1179   3HB   ALA  62          HB3       ALA  62  30.472  16.062  12.456
 1180    H    TYR  63           HN       TYR  63  27.769  13.913  13.028
 1181    HA   TYR  63           HA       TYR  63  26.609  13.547  15.477
 1182   1HB   TYR  63          HB2       TYR  63  24.734  13.206  14.180
 1183   2HB   TYR  63          HB1       TYR  63  25.789  13.262  12.778
 1184    HD1  TYR  63           HD2      TYR  63  24.393  10.943  15.358
 1185    HD2  TYR  63           HD1      TYR  63  26.088  11.299  11.445
 1186    HE1  TYR  63           HE2      TYR  63  23.924   8.548  14.947
 1187    HE2  TYR  63           HE1      TYR  63  25.632   8.899  11.023
 1188    HH   TYR  63           HH       TYR  63  24.260   6.825  13.563
 1189    H    ASN  64           HN       ASN  64  28.055  11.060  13.388
 1190    HA   ASN  64           HA       ASN  64  27.479   8.812  14.950
 1191   1HB   ASN  64          HB2       ASN  64  28.298   8.672  12.630
 1192   2HB   ASN  64          HB1       ASN  64  29.866   9.287  13.152
 1193   1HD2  ASN  64          HD21      ASN  64  30.473   7.016  12.153
 1194   2HD2  ASN  64          HD22      ASN  64  30.463   5.706  13.233
 1195    H    LYS  65           HN       LYS  65  30.103  11.151  15.091
 1196    HA   LYS  65           HA       LYS  65  31.758   9.766  16.879
 1197   1HB   LYS  65          HB2       LYS  65  32.257  11.932  15.549
 1198   2HB   LYS  65          HB1       LYS  65  31.469  12.778  16.877
 1199   1HG   LYS  65          HG2       LYS  65  33.682  12.797  17.665
 1200   2HG   LYS  65          HG1       LYS  65  33.134  11.292  18.385
 1201   1HD   LYS  65          HD2       LYS  65  34.087  10.039  16.465
 1202   2HD   LYS  65          HD1       LYS  65  34.639  11.558  15.757
 1203   1HE   LYS  65          HE2       LYS  65  36.492  10.551  16.968
 1204   2HE   LYS  65          HE1       LYS  65  35.959  11.985  17.847
 1205   1HZ   LYS  65          HZ1       LYS  65  36.289   9.657  19.024
 1206   2HZ   LYS  65          HZ2       LYS  65  34.679   9.453  18.520
 1207   3HZ   LYS  65          HZ3       LYS  65  35.100  10.758  19.523
 1208    H    VAL  66           HN       VAL  66  28.912  11.760  17.385
 1209    HA   VAL  66           HA       VAL  66  29.209  12.018  20.217
 1210    HB   VAL  66           HB       VAL  66  26.699  12.268  18.506
 1211   1HG1  VAL  66          HG11      VAL  66  27.349  13.138  21.335
 1212   2HG1  VAL  66          HG12      VAL  66  26.106  11.991  20.840
 1213   3HG1  VAL  66          HG13      VAL  66  25.941  13.699  20.432
 1214   1HG2  VAL  66          HG21      VAL  66  27.237  14.714  18.731
 1215   2HG2  VAL  66          HG22      VAL  66  28.410  13.820  17.766
 1216   3HG2  VAL  66          HG23      VAL  66  28.791  14.266  19.431
 1217    H    LYS  67           HN       LYS  67  27.181   9.921  18.183
 1218    HA   LYS  67           HA       LYS  67  26.148   8.384  20.369
 1219   1HB   LYS  67          HB2       LYS  67  26.244   7.830  17.425
 1220   2HB   LYS  67          HB1       LYS  67  25.259   6.994  18.614
 1221   1HG   LYS  67          HG2       LYS  67  24.879   9.860  18.967
 1222   2HG   LYS  67          HG1       LYS  67  24.661   9.458  17.281
 1223   1HD   LYS  67          HD2       LYS  67  23.264   7.995  19.531
 1224   2HD   LYS  67          HD1       LYS  67  22.569   9.411  18.737
 1225   1HE   LYS  67          HE2       LYS  67  22.310   8.273  16.667
 1226   2HE   LYS  67          HE1       LYS  67  23.437   6.993  17.109
 1227   1HZ   LYS  67          HZ1       LYS  67  21.825   5.846  18.097
 1228   2HZ   LYS  67          HZ2       LYS  67  20.725   6.895  17.339
 1229   3HZ   LYS  67          HZ3       LYS  67  21.234   7.199  18.931
 1230    H    ARG  68           HN       ARG  68  28.978   8.273  18.466
 1231    HA   ARG  68           HA       ARG  68  29.765   5.718  18.230
 1232   1HB   ARG  68          HB2       ARG  68  31.191   7.640  17.667
 1233   2HB   ARG  68          HB1       ARG  68  31.469   7.950  19.370
 1234   1HG   ARG  68          HG2       ARG  68  33.352   6.763  18.387
 1235   2HG   ARG  68          HG1       ARG  68  32.563   5.740  19.571
 1236   1HD   ARG  68          HD2       ARG  68  31.747   5.527  16.671
 1237   2HD   ARG  68          HD1       ARG  68  33.220   4.736  17.218
 1238    HE   ARG  68           HE       ARG  68  31.212   3.998  19.009
 1239   1HH1  ARG  68          HH21      ARG  68  31.935   3.756  15.634
 1240   2HH1  ARG  68          HH22      ARG  68  31.125   2.239  15.426
 1241   1HH2  ARG  68          HH11      ARG  68  30.160   2.000  18.749
 1242   2HH2  ARG  68          HH12      ARG  68  30.120   1.244  17.190
 1243    H    GLY  69           HN       GLY  69  29.313   7.439  21.214
 1244   1HA   GLY  69          HA2       GLY  69  28.806   5.433  22.885
 1245   2HA   GLY  69          HA1       GLY  69  30.563   5.381  22.848
 1246    H    GLU  70           HN       GLU  70  27.907   7.723  23.245
 1247    HA   GLU  70           HA       GLU  70  29.535   9.171  25.278
 1248   1HB   GLU  70          HB2       GLU  70  27.406  10.104  23.325
 1249   2HB   GLU  70          HB1       GLU  70  27.877  11.072  24.723
 1250   1HG   GLU  70          HG2       GLU  70  29.895  10.044  22.697
 1251   2HG   GLU  70          HG1       GLU  70  29.137  11.633  22.586
 1252    H    SER  71           HN       SER  71  26.531   7.517  24.621
 1253    HA   SER  71           HA       SER  71  25.254   8.407  27.056
 1254   1HB   SER  71          HB2       SER  71  24.502   6.224  25.112
 1255   2HB   SER  71          HB1       SER  71  23.494   6.787  26.441
 1256    HG   SER  71           HG       SER  71  23.779   8.930  25.423
 1257    H    LYS  72           HN       LYS  72  27.645   6.217  26.344
 1258    HA   LYS  72           HA       LYS  72  26.934   4.187  28.290
 1259   1HB   LYS  72          HB2       LYS  72  29.426   4.765  26.684
 1260   2HB   LYS  72          HB1       LYS  72  29.276   3.393  27.784
 1261   1HG   LYS  72          HG2       LYS  72  27.298   2.608  26.502
 1262   2HG   LYS  72          HG1       LYS  72  27.514   3.952  25.380
 1263   1HD   LYS  72          HD2       LYS  72  29.736   3.119  24.768
 1264   2HD   LYS  72          HD1       LYS  72  29.581   1.803  25.931
 1265   1HE   LYS  72          HE2       LYS  72  29.032   0.977  23.699
 1266   2HE   LYS  72          HE1       LYS  72  27.575   0.991  24.695
 1267   1HZ   LYS  72          HZ1       LYS  72  26.900   3.042  23.698
 1268   2HZ   LYS  72          HZ2       LYS  72  27.240   1.932  22.458
 1269   3HZ   LYS  72          HZ3       LYS  72  28.350   3.164  22.828
 1270    H    LEU  73           HN       LEU  73  26.755   5.132  30.280
 1271    HA   LEU  73           HA       LEU  73  28.621   7.024  31.325
 1272   1HB   LEU  73          HB2       LEU  73  27.578   6.450  33.524
 1273   2HB   LEU  73          HB1       LEU  73  26.426   6.927  32.281
 1274    HG   LEU  73           HG       LEU  73  26.922   4.001  32.210
 1275   1HD1  LEU  73          HD11      LEU  73  27.274   4.177  34.599
 1276   2HD1  LEU  73          HD12      LEU  73  25.681   3.475  34.300
 1277   3HD1  LEU  73          HD13      LEU  73  25.820   5.165  34.781
 1278   1HD2  LEU  73          HD21      LEU  73  25.009   5.233  31.129
 1279   2HD2  LEU  73          HD22      LEU  73  24.357   5.532  32.740
 1280   3HD2  LEU  73          HD23      LEU  73  24.513   3.880  32.146
 1281    H    GLU  74           HN       GLU  74  30.548   5.744  30.575
 1282    HA   GLU  74           HA       GLU  74  31.367   3.318  31.640
 1283   1HB   GLU  74          HB2       GLU  74  33.073   5.744  31.032
 1284   2HB   GLU  74          HB1       GLU  74  33.676   4.101  31.246
 1285   1HG   GLU  74          HG2       GLU  74  32.203   3.378  29.347
 1286   2HG   GLU  74          HG1       GLU  74  31.759   5.062  29.113
 1287    H    HIS  75           HN       HIS  75  33.541   5.680  32.778
 1288    HA   HIS  75           HA       HIS  75  32.584   5.490  35.577
 1289   1HB   HIS  75          HB2       HIS  75  34.217   3.660  35.197
 1290   2HB   HIS  75          HB1       HIS  75  35.415   4.859  34.709
 1291    HD1  HIS  75           HD1      HIS  75  33.297   3.892  37.710
 1292    HD2  HIS  75           HD2      HIS  75  36.726   6.101  36.848
 1293    HE1  HIS  75           HE1      HIS  75  34.291   4.571  39.939
 1294    HE2  HIS  75           HE2      HIS  75  36.382   5.918  39.431
 1295    H    HIS  76           HN       HIS  76  32.294   7.540  36.122
 1296    HA   HIS  76           HA       HIS  76  32.638   9.799  36.382
 1297   1HB   HIS  76          HB2       HIS  76  35.512   8.831  36.366
 1298   2HB   HIS  76          HB1       HIS  76  35.003  10.444  36.861
 1299    HD1  HIS  76           HD1      HIS  76  33.198   7.208  37.674
 1300    HD2  HIS  76           HD2      HIS  76  35.349  10.197  39.627
 1301    HE1  HIS  76           HE1      HIS  76  32.963   6.756  40.155
 1302    HE2  HIS  76           HE2      HIS  76  34.268   8.571  41.359
 1303    H    HIS  77           HN       HIS  77  33.982  11.735  35.443
 1304    HA   HIS  77           HA       HIS  77  33.433  11.867  32.673
 1305   1HB   HIS  77          HB2       HIS  77  33.489  13.849  34.150
 1306   2HB   HIS  77          HB1       HIS  77  35.231  13.650  34.333
 1307    HD1  HIS  77           HD1      HIS  77  32.675  14.166  31.549
 1308    HD2  HIS  77           HD2      HIS  77  36.701  14.900  32.344
 1309    HE1  HIS  77           HE1      HIS  77  33.562  15.497  29.585
 1310    HE2  HIS  77           HE2      HIS  77  36.016  15.952  30.055
 1311    H    HIS  78           HN       HIS  78  36.432  11.359  34.487
 1312    HA   HIS  78           HA       HIS  78  37.685  10.222  32.076
 1313   1HB   HIS  78          HB2       HIS  78  38.327  12.607  32.076
 1314   2HB   HIS  78          HB1       HIS  78  38.965  12.435  33.708
 1315    HD1  HIS  78           HD1      HIS  78  39.422  10.698  30.336
 1316    HD2  HIS  78           HD2      HIS  78  41.655  11.793  33.682
 1317    HE1  HIS  78           HE1      HIS  78  41.814  10.019  29.854
 1318    HE2  HIS  78           HE2      HIS  78  43.188  10.680  31.885
 1319    H    HIS  79           HN       HIS  79  39.230  11.271  35.072
 1320    HA   HIS  79           HA       HIS  79  39.174   8.612  36.246
 1321   1HB   HIS  79          HB2       HIS  79  41.738   9.779  35.118
 1322   2HB   HIS  79          HB1       HIS  79  41.687   8.435  36.258
 1323    HD1  HIS  79           HD1      HIS  79  40.961   9.321  32.687
 1324    HD2  HIS  79           HD2      HIS  79  40.673   5.990  35.177
 1325    HE1  HIS  79           HE1      HIS  79  40.521   7.335  31.179
 1326    HE2  HIS  79           HE2      HIS  79  40.343   5.296  32.681
 1327    H    HIS  80           HN       HIS  80  40.558  11.878  36.251
 1328    HA   HIS  80           HA       HIS  80  41.424  11.889  38.942
 1329   1HB   HIS  80          HB2       HIS  80  41.421  14.345  38.706
 1330   2HB   HIS  80          HB1       HIS  80  42.167  13.562  37.312
 1331    HD1  HIS  80           HD1      HIS  80  39.049  12.720  36.395
 1332    HD2  HIS  80           HD2      HIS  80  40.736  16.507  36.838
 1333    HE1  HIS  80           HE1      HIS  80  37.657  14.293  34.981
 1334    HE2  HIS  80           HE2      HIS  80  38.672  16.606  35.240
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1  -3.631   6.168  -6.271
    2   2H    MET   1          HT2       MET   1  -3.567   4.855  -7.346
    3   3H    MET   1          HT3       MET   1  -4.152   6.360  -7.873
    4    HA   MET   1           HA       MET   1  -1.409   5.457  -7.486
    5   1HB   MET   1          HB2       MET   1  -2.823   7.397  -9.337
    6   2HB   MET   1          HB1       MET   1  -1.107   7.009  -9.427
    7   1HG   MET   1          HG2       MET   1  -3.301   4.922  -9.600
    8   2HG   MET   1          HG1       MET   1  -2.572   5.679 -11.012
    9   1HE   MET   1          HE1       MET   1   0.184   5.901 -11.093
   10   2HE   MET   1          HE2       MET   1  -0.613   4.788 -12.199
   11   3HE   MET   1          HE3       MET   1   0.864   4.294 -11.375
   12    H    SER   2           HN       SER   2  -3.538   8.066  -6.592
   13    HA   SER   2           HA       SER   2  -1.659  10.111  -6.152
   14   1HB   SER   2          HB2       SER   2  -4.093  10.485  -6.134
   15   2HB   SER   2          HB1       SER   2  -4.225   9.546  -4.649
   16    HG   SER   2           HG       SER   2  -3.591  11.238  -3.588
   17    H    GLU   3           HN       GLU   3  -2.838   7.518  -4.031
   18    HA   GLU   3           HA       GLU   3  -1.608   8.237  -1.649
   19   1HB   GLU   3          HB2       GLU   3  -1.565   5.787  -1.147
   20   2HB   GLU   3          HB1       GLU   3  -3.125   6.348  -1.748
   21   1HG   GLU   3          HG2       GLU   3  -2.510   5.588  -4.025
   22   2HG   GLU   3          HG1       GLU   3  -0.973   4.991  -3.404
   23    H    LEU   4           HN       LEU   4   0.382   7.825  -0.706
   24    HA   LEU   4           HA       LEU   4   2.622   7.405  -0.569
   25   1HB   LEU   4          HB2       LEU   4   1.829   5.346  -2.093
   26   2HB   LEU   4          HB1       LEU   4   2.765   6.189  -3.321
   27    HG   LEU   4           HG       LEU   4   3.763   5.318  -0.597
   28   1HD1  LEU   4          HD11      LEU   4   5.194   3.776  -1.970
   29   2HD1  LEU   4          HD12      LEU   4   4.292   4.278  -3.400
   30   3HD1  LEU   4          HD13      LEU   4   3.471   3.425  -2.092
   31   1HD2  LEU   4          HD21      LEU   4   4.951   7.312  -1.182
   32   2HD2  LEU   4          HD22      LEU   4   5.084   6.831  -2.874
   33   3HD2  LEU   4          HD23      LEU   4   6.018   5.986  -1.640
   34    H    PHE   5           HN       PHE   5   1.853   8.111  -3.982
   35    HA   PHE   5           HA       PHE   5   4.126   9.685  -4.490
   36   1HB   PHE   5          HB2       PHE   5   1.379   9.575  -5.752
   37   2HB   PHE   5          HB1       PHE   5   2.632  10.655  -6.364
   38    HD1  PHE   5           HD1      PHE   5   1.729   7.096  -5.774
   39    HD2  PHE   5           HD2      PHE   5   4.520   9.801  -7.598
   40    HE1  PHE   5           HE1      PHE   5   2.734   5.209  -7.030
   41    HE2  PHE   5           HE2      PHE   5   5.528   7.914  -8.853
   42    HZ   PHE   5           HZ       PHE   5   4.635   5.619  -8.569
   43    H    SER   6           HN       SER   6   0.907  10.557  -3.310
   44    HA   SER   6           HA       SER   6   1.368  13.371  -3.328
   45   1HB   SER   6          HB2       SER   6  -0.800  13.508  -2.496
   46   2HB   SER   6          HB1       SER   6  -0.846  11.875  -3.111
   47    HG   SER   6           HG       SER   6  -1.514  12.285  -0.820
   48    H    VAL   7           HN       VAL   7   2.050  14.732  -1.716
   49    HA   VAL   7           HA       VAL   7   3.845  13.679   0.235
   50    HB   VAL   7           HB       VAL   7   2.697  16.475   0.297
   51   1HG1  VAL   7          HG11      VAL   7   4.825  17.063   1.220
   52   2HG1  VAL   7          HG12      VAL   7   5.431  15.432   0.970
   53   3HG1  VAL   7          HG13      VAL   7   4.155  15.725   2.142
   54   1HG2  VAL   7          HG21      VAL   7   4.860  15.389  -1.521
   55   2HG2  VAL   7          HG22      VAL   7   4.518  17.103  -1.277
   56   3HG2  VAL   7          HG23      VAL   7   3.307  16.060  -2.016
   57    HA   PRO   8           HA       PRO   8   0.131  15.086   3.216
   58   1HB   PRO   8          HB2       PRO   8  -1.978  13.801   1.488
   59   2HB   PRO   8          HB1       PRO   8  -2.114  15.208   2.561
   60   1HG   PRO   8          HG2       PRO   8  -1.980  15.505  -0.086
   61   2HG   PRO   8          HG1       PRO   8  -1.166  16.647   1.005
   62   1HD   PRO   8          HD2       PRO   8   0.026  14.479  -0.656
   63   2HD   PRO   8          HD1       PRO   8   0.709  16.031  -0.222
   64    H    TYR   9           HN       TYR   9   0.568  12.220   1.258
   65    HA   TYR   9           HA       TYR   9  -0.581  10.336   3.074
   66   1HB   TYR   9          HB2       TYR   9  -0.237   9.847   0.675
   67   2HB   TYR   9          HB1       TYR   9   1.508   9.909   0.916
   68    HD1  TYR   9           HD2      TYR   9  -1.600   8.077   1.772
   69    HD2  TYR   9           HD1      TYR   9   2.691   8.079   1.988
   70    HE1  TYR   9           HE2      TYR   9  -1.636   5.709   2.511
   71    HE2  TYR   9           HE1      TYR   9   2.654   5.712   2.726
   72    HH   TYR   9           HH       TYR   9   1.392   3.949   3.194
   73    H    PHE  10           HN       PHE  10   2.688  11.568   2.522
   74    HA   PHE  10           HA       PHE  10   4.028   9.846   4.322
   75   1HB   PHE  10          HB2       PHE  10   4.654  12.225   2.725
   76   2HB   PHE  10          HB1       PHE  10   5.467  12.303   4.281
   77    HD1  PHE  10           HD1      PHE  10   4.626   9.577   1.827
   78    HD2  PHE  10           HD2      PHE  10   7.685  11.492   4.160
   79    HE1  PHE  10           HE1      PHE  10   6.292   7.938   0.993
   80    HE2  PHE  10           HE2      PHE  10   9.338   9.853   3.323
   81    HZ   PHE  10           HZ       PHE  10   8.655   8.079   1.746
   82    H    ILE  11           HN       ILE  11   2.684  13.105   4.753
   83    HA   ILE  11           HA       ILE  11   3.450  13.389   7.445
   84    HB   ILE  11           HB       ILE  11   1.192  14.635   5.859
   85   1HG1  ILE  11          HG12      ILE  11   3.826  15.816   6.774
   86   2HG1  ILE  11          HG11      ILE  11   3.630  15.072   5.195
   87   1HG2  ILE  11          HG21      ILE  11   0.583  14.818   8.205
   88   2HG2  ILE  11          HG22      ILE  11   1.250  16.365   7.714
   89   3HG2  ILE  11          HG23      ILE  11   2.240  15.247   8.643
   90   1HD1  ILE  11          HD11      ILE  11   1.833  16.672   4.657
   91   2HD1  ILE  11          HD12      ILE  11   3.321  17.523   5.073
   92   3HD1  ILE  11          HD13      ILE  11   2.011  17.410   6.247
   93    H    GLU  12           HN       GLU  12   0.512  12.121   5.933
   94    HA   GLU  12           HA       GLU  12  -1.131  11.819   8.116
   95   1HB   GLU  12          HB2       GLU  12  -1.678  11.266   5.717
   96   2HB   GLU  12          HB1       GLU  12  -0.809   9.746   5.930
   97   1HG   GLU  12          HG2       GLU  12  -2.310   9.143   7.782
   98   2HG   GLU  12          HG1       GLU  12  -3.164  10.671   7.585
   99    H    ASN  13           HN       ASN  13   1.773  10.077   7.355
  100    HA   ASN  13           HA       ASN  13   1.309   7.866   9.142
  101   1HB   ASN  13          HB2       ASN  13   2.825   7.726   7.190
  102   2HB   ASN  13          HB1       ASN  13   3.901   8.883   7.969
  103   1HD2  ASN  13          HD21      ASN  13   3.924   5.748   7.369
  104   2HD2  ASN  13          HD22      ASN  13   4.533   5.121   8.824
  105    H    LEU  14           HN       LEU  14   2.951  10.985   9.320
  106    HA   LEU  14           HA       LEU  14   4.249  10.620  11.806
  107   1HB   LEU  14          HB2       LEU  14   3.218  13.223  10.656
  108   2HB   LEU  14          HB1       LEU  14   4.538  13.014  11.809
  109    HG   LEU  14           HG       LEU  14   4.514  11.916   8.984
  110   1HD1  LEU  14          HD11      LEU  14   5.970  13.663   8.345
  111   2HD1  LEU  14          HD12      LEU  14   6.197  14.209   9.998
  112   3HD1  LEU  14          HD13      LEU  14   4.646  14.450   9.195
  113   1HD2  LEU  14          HD21      LEU  14   7.043  11.728   9.548
  114   2HD2  LEU  14          HD22      LEU  14   5.961  10.512  10.195
  115   3HD2  LEU  14          HD23      LEU  14   6.535  11.821  11.229
  116    H    LYS  15           HN       LYS  15   1.043  11.812  10.938
  117    HA   LYS  15           HA       LYS  15   0.239  12.793  13.400
  118   1HB   LYS  15          HB2       LYS  15  -1.351  11.406  11.243
  119   2HB   LYS  15          HB1       LYS  15  -2.078  12.202  12.638
  120   1HG   LYS  15          HG2       LYS  15  -1.041  14.329  12.006
  121   2HG   LYS  15          HG1       LYS  15  -0.227  13.549  10.653
  122   1HD   LYS  15          HD2       LYS  15  -2.185  14.666   9.786
  123   2HD   LYS  15          HD1       LYS  15  -2.475  12.933   9.726
  124   1HE   LYS  15          HE2       LYS  15  -3.970  13.004  11.582
  125   2HE   LYS  15          HE1       LYS  15  -3.411  14.604  12.076
  126   1HZ   LYS  15          HZ1       LYS  15  -4.673  15.612  10.523
  127   2HZ   LYS  15          HZ2       LYS  15  -5.607  14.200  10.669
  128   3HZ   LYS  15          HZ3       LYS  15  -4.499  14.360   9.391
  129    H    GLN  16           HN       GLN  16   0.345   9.484  12.186
  130    HA   GLN  16           HA       GLN  16  -1.093   8.268  14.314
  131   1HB   GLN  16          HB2       GLN  16  -0.625   7.193  12.105
  132   2HB   GLN  16          HB1       GLN  16   1.062   7.024  12.589
  133   1HG   GLN  16          HG2       GLN  16   0.384   5.659  14.526
  134   2HG   GLN  16          HG1       GLN  16  -1.308   5.853  14.081
  135   1HE2  GLN  16          HE21      GLN  16  -0.066   3.273  14.245
  136   2HE2  GLN  16          HE22      GLN  16  -0.011   2.616  12.682
  137    H    HIS  17           HN       HIS  17   2.261   9.206  13.902
  138    HA   HIS  17           HA       HIS  17   3.310   7.718  16.085
  139   1HB   HIS  17          HB2       HIS  17   4.319  10.301  14.865
  140   2HB   HIS  17          HB1       HIS  17   5.232   9.248  15.938
  141    HD1  HIS  17           HD1      HIS  17   3.796   6.658  14.450
  142    HD2  HIS  17           HD2      HIS  17   6.222   9.601  12.764
  143    HE1  HIS  17           HE1      HIS  17   4.792   5.650  12.351
  144    HE2  HIS  17           HE2      HIS  17   6.273   7.432  11.312
  145    H    ILE  18           HN       ILE  18   2.357  11.150  15.820
  146    HA   ILE  18           HA       ILE  18   2.683  11.643  18.632
  147    HB   ILE  18           HB       ILE  18   1.723  13.834  18.149
  148   1HG1  ILE  18          HG12      ILE  18   1.015  12.549  15.502
  149   2HG1  ILE  18          HG11      ILE  18  -0.091  13.285  16.650
  150   1HG2  ILE  18          HG21      ILE  18   3.492  13.081  15.802
  151   2HG2  ILE  18          HG22      ILE  18   4.113  13.177  17.449
  152   3HG2  ILE  18          HG23      ILE  18   3.438  14.609  16.681
  153   1HD1  ILE  18          HD11      ILE  18   0.121  14.919  14.968
  154   2HD1  ILE  18          HD12      ILE  18   1.855  14.651  14.801
  155   3HD1  ILE  18          HD13      ILE  18   1.225  15.475  16.229
  156    H    GLU  19           HN       GLU  19  -0.120  11.171  16.495
  157    HA   GLU  19           HA       GLU  19  -2.079  11.463  18.538
  158   1HB   GLU  19          HB2       GLU  19  -2.482  11.613  16.038
  159   2HB   GLU  19          HB1       GLU  19  -2.371   9.858  15.983
  160   1HG   GLU  19          HG2       GLU  19  -4.324  11.301  17.806
  161   2HG   GLU  19          HG1       GLU  19  -4.736  10.837  16.159
  162    H    MET  20           HN       MET  20  -0.652   8.588  16.998
  163    HA   MET  20           HA       MET  20  -1.813   6.872  19.085
  164   1HB   MET  20          HB2       MET  20  -1.466   6.504  16.352
  165   2HB   MET  20          HB1       MET  20  -0.139   5.565  17.007
  166   1HG   MET  20          HG2       MET  20  -2.003   4.065  16.870
  167   2HG   MET  20          HG1       MET  20  -1.865   4.494  18.576
  168   1HE   MET  20          HE1       MET  20  -3.439   5.956  15.218
  169   2HE   MET  20          HE2       MET  20  -5.126   5.612  15.582
  170   3HE   MET  20          HE3       MET  20  -3.965   4.292  15.511
  171    H    ASN  21           HN       ASN  21   0.057   4.862  19.106
  172    HA   ASN  21           HA       ASN  21   2.635   5.974  19.897
  173   1HB   ASN  21          HB2       ASN  21   1.149   6.297  21.886
  174   2HB   ASN  21          HB1       ASN  21   0.887   4.553  21.922
  175   1HD2  ASN  21          HD21      ASN  21   2.043   4.115  23.887
  176   2HD2  ASN  21          HD22      ASN  21   3.714   4.369  24.037
  177    H    GLN  22           HN       GLN  22   1.988   4.195  17.839
  178    HA   GLN  22           HA       GLN  22   2.068   1.478  18.471
  179   1HB   GLN  22          HB2       GLN  22   1.681   2.458  16.182
  180   2HB   GLN  22          HB1       GLN  22   3.409   2.775  16.083
  181   1HG   GLN  22          HG2       GLN  22   2.980   0.681  14.954
  182   2HG   GLN  22          HG1       GLN  22   3.808   0.305  16.459
  183   1HE2  GLN  22          HE21      GLN  22   2.874  -1.761  16.900
  184   2HE2  GLN  22          HE22      GLN  22   1.209  -1.994  17.130
  185    H    SER  23           HN       SER  23   4.782   3.639  17.668
  186    HA   SER  23           HA       SER  23   6.519   2.556  19.625
  187   1HB   SER  23          HB2       SER  23   8.128   1.442  18.034
  188   2HB   SER  23          HB1       SER  23   6.618   0.569  18.254
  189    HG   SER  23           HG       SER  23   7.350   0.878  16.026
  190    H    GLU  24           HN       GLU  24   6.351   5.010  19.603
  191    HA   GLU  24           HA       GLU  24   8.775   6.060  18.492
  192   1HB   GLU  24          HB2       GLU  24   6.969   6.104  16.577
  193   2HB   GLU  24          HB1       GLU  24   6.304   7.471  17.458
  194   1HG   GLU  24          HG2       GLU  24   7.823   8.421  15.863
  195   2HG   GLU  24          HG1       GLU  24   8.674   8.477  17.406
  196    H    ASP  25           HN       ASP  25   7.189   8.759  18.486
  197    HA   ASP  25           HA       ASP  25   6.620   9.128  21.330
  198   1HB   ASP  25          HB2       ASP  25   9.000  10.440  19.978
  199   2HB   ASP  25          HB1       ASP  25   8.365  10.896  21.563
  200    H    LYS  26           HN       LYS  26   6.818  11.844  21.440
  201    HA   LYS  26           HA       LYS  26   4.593  12.634  19.721
  202   1HB   LYS  26          HB2       LYS  26   4.688  13.157  22.167
  203   2HB   LYS  26          HB1       LYS  26   6.035  14.236  21.839
  204   1HG   LYS  26          HG2       LYS  26   4.635  15.613  20.380
  205   2HG   LYS  26          HG1       LYS  26   3.308  14.464  20.524
  206   1HD   LYS  26          HD2       LYS  26   2.956  16.409  22.005
  207   2HD   LYS  26          HD1       LYS  26   3.134  14.925  22.936
  208   1HE   LYS  26          HE2       LYS  26   4.437  17.025  23.748
  209   2HE   LYS  26          HE1       LYS  26   5.322  15.507  23.664
  210   1HZ   LYS  26          HZ1       LYS  26   5.305  17.649  21.607
  211   2HZ   LYS  26          HZ2       LYS  26   6.120  16.166  21.461
  212   3HZ   LYS  26          HZ3       LYS  26   6.585  17.280  22.657
  213    H    ILE  27           HN       ILE  27   6.763  15.160  20.585
  214    HA   ILE  27           HA       ILE  27   7.032  16.034  17.908
  215    HB   ILE  27           HB       ILE  27   8.365  16.808  20.500
  216   1HG1  ILE  27          HG12      ILE  27   5.949  17.523  19.741
  217   2HG1  ILE  27          HG11      ILE  27   7.018  18.749  20.406
  218   1HG2  ILE  27          HG21      ILE  27   9.145  17.727  17.721
  219   2HG2  ILE  27          HG22      ILE  27  10.191  17.216  19.046
  220   3HG2  ILE  27          HG23      ILE  27   9.375  18.778  19.120
  221   1HD1  ILE  27          HD11      ILE  27   7.448  19.700  18.293
  222   2HD1  ILE  27          HD12      ILE  27   5.729  19.324  18.236
  223   3HD1  ILE  27          HD13      ILE  27   6.885  18.273  17.435
  224    H    HIS  28           HN       HIS  28   9.144  14.149  20.017
  225    HA   HIS  28           HA       HIS  28  11.397  14.171  18.306
  226   1HB   HIS  28          HB2       HIS  28  10.512  12.207  20.427
  227   2HB   HIS  28          HB1       HIS  28  12.078  12.146  19.624
  228    HD1  HIS  28           HD1      HIS  28  13.724  14.156  20.074
  229    HD2  HIS  28           HD2      HIS  28  10.259  14.217  22.391
  230    HE1  HIS  28           HE1      HIS  28  14.142  15.813  21.942
  231    HE2  HIS  28           HE2      HIS  28  12.039  15.863  23.364
  232    H    ALA  29           HN       ALA  29   8.482  13.214  17.438
  233    HA   ALA  29           HA       ALA  29   8.955  10.609  16.303
  234   1HB   ALA  29          HB1       ALA  29   6.802  11.006  15.156
  235   2HB   ALA  29          HB2       ALA  29   6.806  12.666  15.753
  236   3HB   ALA  29          HB3       ALA  29   6.699  11.320  16.885
  237    H    MET  30           HN       MET  30   8.741  13.919  14.996
  238    HA   MET  30           HA       MET  30   9.239  13.256  12.315
  239   1HB   MET  30          HB2       MET  30   9.814  15.612  12.035
  240   2HB   MET  30          HB1       MET  30   8.388  15.452  13.053
  241   1HG   MET  30          HG2       MET  30   9.603  16.963  14.349
  242   2HG   MET  30          HG1       MET  30  10.234  15.466  15.010
  243   1HE   MET  30          HE1       MET  30  12.134  17.231  15.895
  244   2HE   MET  30          HE2       MET  30  11.350  18.484  14.952
  245   3HE   MET  30          HE3       MET  30  13.085  18.234  14.796
  246    H    ASN  31           HN       ASN  31  11.460  14.140  14.963
  247    HA   ASN  31           HA       ASN  31  13.834  14.293  13.529
  248   1HB   ASN  31          HB2       ASN  31  13.240  13.293  16.324
  249   2HB   ASN  31          HB1       ASN  31  14.890  13.381  15.712
  250   1HD2  ASN  31          HD21      ASN  31  14.730  15.801  14.221
  251   2HD2  ASN  31          HD22      ASN  31  14.449  17.079  15.301
  252    H    SER  32           HN       SER  32  12.291  11.385  14.918
  253    HA   SER  32           HA       SER  32  14.301   9.583  13.962
  254   1HB   SER  32          HB2       SER  32  12.655   7.837  14.528
  255   2HB   SER  32          HB1       SER  32  12.819   9.014  15.830
  256    HG   SER  32           HG       SER  32  10.920   9.945  15.220
  257    H    TYR  33           HN       TYR  33  10.947  10.192  12.877
  258    HA   TYR  33           HA       TYR  33  11.012   8.579  10.587
  259   1HB   TYR  33          HB2       TYR  33   8.944   9.535  11.560
  260   2HB   TYR  33          HB1       TYR  33   9.451  11.139  11.031
  261    HD1  TYR  33           HD1      TYR  33   9.689  11.654   8.613
  262    HD2  TYR  33           HD2      TYR  33   8.042   7.936   9.986
  263    HE1  TYR  33           HE1      TYR  33   8.758  11.225   6.351
  264    HE2  TYR  33           HE2      TYR  33   7.104   7.512   7.727
  265    HH   TYR  33           HH       TYR  33   6.903   8.260   5.647
  266    H    TYR  34           HN       TYR  34  11.613  12.076  10.922
  267    HA   TYR  34           HA       TYR  34  12.172  12.657   8.235
  268   1HB   TYR  34          HB2       TYR  34  11.825  14.362  10.039
  269   2HB   TYR  34          HB1       TYR  34  13.420  13.963  10.676
  270    HD1  TYR  34           HD1      TYR  34  11.601  15.246   7.709
  271    HD2  TYR  34           HD2      TYR  34  15.409  14.877   9.660
  272    HE1  TYR  34           HE1      TYR  34  12.609  16.778   6.035
  273    HE2  TYR  34           HE2      TYR  34  16.415  16.414   7.993
  274    HH   TYR  34           HH       TYR  34  16.053  17.704   6.230
  275    H    ARG  35           HN       ARG  35  14.390  11.763  10.885
  276    HA   ARG  35           HA       ARG  35  16.735  11.788   9.287
  277   1HB   ARG  35          HB2       ARG  35  16.743  11.923  11.773
  278   2HB   ARG  35          HB1       ARG  35  16.228  10.237  11.839
  279   1HG   ARG  35          HG2       ARG  35  18.263   9.536  10.662
  280   2HG   ARG  35          HG1       ARG  35  18.767  11.217  10.494
  281   1HD   ARG  35          HD2       ARG  35  19.950  10.253  12.369
  282   2HD   ARG  35          HD1       ARG  35  18.767  11.399  12.994
  283    HE   ARG  35           HE       ARG  35  17.612   8.813  12.888
  284   1HH1  ARG  35          HH21      ARG  35  19.990  10.687  14.563
  285   2HH1  ARG  35          HH22      ARG  35  19.849   9.799  16.043
  286   1HH2  ARG  35          HH11      ARG  35  17.422   7.642  14.825
  287   2HH2  ARG  35          HH12      ARG  35  18.396   8.074  16.191
  288    H    SER  36           HN       SER  36  14.360   9.317  10.084
  289    HA   SER  36           HA       SER  36  15.772   7.077   9.112
  290   1HB   SER  36          HB2       SER  36  13.828   6.707  10.461
  291   2HB   SER  36          HB1       SER  36  12.819   7.649   9.368
  292    HG   SER  36           HG       SER  36  12.690   5.320   9.115
  293    H    VAL  37           HN       VAL  37  13.496   9.297   7.533
  294    HA   VAL  37           HA       VAL  37  13.582   7.954   5.002
  295    HB   VAL  37           HB       VAL  37  12.697  10.739   5.798
  296   1HG1  VAL  37          HG11      VAL  37  12.574   9.330   3.112
  297   2HG1  VAL  37          HG12      VAL  37  13.251  10.915   3.476
  298   3HG1  VAL  37          HG13      VAL  37  11.515  10.680   3.526
  299   1HG2  VAL  37          HG21      VAL  37  11.318   8.955   6.715
  300   2HG2  VAL  37          HG22      VAL  37  11.200   8.186   5.132
  301   3HG2  VAL  37          HG23      VAL  37  10.444   9.750   5.411
  302    H    VAL  38           HN       VAL  38  15.048  10.979   6.198
  303    HA   VAL  38           HA       VAL  38  16.447  11.721   3.925
  304    HB   VAL  38           HB       VAL  38  17.359  11.945   6.802
  305   1HG1  VAL  38          HG11      VAL  38  18.627  13.959   5.910
  306   2HG1  VAL  38          HG12      VAL  38  18.285  13.365   4.287
  307   3HG1  VAL  38          HG13      VAL  38  19.252  12.394   5.398
  308   1HG2  VAL  38          HG21      VAL  38  15.941  13.735   7.073
  309   2HG2  VAL  38          HG22      VAL  38  15.039  13.034   5.739
  310   3HG2  VAL  38          HG23      VAL  38  16.184  14.332   5.443
  311    H    SER  39           HN       SER  39  17.567   9.567   6.548
  312    HA   SER  39           HA       SER  39  20.085   9.000   5.453
  313   1HB   SER  39          HB2       SER  39  20.032   7.006   6.896
  314   2HB   SER  39          HB1       SER  39  19.476   8.438   7.758
  315    HG   SER  39           HG       SER  39  18.071   6.198   6.876
  316    H    THR  40           HN       THR  40  16.916   7.499   4.969
  317    HA   THR  40           HA       THR  40  17.828   5.318   3.410
  318    HB   THR  40           HB       THR  40  15.118   6.672   3.426
  319    HG1  THR  40           HG1      THR  40  16.393   4.730   4.968
  320   1HG2  THR  40          HG21      THR  40  14.378   4.380   2.609
  321   2HG2  THR  40          HG22      THR  40  16.076   4.033   2.286
  322   3HG2  THR  40          HG23      THR  40  15.264   5.345   1.429
  323    H    LEU  41           HN       LEU  41  16.496   8.488   2.511
  324    HA   LEU  41           HA       LEU  41  16.552   8.177  -0.267
  325   1HB   LEU  41          HB2       LEU  41  16.919  10.640   1.441
  326   2HB   LEU  41          HB1       LEU  41  16.696  10.696  -0.309
  327    HG   LEU  41           HG       LEU  41  14.760   9.426   1.646
  328   1HD1  LEU  41          HD11      LEU  41  14.842  11.811   1.996
  329   2HD1  LEU  41          HD12      LEU  41  13.343  11.423   1.153
  330   3HD1  LEU  41          HD13      LEU  41  14.699  12.118   0.270
  331   1HD2  LEU  41          HD21      LEU  41  14.815   9.646  -1.352
  332   2HD2  LEU  41          HD22      LEU  41  13.261   9.835  -0.547
  333   3HD2  LEU  41          HD23      LEU  41  14.181   8.359  -0.327
  334    H    VAL  42           HN       VAL  42  19.105   8.996   1.986
  335    HA   VAL  42           HA       VAL  42  21.008   9.556  -0.167
  336    HB   VAL  42           HB       VAL  42  21.360   9.431   2.839
  337   1HG1  VAL  42          HG11      VAL  42  23.226  10.285   0.601
  338   2HG1  VAL  42          HG12      VAL  42  23.499   8.990   1.765
  339   3HG1  VAL  42          HG13      VAL  42  23.500  10.667   2.298
  340   1HG2  VAL  42          HG21      VAL  42  21.404  11.893   2.632
  341   2HG2  VAL  42          HG22      VAL  42  19.884  11.248   2.014
  342   3HG2  VAL  42          HG23      VAL  42  21.141  11.756   0.891
  343    H    GLN  43           HN       GLN  43  20.312   7.033   2.206
  344    HA   GLN  43           HA       GLN  43  22.575   5.443   1.914
  345   1HB   GLN  43          HB2       GLN  43  20.797   5.018   3.585
  346   2HB   GLN  43          HB1       GLN  43  19.725   4.487   2.293
  347   1HG   GLN  43          HG2       GLN  43  21.123   2.596   1.799
  348   2HG   GLN  43          HG1       GLN  43  22.412   3.203   2.839
  349   1HE2  GLN  43          HE21      GLN  43  21.273   0.600   3.209
  350   2HE2  GLN  43          HE22      GLN  43  20.431   0.591   4.683
  351    H    ASP  44           HN       ASP  44  20.276   6.238  -0.437
  352    HA   ASP  44           HA       ASP  44  21.568   4.733  -2.467
  353   1HB   ASP  44          HB2       ASP  44  19.158   3.533  -1.146
  354   2HB   ASP  44          HB1       ASP  44  19.240   3.396  -2.899
  355    H    GLN  45           HN       GLN  45  19.759   4.574  -4.418
  356    HA   GLN  45           HA       GLN  45  18.658   5.819  -5.991
  357   1HB   GLN  45          HB2       GLN  45  16.984   5.772  -4.020
  358   2HB   GLN  45          HB1       GLN  45  17.488   7.431  -3.713
  359   1HG   GLN  45          HG2       GLN  45  15.594   7.627  -5.141
  360   2HG   GLN  45          HG1       GLN  45  16.977   7.877  -6.199
  361   1HE2  GLN  45          HE21      GLN  45  14.826   5.219  -5.061
  362   2HE2  GLN  45          HE22      GLN  45  14.883   4.355  -6.520
  363    H    LEU  46           HN       LEU  46  21.291   6.673  -5.132
  364    HA   LEU  46           HA       LEU  46  21.276   9.571  -5.043
  365   1HB   LEU  46          HB2       LEU  46  23.489   7.543  -5.350
  366   2HB   LEU  46          HB1       LEU  46  23.756   9.276  -5.169
  367    HG   LEU  46           HG       LEU  46  22.081   7.782  -3.129
  368   1HD1  LEU  46          HD11      LEU  46  25.110   8.012  -3.130
  369   2HD1  LEU  46          HD12      LEU  46  24.178   6.519  -3.249
  370   3HD1  LEU  46          HD13      LEU  46  24.137   7.469  -1.763
  371   1HD2  LEU  46          HD21      LEU  46  22.929   9.548  -1.622
  372   2HD2  LEU  46          HD22      LEU  46  22.126  10.262  -3.011
  373   3HD2  LEU  46          HD23      LEU  46  23.887  10.224  -2.934
  374    H    THR  47           HN       THR  47  19.886   8.695  -7.273
  375    HA   THR  47           HA       THR  47  21.435   8.514  -9.620
  376    HB   THR  47           HB       THR  47  19.137   7.813  -9.662
  377    HG1  THR  47           HG1      THR  47  18.382   9.506 -11.296
  378   1HG2  THR  47          HG21      THR  47  18.260   9.273  -7.905
  379   2HG2  THR  47          HG22      THR  47  17.300   9.457  -9.371
  380   3HG2  THR  47          HG23      THR  47  18.489  10.684  -8.937
  381    H    LYS  48           HN       LYS  48  20.348  11.202  -7.703
  382    HA   LYS  48           HA       LYS  48  22.156  13.005  -9.005
  383   1HB   LYS  48          HB2       LYS  48  20.293  12.914 -10.669
  384   2HB   LYS  48          HB1       LYS  48  19.213  13.517  -9.421
  385   1HG   LYS  48          HG2       LYS  48  20.543  15.545  -9.195
  386   2HG   LYS  48          HG1       LYS  48  21.701  14.947 -10.373
  387   1HD   LYS  48          HD2       LYS  48  19.923  14.917 -12.082
  388   2HD   LYS  48          HD1       LYS  48  18.775  15.533 -10.889
  389   1HE   LYS  48          HE2       LYS  48  20.165  17.542 -10.582
  390   2HE   LYS  48          HE1       LYS  48  21.309  16.935 -11.774
  391   1HZ   LYS  48          HZ1       LYS  48  18.527  17.837 -12.188
  392   2HZ   LYS  48          HZ2       LYS  48  19.281  16.800 -13.302
  393   3HZ   LYS  48          HZ3       LYS  48  19.934  18.336 -12.993
  394    H    ASN  49           HN       ASN  49  22.729  14.530  -7.578
  395    HA   ASN  49           HA       ASN  49  21.932  14.583  -4.947
  396   1HB   ASN  49          HB2       ASN  49  22.792  17.047  -5.016
  397   2HB   ASN  49          HB1       ASN  49  23.918  15.746  -5.399
  398   1HD2  ASN  49          HD21      ASN  49  21.470  17.715  -7.207
  399   2HD2  ASN  49          HD22      ASN  49  22.465  17.936  -8.564
  400    H    ALA  50           HN       ALA  50  20.564  16.370  -7.663
  401    HA   ALA  50           HA       ALA  50  18.806  18.000  -6.136
  402   1HB   ALA  50          HB1       ALA  50  19.435  18.452  -8.493
  403   2HB   ALA  50          HB2       ALA  50  17.691  18.462  -8.227
  404   3HB   ALA  50          HB3       ALA  50  18.459  17.067  -8.984
  405    H    VAL  51           HN       VAL  51  18.295  14.941  -7.903
  406    HA   VAL  51           HA       VAL  51  15.574  14.573  -7.395
  407    HB   VAL  51           HB       VAL  51  17.840  12.605  -7.685
  408   1HG1  VAL  51          HG11      VAL  51  16.315  11.306  -6.395
  409   2HG1  VAL  51          HG12      VAL  51  15.926  10.881  -8.058
  410   3HG1  VAL  51          HG13      VAL  51  14.905  12.018  -7.180
  411   1HG2  VAL  51          HG21      VAL  51  17.020  12.322  -9.914
  412   2HG2  VAL  51          HG22      VAL  51  16.956  14.063  -9.630
  413   3HG2  VAL  51          HG23      VAL  51  15.484  13.100  -9.532
  414    H    VAL  52           HN       VAL  52  18.337  13.655  -5.346
  415    HA   VAL  52           HA       VAL  52  16.613  12.621  -3.282
  416    HB   VAL  52           HB       VAL  52  18.729  12.406  -1.952
  417   1HG1  VAL  52          HG11      VAL  52  18.007  10.652  -3.571
  418   2HG1  VAL  52          HG12      VAL  52  19.764  10.751  -3.452
  419   3HG1  VAL  52          HG13      VAL  52  18.931  11.465  -4.834
  420   1HG2  VAL  52          HG21      VAL  52  19.885  13.755  -4.398
  421   2HG2  VAL  52          HG22      VAL  52  20.868  12.903  -3.220
  422   3HG2  VAL  52          HG23      VAL  52  19.973  14.343  -2.747
  423    H    LEU  53           HN       LEU  53  18.534  15.535  -3.755
  424    HA   LEU  53           HA       LEU  53  18.044  16.672  -1.216
  425   1HB   LEU  53          HB2       LEU  53  19.829  17.435  -2.644
  426   2HB   LEU  53          HB1       LEU  53  18.672  17.986  -3.841
  427    HG   LEU  53           HG       LEU  53  18.201  19.125  -1.125
  428   1HD1  LEU  53          HD11      LEU  53  20.056  20.766  -1.294
  429   2HD1  LEU  53          HD12      LEU  53  20.716  19.861  -2.656
  430   3HD1  LEU  53          HD13      LEU  53  20.641  19.120  -1.057
  431   1HD2  LEU  53          HD21      LEU  53  17.035  19.884  -3.225
  432   2HD2  LEU  53          HD22      LEU  53  18.579  20.472  -3.826
  433   3HD2  LEU  53          HD23      LEU  53  17.867  21.192  -2.385
  434    H    LYS  54           HN       LYS  54  16.345  16.973  -4.298
  435    HA   LYS  54           HA       LYS  54  14.521  18.973  -3.677
  436   1HB   LYS  54          HB2       LYS  54  14.349  16.506  -5.401
  437   2HB   LYS  54          HB1       LYS  54  12.997  17.632  -5.294
  438   1HG   LYS  54          HG2       LYS  54  14.215  19.400  -6.296
  439   2HG   LYS  54          HG1       LYS  54  15.773  18.654  -5.968
  440   1HD   LYS  54          HD2       LYS  54  15.221  18.438  -8.348
  441   2HD   LYS  54          HD1       LYS  54  15.231  16.852  -7.585
  442   1HE   LYS  54          HE2       LYS  54  12.836  16.780  -7.505
  443   2HE   LYS  54          HE1       LYS  54  12.706  18.483  -7.949
  444   1HZ   LYS  54          HZ1       LYS  54  13.859  16.360  -9.671
  445   2HZ   LYS  54          HZ2       LYS  54  13.629  17.989 -10.096
  446   3HZ   LYS  54          HZ3       LYS  54  12.288  16.982  -9.820
  447    H    ARG  55           HN       ARG  55  14.409  15.512  -2.926
  448    HA   ARG  55           HA       ARG  55  11.809  15.541  -1.796
  449   1HB   ARG  55          HB2       ARG  55  14.152  13.670  -1.414
  450   2HB   ARG  55          HB1       ARG  55  12.546  13.372  -0.747
  451   1HG   ARG  55          HG2       ARG  55  11.625  13.547  -3.086
  452   2HG   ARG  55          HG1       ARG  55  13.278  13.658  -3.677
  453   1HD   ARG  55          HD2       ARG  55  12.750  11.362  -3.903
  454   2HD   ARG  55          HD1       ARG  55  13.668  11.431  -2.402
  455    HE   ARG  55           HE       ARG  55  11.052  11.743  -1.608
  456   1HH1  ARG  55          HH21      ARG  55  12.840   9.447  -3.479
  457   2HH1  ARG  55          HH22      ARG  55  11.836   8.104  -3.046
  458   1HH2  ARG  55          HH11      ARG  55   9.722   9.990  -1.046
  459   2HH2  ARG  55          HH12      ARG  55  10.070   8.411  -1.668
  460    H    ILE  56           HN       ILE  56  15.044  16.137  -0.523
  461    HA   ILE  56           HA       ILE  56  14.358  16.091   2.231
  462    HB   ILE  56           HB       ILE  56  16.559  17.685   0.899
  463   1HG1  ILE  56          HG12      ILE  56  16.731  15.375   0.261
  464   2HG1  ILE  56          HG11      ILE  56  17.982  15.719   1.419
  465   1HG2  ILE  56          HG21      ILE  56  17.688  17.387   3.087
  466   2HG2  ILE  56          HG22      ILE  56  16.198  16.689   3.722
  467   3HG2  ILE  56          HG23      ILE  56  16.228  18.369   3.187
  468   1HD1  ILE  56          HD11      ILE  56  17.162  13.662   2.155
  469   2HD1  ILE  56          HD12      ILE  56  15.504  14.054   1.712
  470   3HD1  ILE  56          HD13      ILE  56  16.223  14.778   3.143
  471    H    GLN  57           HN       GLN  57  14.715  18.819  -0.042
  472    HA   GLN  57           HA       GLN  57  13.995  20.863   1.724
  473   1HB   GLN  57          HB2       GLN  57  13.486  20.666  -1.253
  474   2HB   GLN  57          HB1       GLN  57  13.454  22.151  -0.301
  475   1HG   GLN  57          HG2       GLN  57  15.867  20.330  -0.526
  476   2HG   GLN  57          HG1       GLN  57  15.629  21.781  -1.497
  477   1HE2  GLN  57          HE21      GLN  57  17.473  20.908   0.978
  478   2HE2  GLN  57          HE22      GLN  57  17.417  22.299   1.948
  479    H    HIS  58           HN       HIS  58  12.017  18.733  -0.289
  480    HA   HIS  58           HA       HIS  58   9.541  20.041   0.350
  481   1HB   HIS  58          HB2       HIS  58   8.781  18.717  -1.356
  482   2HB   HIS  58          HB1       HIS  58  10.391  18.023  -1.477
  483    HD1  HIS  58           HD1      HIS  58  10.788  15.705  -0.335
  484    HD2  HIS  58           HD2      HIS  58   6.878  17.093   0.023
  485    HE1  HIS  58           HE1      HIS  58   9.417  13.759   0.527
  486    HE2  HIS  58           HE2      HIS  58   7.031  14.588   0.754
  487    H    LEU  59           HN       LEU  59  11.189  17.104   1.495
  488    HA   LEU  59           HA       LEU  59   9.216  16.165   3.219
  489   1HB   LEU  59          HB2       LEU  59  11.328  14.958   2.588
  490   2HB   LEU  59          HB1       LEU  59  12.194  15.994   3.715
  491    HG   LEU  59           HG       LEU  59  10.660  15.182   5.533
  492   1HD1  LEU  59          HD11      LEU  59   9.590  12.838   4.875
  493   2HD1  LEU  59          HD12      LEU  59   9.526  13.560   3.272
  494   3HD1  LEU  59          HD13      LEU  59   8.703  14.336   4.624
  495   1HD2  LEU  59          HD21      LEU  59  12.900  14.233   5.225
  496   2HD2  LEU  59          HD22      LEU  59  12.260  13.054   4.078
  497   3HD2  LEU  59          HD23      LEU  59  11.773  12.994   5.775
  498    H    ASP  60           HN       ASP  60  11.360  18.857   3.539
  499    HA   ASP  60           HA       ASP  60  11.387  19.167   6.327
  500   1HB   ASP  60          HB2       ASP  60  11.445  21.244   4.132
  501   2HB   ASP  60          HB1       ASP  60  11.793  21.581   5.822
  502    H    GLU  61           HN       GLU  61   8.976  20.024   3.900
  503    HA   GLU  61           HA       GLU  61   7.350  21.682   5.494
  504   1HB   GLU  61          HB2       GLU  61   5.789  21.561   3.759
  505   2HB   GLU  61          HB1       GLU  61   7.281  21.154   2.920
  506   1HG   GLU  61          HG2       GLU  61   6.639  18.665   3.401
  507   2HG   GLU  61          HG1       GLU  61   5.046  19.285   3.797
  508    H    ALA  62           HN       ALA  62   7.635  18.205   5.231
  509    HA   ALA  62           HA       ALA  62   5.214  17.585   6.579
  510   1HB   ALA  62          HB1       ALA  62   6.099  15.330   6.709
  511   2HB   ALA  62          HB2       ALA  62   7.721  15.908   6.350
  512   3HB   ALA  62          HB3       ALA  62   6.461  15.995   5.120
  513    H    TYR  63           HN       TYR  63   8.607  17.533   7.650
  514    HA   TYR  63           HA       TYR  63   8.182  16.893  10.305
  515   1HB   TYR  63          HB2       TYR  63  10.459  17.009  10.195
  516   2HB   TYR  63          HB1       TYR  63  10.362  17.919   8.694
  517    HD1  TYR  63           HD1      TYR  63  10.129  18.297  12.407
  518    HD2  TYR  63           HD2      TYR  63  10.956  20.242   8.671
  519    HE1  TYR  63           HE1      TYR  63  10.824  20.344  13.624
  520    HE2  TYR  63           HE2      TYR  63  11.646  22.289   9.887
  521    HH   TYR  63           HH       TYR  63  12.482  22.416  12.964
  522    H    ASN  64           HN       ASN  64   8.244  20.100   8.763
  523    HA   ASN  64           HA       ASN  64   7.846  21.627  11.093
  524   1HB   ASN  64          HB2       ASN  64   8.622  22.591   8.959
  525   2HB   ASN  64          HB1       ASN  64   7.045  22.268   8.240
  526   1HD2  ASN  64          HD21      ASN  64   6.657  24.599   7.923
  527   2HD2  ASN  64          HD22      ASN  64   6.296  25.605   9.242
  528    H    LYS  65           HN       LYS  65   5.640  19.994   8.914
  529    HA   LYS  65           HA       LYS  65   3.263  21.200   9.803
  530   1HB   LYS  65          HB2       LYS  65   3.657  19.656   7.756
  531   2HB   LYS  65          HB1       LYS  65   3.433  18.327   8.880
  532   1HG   LYS  65          HG2       LYS  65   1.227  18.636   8.156
  533   2HG   LYS  65          HG1       LYS  65   1.229  19.692   9.556
  534   1HD   LYS  65          HD2       LYS  65   1.712  21.622   8.073
  535   2HD   LYS  65          HD1       LYS  65   1.702  20.543   6.680
  536   1HE   LYS  65          HE2       LYS  65  -0.476  21.586   6.833
  537   2HE   LYS  65          HE1       LYS  65  -0.654  19.893   7.298
  538   1HZ   LYS  65          HZ1       LYS  65  -0.943  20.423   9.481
  539   2HZ   LYS  65          HZ2       LYS  65  -1.629  21.805   8.768
  540   3HZ   LYS  65          HZ3       LYS  65  -0.045  21.859   9.381
  541    H    VAL  66           HN       VAL  66   5.110  18.433  10.973
  542    HA   VAL  66           HA       VAL  66   3.222  17.382  12.747
  543    HB   VAL  66           HB       VAL  66   6.250  17.459  13.025
  544   1HG1  VAL  66          HG11      VAL  66   5.853  15.396  14.438
  545   2HG1  VAL  66          HG12      VAL  66   4.146  15.837  14.471
  546   3HG1  VAL  66          HG13      VAL  66   5.349  16.913  15.179
  547   1HG2  VAL  66          HG21      VAL  66   5.604  16.374  10.974
  548   2HG2  VAL  66          HG22      VAL  66   4.338  15.458  11.793
  549   3HG2  VAL  66          HG23      VAL  66   6.037  15.120  12.136
  550    H    LYS  67           HN       LYS  67   5.831  19.717  13.399
  551    HA   LYS  67           HA       LYS  67   5.082  20.223  16.075
  552   1HB   LYS  67          HB2       LYS  67   6.510  22.067  14.156
  553   2HB   LYS  67          HB1       LYS  67   6.537  22.140  15.914
  554   1HG   LYS  67          HG2       LYS  67   7.369  19.579  15.623
  555   2HG   LYS  67          HG1       LYS  67   7.911  20.191  14.074
  556   1HD   LYS  67          HD2       LYS  67   8.628  21.296  16.790
  557   2HD   LYS  67          HD1       LYS  67   9.679  20.329  15.749
  558   1HE   LYS  67          HE2       LYS  67   9.312  22.166  13.962
  559   2HE   LYS  67          HE1       LYS  67   8.651  23.142  15.272
  560   1HZ   LYS  67          HZ1       LYS  67  11.107  23.378  14.758
  561   2HZ   LYS  67          HZ2       LYS  67  11.303  21.855  15.486
  562   3HZ   LYS  67          HZ3       LYS  67  10.680  23.155  16.384
  563    H    ARG  68           HN       ARG  68   4.362  21.897  13.047
  564    HA   ARG  68           HA       ARG  68   3.021  24.117  14.010
  565   1HB   ARG  68          HB2       ARG  68   3.641  23.677  11.619
  566   2HB   ARG  68          HB1       ARG  68   2.294  22.543  11.529
  567   1HG   ARG  68          HG2       ARG  68   0.710  24.313  12.069
  568   2HG   ARG  68          HG1       ARG  68   2.029  25.458  12.292
  569   1HD   ARG  68          HD2       ARG  68   2.687  25.052   9.896
  570   2HD   ARG  68          HD1       ARG  68   1.219  24.093   9.715
  571    HE   ARG  68           HE       ARG  68   0.460  26.582  10.758
  572   1HH1  ARG  68          HH21      ARG  68   1.923  25.237   7.925
  573   2HH1  ARG  68          HH22      ARG  68   1.330  26.472   6.865
  574   1HH2  ARG  68          HH11      ARG  68  -0.319  28.206   9.374
  575   2HH2  ARG  68          HH12      ARG  68   0.061  28.153   7.685
  576    H    GLY  69           HN       GLY  69   2.010  20.797  13.799
  577   1HA   GLY  69          HA2       GLY  69  -0.798  21.358  14.310
  578   2HA   GLY  69          HA1       GLY  69  -0.032  19.781  14.151
  579    H    GLU  70           HN       GLU  70   2.073  20.943  16.120
  580    HA   GLU  70           HA       GLU  70   0.660  20.031  18.548
  581   1HB   GLU  70          HB2       GLU  70   3.591  20.479  17.929
  582   2HB   GLU  70          HB1       GLU  70   2.977  19.961  19.498
  583   1HG   GLU  70          HG2       GLU  70   2.369  18.468  16.932
  584   2HG   GLU  70          HG1       GLU  70   3.746  18.080  17.945
  585    H    SER  71           HN       SER  71   1.495  21.175  20.599
  586    HA   SER  71           HA       SER  71   2.002  24.020  20.341
  587   1HB   SER  71          HB2       SER  71  -0.039  24.772  21.365
  588   2HB   SER  71          HB1       SER  71  -0.482  23.770  19.986
  589    HG   SER  71           HG       SER  71  -0.179  22.674  22.567
  590    H    LYS  72           HN       LYS  72   2.183  25.054  22.463
  591    HA   LYS  72           HA       LYS  72   2.387  23.371  24.806
  592   1HB   LYS  72          HB2       LYS  72   4.799  23.808  25.153
  593   2HB   LYS  72          HB1       LYS  72   4.507  22.806  23.731
  594   1HG   LYS  72          HG2       LYS  72   4.630  24.872  22.317
  595   2HG   LYS  72          HG1       LYS  72   5.069  25.790  23.757
  596   1HD   LYS  72          HD2       LYS  72   7.053  24.381  24.077
  597   2HD   LYS  72          HD1       LYS  72   6.611  23.423  22.662
  598   1HE   LYS  72          HE2       LYS  72   8.299  25.099  22.052
  599   2HE   LYS  72          HE1       LYS  72   6.768  25.456  21.252
  600   1HZ   LYS  72          HZ1       LYS  72   6.579  27.366  22.346
  601   2HZ   LYS  72          HZ2       LYS  72   8.206  27.177  22.796
  602   3HZ   LYS  72          HZ3       LYS  72   6.967  26.662  23.840
  603    H    LEU  73           HN       LEU  73   2.416  26.399  23.180
  604    HA   LEU  73           HA       LEU  73   1.526  27.783  25.476
  605   1HB   LEU  73          HB2       LEU  73   4.383  27.613  25.166
  606   2HB   LEU  73          HB1       LEU  73   3.931  29.281  24.859
  607    HG   LEU  73           HG       LEU  73   3.027  27.738  27.314
  608   1HD1  LEU  73          HD11      LEU  73   5.455  27.869  27.370
  609   2HD1  LEU  73          HD12      LEU  73   4.812  29.057  28.504
  610   3HD1  LEU  73          HD13      LEU  73   5.415  29.576  26.929
  611   1HD2  LEU  73          HD21      LEU  73   1.620  29.671  26.858
  612   2HD2  LEU  73          HD22      LEU  73   3.028  30.688  26.571
  613   3HD2  LEU  73          HD23      LEU  73   2.689  30.090  28.194
  614    H    GLU  74           HN       GLU  74   1.081  30.054  25.050
  615    HA   GLU  74           HA       GLU  74   0.921  30.729  22.156
  616   1HB   GLU  74          HB2       GLU  74  -1.214  31.014  24.283
  617   2HB   GLU  74          HB1       GLU  74  -1.310  31.732  22.674
  618   1HG   GLU  74          HG2       GLU  74  -1.159  29.514  21.645
  619   2HG   GLU  74          HG1       GLU  74  -0.982  28.769  23.231
  620    H    HIS  75           HN       HIS  75   1.284  31.794  25.486
  621    HA   HIS  75           HA       HIS  75   1.229  34.583  25.013
  622   1HB   HIS  75          HB2       HIS  75   2.613  32.978  27.184
  623   2HB   HIS  75          HB1       HIS  75   2.456  34.735  27.187
  624    HD1  HIS  75           HD1      HIS  75   0.359  31.590  27.341
  625    HD2  HIS  75           HD2      HIS  75  -0.070  35.690  27.962
  626    HE1  HIS  75           HE1      HIS  75  -1.932  31.923  28.369
  627    HE2  HIS  75           HE2      HIS  75  -2.208  34.418  28.754
  628    H    HIS  76           HN       HIS  76   3.526  35.658  25.964
  629    HA   HIS  76           HA       HIS  76   5.784  34.640  24.392
  630   1HB   HIS  76          HB2       HIS  76   4.405  36.184  22.911
  631   2HB   HIS  76          HB1       HIS  76   4.815  37.490  24.021
  632    HD1  HIS  76           HD1      HIS  76   6.982  38.668  23.546
  633    HD2  HIS  76           HD2      HIS  76   6.877  34.871  21.826
  634    HE1  HIS  76           HE1      HIS  76   9.116  38.431  22.203
  635    HE2  HIS  76           HE2      HIS  76   9.067  36.122  21.148
  636    H    HIS  77           HN       HIS  77   7.746  35.214  25.194
  637    HA   HIS  77           HA       HIS  77   7.838  36.199  27.893
  638   1HB   HIS  77          HB2       HIS  77  10.293  35.922  27.629
  639   2HB   HIS  77          HB1       HIS  77   9.394  34.476  27.169
  640    HD1  HIS  77           HD1      HIS  77   9.425  33.780  24.701
  641    HD2  HIS  77           HD2      HIS  77  11.438  37.361  25.411
  642    HE1  HIS  77           HE1      HIS  77  10.685  34.327  22.573
  643    HE2  HIS  77           HE2      HIS  77  11.917  36.508  22.989
  644    H    HIS  78           HN       HIS  78   7.950  37.647  24.797
  645    HA   HIS  78           HA       HIS  78   8.396  39.778  24.062
  646   1HB   HIS  78          HB2       HIS  78   6.615  40.268  25.715
  647   2HB   HIS  78          HB1       HIS  78   7.848  40.467  26.960
  648    HD1  HIS  78           HD1      HIS  78   6.808  41.975  23.626
  649    HD2  HIS  78           HD2      HIS  78   9.017  42.996  27.011
  650    HE1  HIS  78           HE1      HIS  78   7.430  44.416  23.367
  651    HE2  HIS  78           HE2      HIS  78   8.777  45.054  25.422
  652    H    HIS  79           HN       HIS  79  10.536  39.740  23.504
  653    HA   HIS  79           HA       HIS  79  12.692  39.713  25.340
  654   1HB   HIS  79          HB2       HIS  79  12.868  39.050  22.940
  655   2HB   HIS  79          HB1       HIS  79  12.686  40.745  22.493
  656    HD1  HIS  79           HD1      HIS  79  14.630  42.383  23.212
  657    HD2  HIS  79           HD2      HIS  79  15.420  38.349  23.905
  658    HE1  HIS  79           HE1      HIS  79  17.115  42.209  23.667
  659    HE2  HIS  79           HE2      HIS  79  17.613  39.755  24.091
  660    H    HIS  80           HN       HIS  80  13.640  41.297  26.463
  661    HA   HIS  80           HA       HIS  80  14.001  43.366  27.389
  662   1HB   HIS  80          HB2       HIS  80  15.139  43.664  25.194
  663   2HB   HIS  80          HB1       HIS  80  13.636  44.308  24.534
  664    HD1  HIS  80           HD1      HIS  80  12.781  46.603  25.534
  665    HD2  HIS  80           HD2      HIS  80  16.584  45.464  26.808
  666    HE1  HIS  80           HE1      HIS  80  13.827  48.653  26.592
  667    HE2  HIS  80           HE2      HIS  80  16.145  47.975  27.373
  668   1H    MET   1          HT1       MET   1  29.568  29.454  11.111
  669   2H    MET   1          HT2       MET   1  30.445  28.143  10.480
  670   3H    MET   1          HT3       MET   1  28.845  27.923  11.011
  671    HA   MET   1           HA       MET   1  28.568  28.026   8.737
  672   1HB   MET   1          HB2       MET   1  28.353  30.845   9.835
  673   2HB   MET   1          HB1       MET   1  27.673  30.336   8.289
  674   1HG   MET   1          HG2       MET   1  26.316  28.629   9.441
  675   2HG   MET   1          HG1       MET   1  26.985  29.137  10.989
  676   1HE   MET   1          HE1       MET   1  25.380  32.376  11.882
  677   2HE   MET   1          HE2       MET   1  27.032  31.892  11.519
  678   3HE   MET   1          HE3       MET   1  25.992  30.817  12.449
  679    H    SER   2           HN       SER   2  31.468  28.942   9.783
  680    HA   SER   2           HA       SER   2  32.478  29.475   7.106
  681   1HB   SER   2          HB2       SER   2  32.843  31.509   9.324
  682   2HB   SER   2          HB1       SER   2  33.646  31.547   7.757
  683    HG   SER   2           HG       SER   2  30.950  31.968   8.423
  684    H    GLU   3           HN       GLU   3  34.875  29.575   7.105
  685    HA   GLU   3           HA       GLU   3  36.875  28.563   7.585
  686   1HB   GLU   3          HB2       GLU   3  36.655  30.214   9.511
  687   2HB   GLU   3          HB1       GLU   3  36.077  28.869  10.492
  688   1HG   GLU   3          HG2       GLU   3  38.198  27.642  10.012
  689   2HG   GLU   3          HG1       GLU   3  38.764  29.027   9.086
  690    H    LEU   4           HN       LEU   4  35.337  26.708   6.755
  691    HA   LEU   4           HA       LEU   4  34.655  24.623   8.573
  692   1HB   LEU   4          HB2       LEU   4  35.030  24.825   5.588
  693   2HB   LEU   4          HB1       LEU   4  34.728  23.260   6.340
  694    HG   LEU   4           HG       LEU   4  32.664  24.390   5.534
  695   1HD1  LEU   4          HD11      LEU   4  31.382  23.503   7.218
  696   2HD1  LEU   4          HD12      LEU   4  32.209  24.402   8.486
  697   3HD1  LEU   4          HD13      LEU   4  32.925  22.929   7.841
  698   1HD2  LEU   4          HD21      LEU   4  33.059  26.403   7.758
  699   2HD2  LEU   4          HD22      LEU   4  31.867  26.435   6.461
  700   3HD2  LEU   4          HD23      LEU   4  33.567  26.725   6.099
  701    H    PHE   5           HN       PHE   5  37.548  25.329   6.650
  702    HA   PHE   5           HA       PHE   5  38.954  22.989   6.886
  703   1HB   PHE   5          HB2       PHE   5  40.014  25.800   7.248
  704   2HB   PHE   5          HB1       PHE   5  41.004  24.372   6.940
  705    HD1  PHE   5           HD1      PHE   5  40.846  23.152   4.794
  706    HD2  PHE   5           HD2      PHE   5  38.671  26.790   5.488
  707    HE1  PHE   5           HE1      PHE   5  40.462  23.388   2.355
  708    HE2  PHE   5           HE2      PHE   5  38.286  27.026   3.050
  709    HZ   PHE   5           HZ       PHE   5  39.182  25.325   1.483
  710    H    SER   6           HN       SER   6  38.378  21.939   8.771
  711    HA   SER   6           HA       SER   6  39.952  21.528  10.751
  712   1HB   SER   6          HB2       SER   6  39.214  23.018  12.719
  713   2HB   SER   6          HB1       SER   6  40.323  23.738  11.576
  714    HG   SER   6           HG       SER   6  38.730  24.987  10.801
  715    H    VAL   7           HN       VAL   7  38.282  19.803  10.066
  716    HA   VAL   7           HA       VAL   7  35.654  19.610  10.763
  717    HB   VAL   7           HB       VAL   7  37.903  17.646  11.092
  718   1HG1  VAL   7          HG11      VAL   7  35.087  17.244  12.115
  719   2HG1  VAL   7          HG12      VAL   7  36.604  16.924  12.954
  720   3HG1  VAL   7          HG13      VAL   7  36.094  15.877  11.634
  721   1HG2  VAL   7          HG21      VAL   7  36.884  18.121   8.863
  722   2HG2  VAL   7          HG22      VAL   7  35.347  17.532   9.480
  723   3HG2  VAL   7          HG23      VAL   7  36.718  16.435   9.349
  724    HA   PRO   8           HA       PRO   8  36.660  18.772  15.476
  725   1HB   PRO   8          HB2       PRO   8  38.942  20.232  16.312
  726   2HB   PRO   8          HB1       PRO   8  38.880  18.477  16.049
  727   1HG   PRO   8          HG2       PRO   8  39.778  20.632  14.161
  728   2HG   PRO   8          HG1       PRO   8  40.520  19.051  14.505
  729   1HD   PRO   8          HD2       PRO   8  39.090  19.296  12.298
  730   2HD   PRO   8          HD1       PRO   8  38.837  17.865  13.303
  731    H    TYR   9           HN       TYR   9  37.122  21.669  13.625
  732    HA   TYR   9           HA       TYR   9  36.559  23.537  15.667
  733   1HB   TYR   9          HB2       TYR   9  37.552  24.364  13.652
  734   2HB   TYR   9          HB1       TYR   9  36.267  23.705  12.649
  735    HD1  TYR   9           HD1      TYR   9  36.263  25.764  15.815
  736    HD2  TYR   9           HD2      TYR   9  35.030  25.463  11.704
  737    HE1  TYR   9           HE1      TYR   9  34.995  27.869  16.044
  738    HE2  TYR   9           HE2      TYR   9  33.764  27.572  11.942
  739    HH   TYR   9           HH       TYR   9  34.083  29.727  13.689
  740    H    PHE  10           HN       PHE  10  34.488  21.961  13.268
  741    HA   PHE  10           HA       PHE  10  32.083  23.209  14.235
  742   1HB   PHE  10          HB2       PHE  10  32.864  21.381  12.072
  743   2HB   PHE  10          HB1       PHE  10  31.327  20.901  12.779
  744    HD1  PHE  10           HD2      PHE  10  33.023  24.175  12.020
  745    HD2  PHE  10           HD1      PHE  10  29.493  21.769  11.554
  746    HE1  PHE  10           HE2      PHE  10  31.928  26.020  10.774
  747    HE2  PHE  10           HE1      PHE  10  28.409  23.619  10.313
  748    HZ   PHE  10           HZ       PHE  10  29.613  25.735   9.920
  749    H    ILE  11           HN       ILE  11  33.508  19.976  14.578
  750    HA   ILE  11           HA       ILE  11  31.449  18.861  16.113
  751    HB   ILE  11           HB       ILE  11  34.411  18.270  16.077
  752   1HG1  ILE  11          HG12      ILE  11  32.045  16.840  14.791
  753   2HG1  ILE  11          HG11      ILE  11  33.132  17.931  13.941
  754   1HG2  ILE  11          HG21      ILE  11  33.700  16.068  17.098
  755   2HG2  ILE  11          HG22      ILE  11  32.119  16.774  17.389
  756   3HG2  ILE  11          HG23      ILE  11  33.550  17.438  18.188
  757   1HD1  ILE  11          HD11      ILE  11  33.933  15.721  13.500
  758   2HD1  ILE  11          HD12      ILE  11  33.799  15.266  15.191
  759   3HD1  ILE  11          HD13      ILE  11  35.042  16.410  14.688
  760    H    GLU  12           HN       GLU  12  34.314  20.707  17.076
  761    HA   GLU  12           HA       GLU  12  34.269  20.402  19.808
  762   1HB   GLU  12          HB2       GLU  12  35.950  21.743  18.640
  763   2HB   GLU  12          HB1       GLU  12  34.746  22.978  18.282
  764   1HG   GLU  12          HG2       GLU  12  34.459  23.395  20.670
  765   2HG   GLU  12          HG1       GLU  12  35.568  22.078  21.044
  766    H    ASN  13           HN       ASN  13  31.962  22.092  17.810
  767    HA   ASN  13           HA       ASN  13  30.729  23.582  19.933
  768   1HB   ASN  13          HB2       ASN  13  30.575  24.223  17.537
  769   2HB   ASN  13          HB1       ASN  13  29.600  22.784  17.240
  770   1HD2  ASN  13          HD21      ASN  13  27.456  23.447  17.048
  771   2HD2  ASN  13          HD22      ASN  13  26.692  24.553  18.084
  772    H    LEU  14           HN       LEU  14  30.043  20.525  18.264
  773    HA   LEU  14           HA       LEU  14  27.637  19.947  19.689
  774   1HB   LEU  14          HB2       LEU  14  29.533  18.169  18.136
  775   2HB   LEU  14          HB1       LEU  14  28.011  17.616  18.824
  776    HG   LEU  14           HG       LEU  14  27.096  19.809  17.440
  777   1HD1  LEU  14          HD11      LEU  14  29.195  18.721  15.555
  778   2HD1  LEU  14          HD12      LEU  14  29.490  20.134  16.567
  779   3HD1  LEU  14          HD13      LEU  14  28.192  20.155  15.395
  780   1HD2  LEU  14          HD21      LEU  14  26.306  18.299  15.731
  781   2HD2  LEU  14          HD22      LEU  14  26.301  17.441  17.267
  782   3HD2  LEU  14          HD23      LEU  14  27.581  17.134  16.098
  783    H    LYS  15           HN       LYS  15  31.028  19.178  20.200
  784    HA   LYS  15           HA       LYS  15  30.722  17.227  22.168
  785   1HB   LYS  15          HB2       LYS  15  32.842  17.852  21.032
  786   2HB   LYS  15          HB1       LYS  15  32.879  19.327  21.995
  787   1HG   LYS  15          HG2       LYS  15  32.941  18.007  24.067
  788   2HG   LYS  15          HG1       LYS  15  32.795  16.518  23.139
  789   1HD   LYS  15          HD2       LYS  15  35.114  16.625  23.547
  790   2HD   LYS  15          HD1       LYS  15  34.990  17.322  21.935
  791   1HE   LYS  15          HE2       LYS  15  36.455  18.702  23.334
  792   2HE   LYS  15          HE1       LYS  15  34.985  19.603  22.976
  793   1HZ   LYS  15          HZ1       LYS  15  34.832  17.942  25.326
  794   2HZ   LYS  15          HZ2       LYS  15  34.341  19.553  25.102
  795   3HZ   LYS  15          HZ3       LYS  15  35.966  19.197  25.442
  796    H    GLN  16           HN       GLN  16  30.982  20.766  22.452
  797    HA   GLN  16           HA       GLN  16  30.774  20.859  25.283
  798   1HB   GLN  16          HB2       GLN  16  31.659  22.723  23.909
  799   2HB   GLN  16          HB1       GLN  16  30.042  22.991  23.259
  800   1HG   GLN  16          HG2       GLN  16  29.177  23.535  25.455
  801   2HG   GLN  16          HG1       GLN  16  30.695  23.069  26.219
  802   1HE2  GLN  16          HE21      GLN  16  29.768  25.226  23.467
  803   2HE2  GLN  16          HE22      GLN  16  30.723  26.529  23.988
  804    H    HIS  17           HN       HIS  17  28.419  20.648  22.716
  805    HA   HIS  17           HA       HIS  17  26.161  21.481  24.249
  806   1HB   HIS  17          HB2       HIS  17  26.336  19.710  21.797
  807   2HB   HIS  17          HB1       HIS  17  24.841  20.346  22.465
  808    HD1  HIS  17           HD1      HIS  17  26.639  23.084  23.217
  809    HD2  HIS  17           HD2      HIS  17  25.740  21.448  19.490
  810    HE1  HIS  17           HE1      HIS  17  26.838  24.972  21.540
  811    HE2  HIS  17           HE2      HIS  17  26.284  23.991  19.264
  812    H    ILE  18           HN       ILE  18  27.343  18.236  23.346
  813    HA   ILE  18           HA       ILE  18  25.462  16.881  25.064
  814    HB   ILE  18           HB       ILE  18  26.662  14.862  24.422
  815   1HG1  ILE  18          HG12      ILE  18  28.708  16.810  23.303
  816   2HG1  ILE  18          HG11      ILE  18  28.975  15.563  24.514
  817   1HG2  ILE  18          HG21      ILE  18  26.062  14.908  22.138
  818   2HG2  ILE  18          HG22      ILE  18  26.563  16.582  21.928
  819   3HG2  ILE  18          HG23      ILE  18  25.089  16.204  22.813
  820   1HD1  ILE  18          HD11      ILE  18  29.864  14.643  22.525
  821   2HD1  ILE  18          HD12      ILE  18  28.502  15.204  21.557
  822   3HD1  ILE  18          HD13      ILE  18  28.284  13.874  22.697
  823    H    GLU  19           HN       GLU  19  28.948  17.565  25.209
  824    HA   GLU  19           HA       GLU  19  29.537  16.222  27.586
  825   1HB   GLU  19          HB2       GLU  19  31.239  17.236  26.088
  826   2HB   GLU  19          HB1       GLU  19  30.724  18.839  26.616
  827   1HG   GLU  19          HG2       GLU  19  31.388  18.327  28.913
  828   2HG   GLU  19          HG1       GLU  19  31.808  16.680  28.447
  829    H    MET  20           HN       MET  20  28.709  19.682  27.191
  830    HA   MET  20           HA       MET  20  28.129  19.862  30.078
  831   1HB   MET  20          HB2       MET  20  28.233  22.067  28.000
  832   2HB   MET  20          HB1       MET  20  28.184  22.257  29.749
  833   1HG   MET  20          HG2       MET  20  30.354  21.048  29.912
  834   2HG   MET  20          HG1       MET  20  30.420  20.984  28.150
  835   1HE   MET  20          HE1       MET  20  32.504  22.248  27.654
  836   2HE   MET  20          HE2       MET  20  32.801  22.054  29.380
  837   3HE   MET  20          HE3       MET  20  33.084  23.616  28.617
  838    H    ASN  21           HN       ASN  21  26.429  22.277  29.157
  839    HA   ASN  21           HA       ASN  21  24.110  21.210  27.893
  840   1HB   ASN  21          HB2       ASN  21  22.617  21.160  29.848
  841   2HB   ASN  21          HB1       ASN  21  23.911  19.974  30.010
  842   1HD2  ASN  21          HD21      ASN  21  22.741  20.726  32.376
  843   2HD2  ASN  21          HD22      ASN  21  23.754  21.774  33.245
  844    H    GLN  22           HN       GLN  22  25.635  23.507  27.541
  845    HA   GLN  22           HA       GLN  22  24.780  25.812  28.855
  846   1HB   GLN  22          HB2       GLN  22  25.635  25.399  25.983
  847   2HB   GLN  22          HB1       GLN  22  25.425  26.986  26.724
  848   1HG   GLN  22          HG2       GLN  22  27.116  26.434  28.416
  849   2HG   GLN  22          HG1       GLN  22  27.302  24.826  27.720
  850   1HE2  GLN  22          HE21      GLN  22  29.044  27.494  27.871
  851   2HE2  GLN  22          HE22      GLN  22  29.676  27.585  26.299
  852    H    SER  23           HN       SER  23  23.458  24.278  25.932
  853    HA   SER  23           HA       SER  23  20.777  24.963  26.549
  854   1HB   SER  23          HB2       SER  23  20.418  26.589  24.667
  855   2HB   SER  23          HB1       SER  23  21.385  27.236  25.985
  856    HG   SER  23           HG       SER  23  22.824  27.592  24.503
  857    H    GLU  24           HN       GLU  24  21.236  22.584  26.011
  858    HA   GLU  24           HA       GLU  24  20.096  22.046  23.448
  859   1HB   GLU  24          HB2       GLU  24  22.695  22.464  23.083
  860   2HB   GLU  24          HB1       GLU  24  22.856  20.834  23.711
  861   1HG   GLU  24          HG2       GLU  24  22.666  20.551  21.337
  862   2HG   GLU  24          HG1       GLU  24  21.072  20.152  21.978
  863    H    ASP  25           HN       ASP  25  21.686  19.378  23.584
  864    HA   ASP  25           HA       ASP  25  20.632  18.128  26.004
  865   1HB   ASP  25          HB2       ASP  25  19.614  17.260  23.277
  866   2HB   ASP  25          HB1       ASP  25  19.186  16.560  24.842
  867    H    LYS  26           HN       LYS  26  20.645  15.510  24.870
  868    HA   LYS  26           HA       LYS  26  23.558  15.124  24.697
  869   1HB   LYS  26          HB2       LYS  26  22.168  13.905  26.364
  870   2HB   LYS  26          HB1       LYS  26  21.376  13.060  25.043
  871   1HG   LYS  26          HG2       LYS  26  23.565  12.196  24.290
  872   2HG   LYS  26          HG1       LYS  26  24.364  13.063  25.594
  873   1HD   LYS  26          HD2       LYS  26  22.136  11.196  26.414
  874   2HD   LYS  26          HD1       LYS  26  23.602  10.432  25.809
  875   1HE   LYS  26          HE2       LYS  26  23.616  10.763  28.290
  876   2HE   LYS  26          HE1       LYS  26  24.953  11.572  27.472
  877   1HZ   LYS  26          HZ1       LYS  26  23.861  13.636  27.613
  878   2HZ   LYS  26          HZ2       LYS  26  23.735  12.942  29.159
  879   3HZ   LYS  26          HZ3       LYS  26  22.400  12.930  28.106
  880    H    ILE  27           HN       ILE  27  21.596  12.627  23.377
  881    HA   ILE  27           HA       ILE  27  22.989  12.622  20.923
  882    HB   ILE  27           HB       ILE  27  20.316  11.367  21.550
  883   1HG1  ILE  27          HG12      ILE  27  22.002  10.722  23.209
  884   2HG1  ILE  27          HG11      ILE  27  21.646   9.364  22.155
  885   1HG2  ILE  27          HG21      ILE  27  21.064   9.725  19.807
  886   2HG2  ILE  27          HG22      ILE  27  22.401  10.813  19.434
  887   3HG2  ILE  27          HG23      ILE  27  20.737  11.340  19.183
  888   1HD1  ILE  27          HD11      ILE  27  23.746  10.210  20.801
  889   2HD1  ILE  27          HD12      ILE  27  23.978   9.296  22.286
  890   3HD1  ILE  27          HD13      ILE  27  24.129  11.047  22.300
  891    H    HIS  28           HN       HIS  28  19.856  13.966  21.862
  892    HA   HIS  28           HA       HIS  28  19.065  14.711  19.232
  893   1HB   HIS  28          HB2       HIS  28  18.248  15.806  21.934
  894   2HB   HIS  28          HB1       HIS  28  17.442  16.174  20.407
  895    HD1  HIS  28           HD1      HIS  28  16.275  14.140  19.160
  896    HD2  HIS  28           HD2      HIS  28  17.587  13.300  23.027
  897    HE1  HIS  28           HE1      HIS  28  15.141  11.982  19.848
  898    HE2  HIS  28           HE2      HIS  28  15.931  11.457  22.204
  899    H    ALA  29           HN       ALA  29  21.754  15.653  20.722
  900    HA   ALA  29           HA       ALA  29  21.641  18.520  20.449
  901   1HB   ALA  29          HB1       ALA  29  24.033  18.467  20.911
  902   2HB   ALA  29          HB2       ALA  29  24.057  16.717  20.694
  903   3HB   ALA  29          HB3       ALA  29  23.174  17.429  22.045
  904    H    MET  30           HN       MET  30  23.140  15.893  18.610
  905    HA   MET  30           HA       MET  30  24.177  17.560  16.576
  906   1HB   MET  30          HB2       MET  30  24.497  15.505  15.314
  907   2HB   MET  30          HB1       MET  30  24.952  15.237  16.994
  908   1HG   MET  30          HG2       MET  30  23.614  13.349  16.658
  909   2HG   MET  30          HG1       MET  30  22.388  14.476  17.197
  910   1HE   MET  30          HE1       MET  30  20.729  12.967  16.378
  911   2HE   MET  30          HE2       MET  30  21.592  11.806  15.372
  912   3HE   MET  30          HE3       MET  30  20.240  12.713  14.699
  913    H    ASN  31           HN       ASN  31  21.162  15.692  16.816
  914    HA   ASN  31           HA       ASN  31  20.192  16.132  14.265
  915   1HB   ASN  31          HB2       ASN  31  19.064  14.732  15.944
  916   2HB   ASN  31          HB1       ASN  31  18.607  16.180  16.839
  917   1HD2  ASN  31          HD21      ASN  31  17.331  13.979  14.737
  918   2HD2  ASN  31          HD22      ASN  31  16.177  14.956  13.966
  919    H    SER  32           HN       SER  32  19.622  18.216  17.120
  920    HA   SER  32           HA       SER  32  18.236  20.254  15.750
  921   1HB   SER  32          HB2       SER  32  18.130  20.274  18.117
  922   2HB   SER  32          HB1       SER  32  19.883  20.210  18.265
  923    HG   SER  32           HG       SER  32  19.071  22.321  18.606
  924    H    TYR  33           HN       TYR  33  21.695  19.943  16.541
  925    HA   TYR  33           HA       TYR  33  22.455  22.383  15.233
  926   1HB   TYR  33          HB2       TYR  33  23.817  21.469  17.037
  927   2HB   TYR  33          HB1       TYR  33  24.088  19.985  16.119
  928    HD1  TYR  33           HD2      TYR  33  25.451  20.001  14.068
  929    HD2  TYR  33           HD1      TYR  33  25.014  23.530  16.476
  930    HE1  TYR  33           HE2      TYR  33  27.373  21.048  12.895
  931    HE2  TYR  33           HE1      TYR  33  26.938  24.570  15.305
  932    HH   TYR  33           HH       TYR  33  29.123  22.899  13.501
  933    H    TYR  34           HN       TYR  34  21.798  19.174  14.176
  934    HA   TYR  34           HA       TYR  34  23.454  19.191  11.829
  935   1HB   TYR  34          HB2       TYR  34  22.579  17.095  12.958
  936   2HB   TYR  34          HB1       TYR  34  20.995  17.479  12.304
  937    HD1  TYR  34           HD2      TYR  34  20.596  17.357   9.869
  938    HD2  TYR  34           HD1      TYR  34  24.418  16.371  11.577
  939    HE1  TYR  34           HE2      TYR  34  21.274  16.289   7.736
  940    HE2  TYR  34           HE1      TYR  34  25.094  15.313   9.438
  941    HH   TYR  34           HH       TYR  34  23.298  14.221   7.285
  942    H    ARG  35           HN       ARG  35  19.936  19.482  12.303
  943    HA   ARG  35           HA       ARG  35  19.380  20.184   9.623
  944   1HB   ARG  35          HB2       ARG  35  17.183  20.858  10.476
  945   2HB   ARG  35          HB1       ARG  35  17.674  19.310  11.165
  946   1HG   ARG  35          HG2       ARG  35  18.534  20.562  13.179
  947   2HG   ARG  35          HG1       ARG  35  17.823  22.029  12.511
  948   1HD   ARG  35          HD2       ARG  35  16.286  19.494  13.121
  949   2HD   ARG  35          HD1       ARG  35  16.336  20.913  14.164
  950    HE   ARG  35           HE       ARG  35  14.774  20.607  11.773
  951   1HH1  ARG  35          HH21      ARG  35  16.528  22.850  13.739
  952   2HH1  ARG  35          HH22      ARG  35  15.594  24.223  13.246
  953   1HH2  ARG  35          HH11      ARG  35  13.543  22.400  11.126
  954   2HH2  ARG  35          HH12      ARG  35  13.905  23.968  11.767
  955    H    SER  36           HN       SER  36  20.466  21.999  12.384
  956    HA   SER  36           HA       SER  36  19.686  24.580  11.504
  957   1HB   SER  36          HB2       SER  36  21.215  25.418  13.162
  958   2HB   SER  36          HB1       SER  36  20.426  23.993  13.833
  959    HG   SER  36           HG       SER  36  22.966  24.383  13.667
  960    H    VAL  37           HN       VAL  37  22.708  22.733  11.168
  961    HA   VAL  37           HA       VAL  37  24.038  24.766   9.657
  962    HB   VAL  37           HB       VAL  37  24.584  21.809  10.028
  963   1HG1  VAL  37          HG11      VAL  37  26.157  23.882   8.470
  964   2HG1  VAL  37          HG12      VAL  37  25.568  22.320   7.894
  965   3HG1  VAL  37          HG13      VAL  37  26.878  22.384   9.061
  966   1HG2  VAL  37          HG21      VAL  37  26.493  22.707  11.353
  967   2HG2  VAL  37          HG22      VAL  37  24.931  23.173  12.015
  968   3HG2  VAL  37          HG23      VAL  37  25.882  24.336  11.092
  969    H    VAL  38           HN       VAL  38  22.454  21.710   8.760
  970    HA   VAL  38           HA       VAL  38  22.895  21.924   5.995
  971    HB   VAL  38           HB       VAL  38  20.617  20.602   7.496
  972   1HG1  VAL  38          HG11      VAL  38  21.492  20.362   4.602
  973   2HG1  VAL  38          HG12      VAL  38  19.908  20.869   5.191
  974   3HG1  VAL  38          HG13      VAL  38  20.430  19.199   5.395
  975   1HG2  VAL  38          HG21      VAL  38  23.144  19.441   6.298
  976   2HG2  VAL  38          HG22      VAL  38  21.931  18.584   7.240
  977   3HG2  VAL  38          HG23      VAL  38  22.935  19.809   8.008
  978    H    SER  39           HN       SER  39  20.073  22.938   7.940
  979    HA   SER  39           HA       SER  39  18.644  24.039   5.759
  980   1HB   SER  39          HB2       SER  39  18.452  24.815   8.673
  981   2HB   SER  39          HB1       SER  39  17.237  25.084   7.426
  982    HG   SER  39           HG       SER  39  17.279  22.739   7.152
  983    H    THR  40           HN       THR  40  21.372  25.127   7.497
  984    HA   THR  40           HA       THR  40  20.959  27.958   6.858
  985    HB   THR  40           HB       THR  40  23.216  26.487   8.226
  986    HG1  THR  40           HG1      THR  40  21.564  28.502   9.265
  987   1HG2  THR  40          HG21      THR  40  22.925  29.395   7.436
  988   2HG2  THR  40          HG22      THR  40  24.303  28.324   7.177
  989   3HG2  THR  40          HG23      THR  40  23.926  28.895   8.801
  990    H    LEU  41           HN       LEU  41  23.326  25.417   6.043
  991    HA   LEU  41           HA       LEU  41  24.691  26.970   4.093
  992   1HB   LEU  41          HB2       LEU  41  24.551  23.972   4.489
  993   2HB   LEU  41          HB1       LEU  41  25.683  24.790   3.412
  994    HG   LEU  41           HG       LEU  41  25.482  25.217   6.413
  995   1HD1  LEU  41          HD11      LEU  41  27.575  23.979   6.560
  996   2HD1  LEU  41          HD12      LEU  41  27.631  23.800   4.808
  997   3HD1  LEU  41          HD13      LEU  41  26.369  22.992   5.735
  998   1HD2  LEU  41          HD21      LEU  41  27.162  26.530   4.270
  999   2HD2  LEU  41          HD22      LEU  41  27.869  26.299   5.869
 1000   3HD2  LEU  41          HD23      LEU  41  26.401  27.252   5.688
 1001    H    VAL  42           HN       VAL  42  22.076  24.613   3.901
 1002    HA   VAL  42           HA       VAL  42  21.938  24.731   1.016
 1003    HB   VAL  42           HB       VAL  42  19.967  23.621   3.029
 1004   1HG1  VAL  42          HG11      VAL  42  18.646  23.648   1.105
 1005   2HG1  VAL  42          HG12      VAL  42  19.520  22.155   0.789
 1006   3HG1  VAL  42          HG13      VAL  42  20.037  23.655   0.019
 1007   1HG2  VAL  42          HG21      VAL  42  22.132  22.233   1.411
 1008   2HG2  VAL  42          HG22      VAL  42  21.036  21.468   2.556
 1009   3HG2  VAL  42          HG23      VAL  42  22.248  22.614   3.128
 1010    H    GLN  43           HN       GLN  43  21.565  27.184   2.860
 1011    HA   GLN  43           HA       GLN  43  19.295  28.305   1.376
 1012   1HB   GLN  43          HB2       GLN  43  19.524  28.382   4.385
 1013   2HB   GLN  43          HB1       GLN  43  18.377  29.324   3.440
 1014   1HG   GLN  43          HG2       GLN  43  17.472  27.184   2.489
 1015   2HG   GLN  43          HG1       GLN  43  18.525  26.295   3.585
 1016   1HE2  GLN  43          HE21      GLN  43  17.134  25.470   5.174
 1017   2HE2  GLN  43          HE22      GLN  43  16.008  26.405   6.033
 1018    H    ASP  44           HN       ASP  44  22.418  28.522   2.367
 1019    HA   ASP  44           HA       ASP  44  22.454  31.501   2.260
 1020   1HB   ASP  44          HB2       ASP  44  24.386  29.550   3.532
 1021   2HB   ASP  44          HB1       ASP  44  24.657  31.287   3.403
 1022    H    GLN  45           HN       GLN  45  23.744  28.514   0.942
 1023    HA   GLN  45           HA       GLN  45  24.730  29.965  -1.399
 1024   1HB   GLN  45          HB2       GLN  45  26.653  29.991   0.140
 1025   2HB   GLN  45          HB1       GLN  45  26.564  28.235   0.273
 1026   1HG   GLN  45          HG2       GLN  45  27.056  27.955  -2.078
 1027   2HG   GLN  45          HG1       GLN  45  26.921  29.691  -2.363
 1028   1HE2  GLN  45          HE21      GLN  45  29.278  28.841  -3.208
 1029   2HE2  GLN  45          HE22      GLN  45  30.528  29.115  -2.092
 1030    H    LEU  46           HN       LEU  46  23.051  28.808  -2.439
 1031    HA   LEU  46           HA       LEU  46  23.484  25.883  -2.693
 1032   1HB   LEU  46          HB2       LEU  46  21.162  27.175  -2.059
 1033   2HB   LEU  46          HB1       LEU  46  20.988  27.097  -3.806
 1034    HG   LEU  46           HG       LEU  46  21.587  24.722  -2.010
 1035   1HD1  LEU  46          HD11      LEU  46  19.249  24.061  -2.556
 1036   2HD1  LEU  46          HD12      LEU  46  19.021  25.617  -3.356
 1037   3HD1  LEU  46          HD13      LEU  46  19.328  25.553  -1.619
 1038   1HD2  LEU  46          HD21      LEU  46  22.465  24.424  -4.272
 1039   2HD2  LEU  46          HD22      LEU  46  20.935  24.953  -4.967
 1040   3HD2  LEU  46          HD23      LEU  46  21.021  23.431  -4.081
 1041    H    THR  47           HN       THR  47  25.219  27.632  -4.021
 1042    HA   THR  47           HA       THR  47  24.470  28.173  -6.678
 1043    HB   THR  47           HB       THR  47  26.451  29.165  -5.588
 1044    HG1  THR  47           HG1      THR  47  27.940  28.493  -7.409
 1045   1HG2  THR  47          HG21      THR  47  27.774  26.470  -5.954
 1046   2HG2  THR  47          HG22      THR  47  27.106  27.013  -4.412
 1047   3HG2  THR  47          HG23      THR  47  28.437  27.897  -5.157
 1048    H    LYS  48           HN       LYS  48  25.140  25.246  -5.071
 1049    HA   LYS  48           HA       LYS  48  24.590  23.693  -7.405
 1050   1HB   LYS  48          HB2       LYS  48  27.029  24.402  -7.690
 1051   2HB   LYS  48          HB1       LYS  48  27.380  23.404  -6.288
 1052   1HG   LYS  48          HG2       LYS  48  27.768  21.886  -8.026
 1053   2HG   LYS  48          HG1       LYS  48  26.092  21.531  -7.631
 1054   1HD   LYS  48          HD2       LYS  48  25.452  23.210  -9.472
 1055   2HD   LYS  48          HD1       LYS  48  27.145  23.194  -9.937
 1056   1HE   LYS  48          HE2       LYS  48  25.406  20.719  -9.754
 1057   2HE   LYS  48          HE1       LYS  48  25.750  21.593 -11.249
 1058   1HZ   LYS  48          HZ1       LYS  48  27.611  20.435 -11.403
 1059   2HZ   LYS  48          HZ2       LYS  48  27.361  19.716  -9.884
 1060   3HZ   LYS  48          HZ3       LYS  48  28.181  21.201 -10.003
 1061    H    ASN  49           HN       ASN  49  23.475  21.971  -6.637
 1062    HA   ASN  49           HA       ASN  49  23.262  21.324  -3.936
 1063   1HB   ASN  49          HB2       ASN  49  22.938  19.367  -6.199
 1064   2HB   ASN  49          HB1       ASN  49  22.144  19.325  -4.625
 1065   1HD2  ASN  49          HD21      ASN  49  20.496  21.004  -4.191
 1066   2HD2  ASN  49          HD22      ASN  49  19.764  21.836  -5.475
 1067    H    ALA  50           HN       ALA  50  25.844  20.678  -6.082
 1068    HA   ALA  50           HA       ALA  50  26.814  18.290  -4.709
 1069   1HB   ALA  50          HB1       ALA  50  27.258  18.879  -7.150
 1070   2HB   ALA  50          HB2       ALA  50  28.658  18.357  -6.212
 1071   3HB   ALA  50          HB3       ALA  50  28.416  20.071  -6.558
 1072    H    VAL  51           HN       VAL  51  28.206  21.570  -5.100
 1073    HA   VAL  51           HA       VAL  51  30.315  21.435  -3.337
 1074    HB   VAL  51           HB       VAL  51  30.114  23.857  -3.036
 1075   1HG1  VAL  51          HG11      VAL  51  29.594  22.677  -5.769
 1076   2HG1  VAL  51          HG12      VAL  51  31.019  23.520  -5.171
 1077   3HG1  VAL  51          HG13      VAL  51  29.568  24.433  -5.596
 1078   1HG2  VAL  51          HG21      VAL  51  27.261  23.279  -3.646
 1079   2HG2  VAL  51          HG22      VAL  51  27.857  24.772  -4.292
 1080   3HG2  VAL  51          HG23      VAL  51  27.919  24.469  -2.560
 1081    H    VAL  52           HN       VAL  52  26.903  21.895  -2.539
 1082    HA   VAL  52           HA       VAL  52  27.375  22.248   0.290
 1083    HB   VAL  52           HB       VAL  52  24.906  22.114   0.488
 1084   1HG1  VAL  52          HG11      VAL  52  24.393  24.111  -0.763
 1085   2HG1  VAL  52          HG12      VAL  52  25.667  23.782  -1.936
 1086   3HG1  VAL  52          HG13      VAL  52  26.086  24.242  -0.288
 1087   1HG2  VAL  52          HG21      VAL  52  23.589  21.859  -1.619
 1088   2HG2  VAL  52          HG22      VAL  52  24.497  20.400  -1.228
 1089   3HG2  VAL  52          HG23      VAL  52  25.090  21.508  -2.460
 1090    H    LEU  53           HN       LEU  53  26.663  19.593  -1.857
 1091    HA   LEU  53           HA       LEU  53  25.794  17.701  -0.010
 1092   1HB   LEU  53          HB2       LEU  53  25.746  17.361  -2.482
 1093   2HB   LEU  53          HB1       LEU  53  27.492  17.184  -2.463
 1094    HG   LEU  53           HG       LEU  53  27.279  15.238  -0.989
 1095   1HD1  LEU  53          HD11      LEU  53  24.834  14.233  -0.923
 1096   2HD1  LEU  53          HD12      LEU  53  24.346  15.914  -1.130
 1097   3HD1  LEU  53          HD13      LEU  53  25.310  15.440   0.269
 1098   1HD2  LEU  53          HD21      LEU  53  25.667  15.124  -3.549
 1099   2HD2  LEU  53          HD22      LEU  53  26.273  13.709  -2.688
 1100   3HD2  LEU  53          HD23      LEU  53  27.405  14.869  -3.377
 1101    H    LYS  54           HN       LYS  54  29.030  18.728  -0.913
 1102    HA   LYS  54           HA       LYS  54  30.508  16.726   0.368
 1103   1HB   LYS  54          HB2       LYS  54  31.476  19.582   0.295
 1104   2HB   LYS  54          HB1       LYS  54  32.378  18.104  -0.005
 1105   1HG   LYS  54          HG2       LYS  54  30.331  19.389  -1.830
 1106   2HG   LYS  54          HG1       LYS  54  32.056  19.322  -2.085
 1107   1HD   LYS  54          HD2       LYS  54  30.226  16.905  -1.976
 1108   2HD   LYS  54          HD1       LYS  54  30.853  17.641  -3.436
 1109   1HE   LYS  54          HE2       LYS  54  32.446  15.959  -3.131
 1110   2HE   LYS  54          HE1       LYS  54  33.216  17.251  -2.218
 1111   1HZ   LYS  54          HZ1       LYS  54  32.822  14.877  -1.205
 1112   2HZ   LYS  54          HZ2       LYS  54  31.304  15.537  -0.821
 1113   3HZ   LYS  54          HZ3       LYS  54  32.723  16.275  -0.249
 1114    H    ARG  55           HN       ARG  55  29.319  19.840   1.580
 1115    HA   ARG  55           HA       ARG  55  30.439  19.616   4.179
 1116   1HB   ARG  55          HB2       ARG  55  28.202  21.229   2.966
 1117   2HB   ARG  55          HB1       ARG  55  28.495  21.297   4.703
 1118   1HG   ARG  55          HG2       ARG  55  29.676  23.107   3.451
 1119   2HG   ARG  55          HG1       ARG  55  30.779  22.058   4.336
 1120   1HD   ARG  55          HD2       ARG  55  30.145  21.527   1.429
 1121   2HD   ARG  55          HD1       ARG  55  31.401  22.672   1.891
 1122    HE   ARG  55           HE       ARG  55  31.536  19.794   2.103
 1123   1HH1  ARG  55          HH21      ARG  55  32.625  22.820   3.377
 1124   2HH1  ARG  55          HH22      ARG  55  34.118  22.184   3.983
 1125   1HH2  ARG  55          HH11      ARG  55  33.496  18.955   2.881
 1126   2HH2  ARG  55          HH12      ARG  55  34.611  19.996   3.702
 1127    H    ILE  56           HN       ILE  56  27.255  18.721   2.866
 1128    HA   ILE  56           HA       ILE  56  26.139  17.877   5.319
 1129    HB   ILE  56           HB       ILE  56  25.552  16.920   2.506
 1130   1HG1  ILE  56          HG12      ILE  56  24.176  19.062   4.164
 1131   2HG1  ILE  56          HG11      ILE  56  25.366  19.410   2.922
 1132   1HG2  ILE  56          HG21      ILE  56  24.595  15.380   4.111
 1133   2HG2  ILE  56          HG22      ILE  56  23.294  16.402   3.519
 1134   3HG2  ILE  56          HG23      ILE  56  23.999  16.709   5.105
 1135   1HD1  ILE  56          HD11      ILE  56  23.193  19.627   1.927
 1136   2HD1  ILE  56          HD12      ILE  56  22.703  18.054   2.553
 1137   3HD1  ILE  56          HD13      ILE  56  23.926  18.157   1.296
 1138    H    GLN  57           HN       GLN  57  27.694  16.005   2.701
 1139    HA   GLN  57           HA       GLN  57  27.540  13.488   3.904
 1140   1HB   GLN  57          HB2       GLN  57  29.568  14.666   1.990
 1141   2HB   GLN  57          HB1       GLN  57  29.592  12.969   2.475
 1142   1HG   GLN  57          HG2       GLN  57  27.292  12.700   1.645
 1143   2HG   GLN  57          HG1       GLN  57  27.274  14.391   1.162
 1144   1HE2  GLN  57          HE21      GLN  57  30.400  13.488   0.610
 1145   2HE2  GLN  57          HE22      GLN  57  30.276  12.969  -1.002
 1146    H    HIS  58           HN       HIS  58  30.055  15.985   4.144
 1147    HA   HIS  58           HA       HIS  58  31.756  14.458   5.832
 1148   1HB   HIS  58          HB2       HIS  58  31.538  17.453   5.398
 1149   2HB   HIS  58          HB1       HIS  58  32.820  16.670   6.323
 1150    HD1  HIS  58           HD1      HIS  58  34.045  18.025   4.085
 1151    HD2  HIS  58           HD2      HIS  58  32.219  14.325   3.493
 1152    HE1  HIS  58           HE1      HIS  58  35.007  17.086   1.939
 1153    HE2  HIS  58           HE2      HIS  58  33.903  14.829   1.566
 1154    H    LEU  59           HN       LEU  59  29.218  16.863   6.430
 1155    HA   LEU  59           HA       LEU  59  29.557  17.221   9.152
 1156   1HB   LEU  59          HB2       LEU  59  27.890  18.422   7.715
 1157   2HB   LEU  59          HB1       LEU  59  26.884  16.979   7.758
 1158    HG   LEU  59           HG       LEU  59  26.800  17.139  10.239
 1159   1HD1  LEU  59          HD11      LEU  59  28.651  19.453   9.755
 1160   2HD1  LEU  59          HD12      LEU  59  28.626  18.284  11.075
 1161   3HD1  LEU  59          HD13      LEU  59  27.468  19.602  11.052
 1162   1HD2  LEU  59          HD21      LEU  59  25.058  18.138   8.790
 1163   2HD2  LEU  59          HD22      LEU  59  25.927  19.672   8.825
 1164   3HD2  LEU  59          HD23      LEU  59  25.248  19.006  10.310
 1165    H    ASP  60           HN       ASP  60  28.363  14.449   7.445
 1166    HA   ASP  60           HA       ASP  60  26.909  13.164   9.468
 1167   1HB   ASP  60          HB2       ASP  60  27.028  12.451   7.077
 1168   2HB   ASP  60          HB1       ASP  60  28.652  11.841   7.378
 1169    H    GLU  61           HN       GLU  61  30.353  13.510   8.969
 1170    HA   GLU  61           HA       GLU  61  31.273  11.436  10.644
 1171   1HB   GLU  61          HB2       GLU  61  33.397  12.448  10.482
 1172   2HB   GLU  61          HB1       GLU  61  32.587  12.932   8.994
 1173   1HG   GLU  61          HG2       GLU  61  31.889  15.078  10.312
 1174   2HG   GLU  61          HG1       GLU  61  33.117  14.600  11.472
 1175    H    ALA  62           HN       ALA  62  30.251  14.739  11.329
 1176    HA   ALA  62           HA       ALA  62  31.126  14.793  14.036
 1177   1HB   ALA  62          HB1       ALA  62  30.592  16.817  12.709
 1178   2HB   ALA  62          HB2       ALA  62  29.708  16.763  14.234
 1179   3HB   ALA  62          HB3       ALA  62  28.891  16.351  12.723
 1180    H    TYR  63           HN       TYR  63  27.840  14.465  12.674
 1181    HA   TYR  63           HA       TYR  63  26.499  13.910  15.010
 1182   1HB   TYR  63          HB2       TYR  63  24.829  13.926  13.458
 1183   2HB   TYR  63          HB1       TYR  63  25.978  13.629  12.161
 1184    HD1  TYR  63           HD2      TYR  63  23.916  11.960  14.779
 1185    HD2  TYR  63           HD1      TYR  63  26.182  11.438  11.178
 1186    HE1  TYR  63           HE2      TYR  63  23.084   9.637  14.604
 1187    HE2  TYR  63           HE1      TYR  63  25.355   9.105  10.998
 1188    HH   TYR  63           HH       TYR  63  22.903   7.853  13.214
 1189    H    ASN  64           HN       ASN  64  28.206  11.666  12.841
 1190    HA   ASN  64           HA       ASN  64  27.521   9.268  14.170
 1191   1HB   ASN  64          HB2       ASN  64  29.769  10.057  12.309
 1192   2HB   ASN  64          HB1       ASN  64  29.722   8.445  13.018
 1193   1HD2  ASN  64          HD21      ASN  64  27.562   7.229  12.652
 1194   2HD2  ASN  64          HD22      ASN  64  26.788   7.469  11.160
 1195    H    LYS  65           HN       LYS  65  30.217  11.512  14.573
 1196    HA   LYS  65           HA       LYS  65  31.597   9.935  16.478
 1197   1HB   LYS  65          HB2       LYS  65  32.465  11.955  15.117
 1198   2HB   LYS  65          HB1       LYS  65  31.715  12.960  16.355
 1199   1HG   LYS  65          HG2       LYS  65  33.057  11.871  18.091
 1200   2HG   LYS  65          HG1       LYS  65  33.756  10.775  16.899
 1201   1HD   LYS  65          HD2       LYS  65  34.654  12.781  15.677
 1202   2HD   LYS  65          HD1       LYS  65  34.087  13.772  17.016
 1203   1HE   LYS  65          HE2       LYS  65  36.007  11.458  17.332
 1204   2HE   LYS  65          HE1       LYS  65  36.497  13.149  17.223
 1205   1HZ   LYS  65          HZ1       LYS  65  35.942  11.923  19.518
 1206   2HZ   LYS  65          HZ2       LYS  65  34.414  12.568  19.152
 1207   3HZ   LYS  65          HZ3       LYS  65  35.762  13.592  19.281
 1208    H    VAL  66           HN       VAL  66  29.031  12.333  16.701
 1209    HA   VAL  66           HA       VAL  66  29.145  12.752  19.483
 1210    HB   VAL  66           HB       VAL  66  26.838  12.989  17.509
 1211   1HG1  VAL  66          HG11      VAL  66  25.718  12.635  19.571
 1212   2HG1  VAL  66          HG12      VAL  66  25.789  14.389  19.402
 1213   3HG1  VAL  66          HG13      VAL  66  26.918  13.555  20.471
 1214   1HG2  VAL  66          HG21      VAL  66  28.431  15.109  18.979
 1215   2HG2  VAL  66          HG22      VAL  66  27.268  15.352  17.681
 1216   3HG2  VAL  66          HG23      VAL  66  28.803  14.562  17.347
 1217    H    LYS  67           HN       LYS  67  27.180  10.499  17.566
 1218    HA   LYS  67           HA       LYS  67  25.931   9.289  19.807
 1219   1HB   LYS  67          HB2       LYS  67  26.435   8.187  17.056
 1220   2HB   LYS  67          HB1       LYS  67  25.260   7.596  18.223
 1221   1HG   LYS  67          HG2       LYS  67  24.802  10.432  17.984
 1222   2HG   LYS  67          HG1       LYS  67  24.983   9.818  16.352
 1223   1HD   LYS  67          HD2       LYS  67  23.106   8.733  18.471
 1224   2HD   LYS  67          HD1       LYS  67  22.626   9.771  17.131
 1225   1HE   LYS  67          HE2       LYS  67  22.235   7.837  15.939
 1226   2HE   LYS  67          HE1       LYS  67  23.980   7.597  15.895
 1227   1HZ   LYS  67          HZ1       LYS  67  22.029   6.116  17.277
 1228   2HZ   LYS  67          HZ2       LYS  67  23.090   6.807  18.410
 1229   3HZ   LYS  67          HZ3       LYS  67  23.697   5.825  17.164
 1230    H    ARG  68           HN       ARG  68  28.657   8.325  17.767
 1231    HA   ARG  68           HA       ARG  68  29.244   5.907  19.094
 1232   1HB   ARG  68          HB2       ARG  68  30.903   7.768  17.381
 1233   2HB   ARG  68          HB1       ARG  68  31.523   6.240  17.991
 1234   1HG   ARG  68          HG2       ARG  68  29.706   5.028  16.860
 1235   2HG   ARG  68          HG1       ARG  68  29.039   6.552  16.277
 1236   1HD   ARG  68          HD2       ARG  68  31.116   6.991  15.026
 1237   2HD   ARG  68          HD1       ARG  68  31.800   5.480  15.619
 1238    HE   ARG  68           HE       ARG  68  29.888   5.781  13.479
 1239   1HH1  ARG  68          HH21      ARG  68  31.040   3.723  16.011
 1240   2HH1  ARG  68          HH22      ARG  68  30.509   2.260  15.250
 1241   1HH2  ARG  68          HH11      ARG  68  29.191   3.868  12.476
 1242   2HH2  ARG  68          HH12      ARG  68  29.462   2.343  13.250
 1243    H    GLY  69           HN       GLY  69  30.281   9.236  19.587
 1244   1HA   GLY  69          HA2       GLY  69  32.282   8.651  21.530
 1245   2HA   GLY  69          HA1       GLY  69  31.559  10.222  21.205
 1246    H    GLU  70           HN       GLU  70  28.831   9.104  21.610
 1247    HA   GLU  70           HA       GLU  70  28.737   9.487  24.506
 1248   1HB   GLU  70          HB2       GLU  70  26.648   9.270  22.336
 1249   2HB   GLU  70          HB1       GLU  70  26.228   9.392  24.045
 1250   1HG   GLU  70          HG2       GLU  70  28.119  11.412  22.804
 1251   2HG   GLU  70          HG1       GLU  70  26.385  11.604  22.615
 1252    H    SER  71           HN       SER  71  27.758   7.009  22.144
 1253    HA   SER  71           HA       SER  71  26.751   5.150  23.998
 1254   1HB   SER  71          HB2       SER  71  28.100   4.514  21.367
 1255   2HB   SER  71          HB1       SER  71  26.902   3.541  22.216
 1256    HG   SER  71           HG       SER  71  26.558   5.615  20.522
 1257    H    LYS  72           HN       LYS  72  27.745   3.025  24.499
 1258    HA   LYS  72           HA       LYS  72  29.359   1.830  25.610
 1259   1HB   LYS  72          HB2       LYS  72  31.168   3.154  23.566
 1260   2HB   LYS  72          HB1       LYS  72  31.537   1.699  24.491
 1261   1HG   LYS  72          HG2       LYS  72  29.643   0.538  23.460
 1262   2HG   LYS  72          HG1       LYS  72  29.241   1.992  22.544
 1263   1HD   LYS  72          HD2       LYS  72  31.466   1.919  21.462
 1264   2HD   LYS  72          HD1       LYS  72  31.843   0.444  22.355
 1265   1HE   LYS  72          HE2       LYS  72  29.946  -0.701  21.296
 1266   2HE   LYS  72          HE1       LYS  72  29.534   0.773  20.420
 1267   1HZ   LYS  72          HZ1       LYS  72  31.136  -1.146  19.470
 1268   2HZ   LYS  72          HZ2       LYS  72  32.280  -0.084  20.141
 1269   3HZ   LYS  72          HZ3       LYS  72  31.188   0.472  18.965
 1270    H    LEU  73           HN       LEU  73  32.245   2.981  25.517
 1271    HA   LEU  73           HA       LEU  73  33.550   3.935  27.176
 1272   1HB   LEU  73          HB2       LEU  73  31.732   6.123  26.186
 1273   2HB   LEU  73          HB1       LEU  73  32.964   6.469  27.398
 1274    HG   LEU  73           HG       LEU  73  34.698   5.588  25.869
 1275   1HD1  LEU  73          HD11      LEU  73  32.321   5.207  24.029
 1276   2HD1  LEU  73          HD12      LEU  73  33.515   4.007  24.524
 1277   3HD1  LEU  73          HD13      LEU  73  33.976   5.303  23.426
 1278   1HD2  LEU  73          HD21      LEU  73  34.172   7.990  25.887
 1279   2HD2  LEU  73          HD22      LEU  73  32.905   7.737  24.687
 1280   3HD2  LEU  73          HD23      LEU  73  34.594   7.476  24.254
 1281    H    GLU  74           HN       GLU  74  31.264   6.215  28.243
 1282    HA   GLU  74           HA       GLU  74  30.623   6.613  30.445
 1283   1HB   GLU  74          HB2       GLU  74  29.177   4.081  29.624
 1284   2HB   GLU  74          HB1       GLU  74  28.733   5.046  31.031
 1285   1HG   GLU  74          HG2       GLU  74  28.886   6.145  28.209
 1286   2HG   GLU  74          HG1       GLU  74  27.395   5.576  28.957
 1287    H    HIS  75           HN       HIS  75  30.197   3.207  30.891
 1288    HA   HIS  75           HA       HIS  75  31.048   1.723  32.390
 1289   1HB   HIS  75          HB2       HIS  75  33.083   2.113  30.915
 1290   2HB   HIS  75          HB1       HIS  75  33.647   3.263  32.123
 1291    HD1  HIS  75           HD1      HIS  75  34.705   2.319  34.229
 1292    HD2  HIS  75           HD2      HIS  75  32.939  -0.629  31.868
 1293    HE1  HIS  75           HE1      HIS  75  35.378   0.094  35.237
 1294    HE2  HIS  75           HE2      HIS  75  34.311  -1.713  33.808
 1295    H    HIS  76           HN       HIS  76  32.593   1.741  34.517
 1296    HA   HIS  76           HA       HIS  76  31.898   4.109  36.156
 1297   1HB   HIS  76          HB2       HIS  76  31.453   1.219  36.944
 1298   2HB   HIS  76          HB1       HIS  76  31.166   2.632  37.961
 1299    HD1  HIS  76           HD1      HIS  76  29.439   4.467  36.731
 1300    HD2  HIS  76           HD2      HIS  76  29.187   0.475  35.555
 1301    HE1  HIS  76           HE1      HIS  76  27.176   4.186  35.630
 1302    HE2  HIS  76           HE2      HIS  76  27.007   1.758  34.907
 1303    H    HIS  77           HN       HIS  77  34.401   3.568  35.003
 1304    HA   HIS  77           HA       HIS  77  36.101   2.244  36.935
 1305   1HB   HIS  77          HB2       HIS  77  36.653   2.284  34.516
 1306   2HB   HIS  77          HB1       HIS  77  36.831   4.038  34.599
 1307    HD1  HIS  77           HD1      HIS  77  38.203   1.035  36.533
 1308    HD2  HIS  77           HD2      HIS  77  39.452   4.740  35.088
 1309    HE1  HIS  77           HE1      HIS  77  40.654   1.249  37.134
 1310    HE2  HIS  77           HE2      HIS  77  41.431   3.503  36.259
 1311    H    HIS  78           HN       HIS  78  35.343   3.527  38.787
 1312    HA   HIS  78           HA       HIS  78  35.571   5.214  40.334
 1313   1HB   HIS  78          HB2       HIS  78  38.200   5.522  38.865
 1314   2HB   HIS  78          HB1       HIS  78  37.823   6.261  40.420
 1315    HD1  HIS  78           HD1      HIS  78  38.750   3.025  38.833
 1316    HD2  HIS  78           HD2      HIS  78  37.544   4.371  42.590
 1317    HE1  HIS  78           HE1      HIS  78  39.217   1.136  40.454
 1318    HE2  HIS  78           HE2      HIS  78  38.487   1.941  42.749
 1319    H    HIS  79           HN       HIS  79  33.783   6.254  39.044
 1320    HA   HIS  79           HA       HIS  79  32.813   8.107  38.093
 1321   1HB   HIS  79          HB2       HIS  79  33.759   9.171  40.095
 1322   2HB   HIS  79          HB1       HIS  79  35.277   9.447  39.246
 1323    HD1  HIS  79           HD1      HIS  79  31.579  10.262  38.753
 1324    HD2  HIS  79           HD2      HIS  79  35.331  11.904  37.973
 1325    HE1  HIS  79           HE1      HIS  79  31.165  12.542  37.731
 1326    HE2  HIS  79           HE2      HIS  79  33.442  13.556  37.250
 1327    H    HIS  80           HN       HIS  80  36.063   9.367  37.620
 1328    HA   HIS  80           HA       HIS  80  35.620   9.939  34.877
 1329   1HB   HIS  80          HB2       HIS  80  38.023  10.510  34.845
 1330   2HB   HIS  80          HB1       HIS  80  37.204  11.220  36.236
 1331    HD1  HIS  80           HD1      HIS  80  37.425   9.755  38.535
 1332    HD2  HIS  80           HD2      HIS  80  40.189   8.917  35.527
 1333    HE1  HIS  80           HE1      HIS  80  39.325   8.494  39.639
 1334    HE2  HIS  80           HE2      HIS  80  41.018   7.977  37.818
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1   2.751   0.114  -9.991
    2   2H    MET   1          HT2       MET   1   2.941  -1.369  -9.184
    3   3H    MET   1          HT3       MET   1   3.566   0.057  -8.505
    4    HA   MET   1           HA       MET   1   0.985   0.721  -8.786
    5   1HB   MET   1          HB2       MET   1   0.499  -1.618  -9.523
    6   2HB   MET   1          HB1       MET   1   1.090  -2.198  -7.967
    7   1HG   MET   1          HG2       MET   1  -0.644  -0.933  -6.794
    8   2HG   MET   1          HG1       MET   1  -1.191  -0.232  -8.315
    9   1HE   MET   1          HE1       MET   1  -0.293  -3.716  -6.719
   10   2HE   MET   1          HE2       MET   1  -1.906  -4.419  -6.648
   11   3HE   MET   1          HE3       MET   1  -1.566  -2.927  -5.777
   12    H    SER   2           HN       SER   2   0.751   1.878  -6.982
   13    HA   SER   2           HA       SER   2   1.365   0.812  -4.363
   14   1HB   SER   2          HB2       SER   2   2.989   2.629  -3.807
   15   2HB   SER   2          HB1       SER   2   3.605   1.482  -4.994
   16    HG   SER   2           HG       SER   2   2.223   3.777  -5.837
   17    H    GLU   3           HN       GLU   3   0.844   2.390  -2.648
   18    HA   GLU   3           HA       GLU   3  -1.013   4.549  -3.503
   19   1HB   GLU   3          HB2       GLU   3  -1.576   2.375  -1.472
   20   2HB   GLU   3          HB1       GLU   3  -2.565   3.822  -1.683
   21   1HG   GLU   3          HG2       GLU   3  -3.009   3.205  -4.017
   22   2HG   GLU   3          HG1       GLU   3  -1.983   1.782  -3.850
   23    H    LEU   4           HN       LEU   4   0.927   5.807  -2.967
   24    HA   LEU   4           HA       LEU   4   0.695   6.942  -0.384
   25   1HB   LEU   4          HB2       LEU   4   2.891   6.372   0.504
   26   2HB   LEU   4          HB1       LEU   4   1.917   4.928   0.263
   27    HG   LEU   4           HG       LEU   4   3.220   5.183  -2.222
   28   1HD1  LEU   4          HD11      LEU   4   5.566   5.548  -1.798
   29   2HD1  LEU   4          HD12      LEU   4   5.276   5.765  -0.073
   30   3HD1  LEU   4          HD13      LEU   4   4.681   6.962  -1.224
   31   1HD2  LEU   4          HD21      LEU   4   4.619   3.279  -1.452
   32   2HD2  LEU   4          HD22      LEU   4   2.919   3.074  -1.033
   33   3HD2  LEU   4          HD23      LEU   4   4.077   3.569   0.201
   34    H    PHE   5           HN       PHE   5   1.448   7.067  -3.530
   35    HA   PHE   5           HA       PHE   5   3.681   8.759  -3.700
   36   1HB   PHE   5          HB2       PHE   5   2.621   7.605  -5.635
   37   2HB   PHE   5          HB1       PHE   5   1.260   8.722  -5.517
   38    HD1  PHE   5           HD2      PHE   5   4.898   8.450  -6.182
   39    HD2  PHE   5           HD1      PHE   5   1.452  11.013  -6.295
   40    HE1  PHE   5           HE2      PHE   5   6.175  10.109  -7.513
   41    HE2  PHE   5           HE1      PHE   5   2.729  12.671  -7.625
   42    HZ   PHE   5           HZ       PHE   5   5.090  12.219  -8.234
   43    H    SER   6           HN       SER   6   0.244   9.436  -3.291
   44    HA   SER   6           HA       SER   6   0.256  12.193  -3.569
   45   1HB   SER   6          HB2       SER   6  -1.686  10.462  -3.035
   46   2HB   SER   6          HB1       SER   6  -1.408  10.971  -1.375
   47    HG   SER   6           HG       SER   6  -1.405  13.151  -2.847
   48    H    VAL   7           HN       VAL   7   1.152  13.822  -2.466
   49    HA   VAL   7           HA       VAL   7   2.982  13.507  -0.381
   50    HB   VAL   7           HB       VAL   7   1.402  15.843  -1.455
   51   1HG1  VAL   7          HG11      VAL   7   1.325  16.440   0.874
   52   2HG1  VAL   7          HG12      VAL   7   2.648  17.356   0.176
   53   3HG1  VAL   7          HG13      VAL   7   2.990  15.912   1.131
   54   1HG2  VAL   7          HG21      VAL   7   4.372  15.452  -1.057
   55   2HG2  VAL   7          HG22      VAL   7   3.597  16.721  -1.993
   56   3HG2  VAL   7          HG23      VAL   7   3.511  15.045  -2.536
   57    HA   PRO   8           HA       PRO   8  -0.657  14.876   2.657
   58   1HB   PRO   8          HB2       PRO   8  -3.058  13.581   1.766
   59   2HB   PRO   8          HB1       PRO   8  -2.720  15.321   1.732
   60   1HG   PRO   8          HG2       PRO   8  -2.393  13.294  -0.447
   61   2HG   PRO   8          HG1       PRO   8  -2.957  14.977  -0.547
   62   1HD   PRO   8          HD2       PRO   8  -0.518  14.408  -1.332
   63   2HD   PRO   8          HD1       PRO   8  -0.761  15.854  -0.347
   64    H    TYR   9           HN       TYR   9   0.043  11.939   1.020
   65    HA   TYR   9           HA       TYR   9  -1.035  10.124   2.948
   66   1HB   TYR   9          HB2       TYR   9  -0.393   9.581   0.556
   67   2HB   TYR   9          HB1       TYR   9   1.291   9.631   1.075
   68    HD1  TYR   9           HD2      TYR   9   2.112   8.080   2.859
   69    HD2  TYR   9           HD1      TYR   9  -1.790   7.692   1.105
   70    HE1  TYR   9           HE2      TYR   9   1.950   5.764   3.729
   71    HE2  TYR   9           HE1      TYR   9  -1.949   5.377   1.971
   72    HH   TYR   9           HH       TYR   9  -1.035   3.942   3.546
   73    H    PHE  10           HN       PHE  10   2.220  11.453   2.377
   74    HA   PHE  10           HA       PHE  10   3.497  10.098   4.507
   75   1HB   PHE  10          HB2       PHE  10   4.141  12.330   2.650
   76   2HB   PHE  10          HB1       PHE  10   4.993  12.422   4.187
   77    HD1  PHE  10           HD2      PHE  10   3.916   9.512   2.064
   78    HD2  PHE  10           HD1      PHE  10   7.190  11.626   3.855
   79    HE1  PHE  10           HE2      PHE  10   5.479   7.753   1.283
   80    HE2  PHE  10           HE1      PHE  10   8.755   9.870   3.074
   81    HZ   PHE  10           HZ       PHE  10   7.906   7.936   1.794
   82    H    ILE  11           HN       ILE  11   1.920  13.267   4.322
   83    HA   ILE  11           HA       ILE  11   2.604  14.091   6.941
   84    HB   ILE  11           HB       ILE  11   0.334  14.889   5.098
   85   1HG1  ILE  11          HG12      ILE  11   2.830  16.420   5.860
   86   2HG1  ILE  11          HG11      ILE  11   2.796  15.360   4.460
   87   1HG2  ILE  11          HG21      ILE  11   0.260  16.945   6.633
   88   2HG2  ILE  11          HG22      ILE  11   1.214  16.007   7.781
   89   3HG2  ILE  11          HG23      ILE  11  -0.399  15.457   7.315
   90   1HD1  ILE  11          HD11      ILE  11   2.330  17.729   3.876
   91   2HD1  ILE  11          HD12      ILE  11   0.909  17.681   4.929
   92   3HD1  ILE  11          HD13      ILE  11   0.974  16.665   3.493
   93    H    GLU  12           HN       GLU  12  -0.212  12.411   5.608
   94    HA   GLU  12           HA       GLU  12  -1.870  12.374   7.815
   95   1HB   GLU  12          HB2       GLU  12  -2.399  11.474   5.524
   96   2HB   GLU  12          HB1       GLU  12  -1.447  10.044   5.919
   97   1HG   GLU  12          HG2       GLU  12  -2.911   9.589   7.832
   98   2HG   GLU  12          HG1       GLU  12  -3.836  11.047   7.477
   99    H    ASN  13           HN       ASN  13   1.099  10.639   7.274
  100    HA   ASN  13           HA       ASN  13   0.731   8.676   9.333
  101   1HB   ASN  13          HB2       ASN  13   3.281   9.673   8.051
  102   2HB   ASN  13          HB1       ASN  13   3.109   8.217   9.021
  103   1HD2  ASN  13          HD21      ASN  13   3.849   8.457   6.099
  104   2HD2  ASN  13          HD22      ASN  13   2.696   7.519   5.277
  105    H    LEU  14           HN       LEU  14   2.147  11.896   9.151
  106    HA   LEU  14           HA       LEU  14   3.395  11.899  11.704
  107   1HB   LEU  14          HB2       LEU  14   2.358  14.300  10.174
  108   2HB   LEU  14          HB1       LEU  14   3.663  14.263  11.359
  109    HG   LEU  14           HG       LEU  14   3.684  12.840   8.679
  110   1HD1  LEU  14          HD11      LEU  14   5.289  14.507   7.996
  111   2HD1  LEU  14          HD12      LEU  14   5.256  15.257   9.584
  112   3HD1  LEU  14          HD13      LEU  14   3.829  15.323   8.550
  113   1HD2  LEU  14          HD21      LEU  14   6.189  12.653   9.310
  114   2HD2  LEU  14          HD22      LEU  14   5.075  11.558  10.103
  115   3HD2  LEU  14          HD23      LEU  14   5.673  12.979  10.961
  116    H    LYS  15           HN       LYS  15   0.196  12.841  10.549
  117    HA   LYS  15           HA       LYS  15  -0.738  14.104  12.855
  118   1HB   LYS  15          HB2       LYS  15  -2.173  12.546  10.702
  119   2HB   LYS  15          HB1       LYS  15  -3.031  13.375  12.002
  120   1HG   LYS  15          HG2       LYS  15  -1.968  15.507  11.344
  121   2HG   LYS  15          HG1       LYS  15  -1.126  14.679  10.031
  122   1HD   LYS  15          HD2       LYS  15  -3.250  14.083   8.995
  123   2HD   LYS  15          HD1       LYS  15  -4.138  14.793  10.344
  124   1HE   LYS  15          HE2       LYS  15  -3.165  17.001   9.820
  125   2HE   LYS  15          HE1       LYS  15  -2.296  16.294   8.464
  126   1HZ   LYS  15          HZ1       LYS  15  -4.717  15.474   7.880
  127   2HZ   LYS  15          HZ2       LYS  15  -4.138  16.993   7.385
  128   3HZ   LYS  15          HZ3       LYS  15  -5.138  16.866   8.752
  129    H    GLN  16           HN       GLN  16  -0.560  10.689  11.989
  130    HA   GLN  16           HA       GLN  16  -2.109   9.687  14.154
  131   1HB   GLN  16          HB2       GLN  16  -1.565   8.369  12.128
  132   2HB   GLN  16          HB1       GLN  16   0.124   8.323  12.633
  133   1HG   GLN  16          HG2       GLN  16  -0.447   7.100  14.647
  134   2HG   GLN  16          HG1       GLN  16  -2.167   7.290  14.327
  135   1HE2  GLN  16          HE21      GLN  16  -1.070   4.701  14.636
  136   2HE2  GLN  16          HE22      GLN  16  -1.103   3.906  13.137
  137    H    HIS  17           HN       HIS  17   1.231  10.672  13.846
  138    HA   HIS  17           HA       HIS  17   2.181   9.395  16.217
  139   1HB   HIS  17          HB2       HIS  17   3.238  11.888  14.856
  140   2HB   HIS  17          HB1       HIS  17   4.114  10.869  15.992
  141    HD1  HIS  17           HD1      HIS  17   5.341  11.146  13.243
  142    HD2  HIS  17           HD2      HIS  17   2.537   8.197  14.143
  143    HE1  HIS  17           HE1      HIS  17   5.672   9.300  11.541
  144    HE2  HIS  17           HE2      HIS  17   3.970   7.494  12.076
  145    H    ILE  18           HN       ILE  18   1.236  12.779  15.561
  146    HA   ILE  18           HA       ILE  18   1.395  13.549  18.326
  147    HB   ILE  18           HB       ILE  18   0.479  15.677  17.575
  148   1HG1  ILE  18          HG12      ILE  18  -0.132  14.131  15.048
  149   2HG1  ILE  18          HG11      ILE  18  -1.272  14.988  16.070
  150   1HG2  ILE  18          HG21      ILE  18   2.336  14.690  15.383
  151   2HG2  ILE  18          HG22      ILE  18   2.890  14.951  17.034
  152   3HG2  ILE  18          HG23      ILE  18   2.257  16.299  16.104
  153   1HD1  ILE  18          HD11      ILE  18   0.777  16.158  14.197
  154   2HD1  ILE  18          HD12      ILE  18   0.049  17.117  15.487
  155   3HD1  ILE  18          HD13      ILE  18  -0.967  16.422  14.221
  156    H    GLU  19           HN       GLU  19  -1.260  12.794  16.097
  157    HA   GLU  19           HA       GLU  19  -3.348  13.297  17.964
  158   1HB   GLU  19          HB2       GLU  19  -3.584  13.165  15.429
  159   2HB   GLU  19          HB1       GLU  19  -3.483  11.411  15.590
  160   1HG   GLU  19          HG2       GLU  19  -5.819  11.969  15.553
  161   2HG   GLU  19          HG1       GLU  19  -5.431  11.548  17.217
  162    H    MET  20           HN       MET  20  -1.525  10.422  17.051
  163    HA   MET  20           HA       MET  20  -2.844   8.897  19.236
  164   1HB   MET  20          HB2       MET  20  -2.606   8.218  16.543
  165   2HB   MET  20          HB1       MET  20  -1.267   7.333  17.250
  166   1HG   MET  20          HG2       MET  20  -2.806   6.320  18.898
  167   2HG   MET  20          HG1       MET  20  -4.156   7.196  18.181
  168   1HE   MET  20          HE1       MET  20  -5.544   6.419  16.381
  169   2HE   MET  20          HE2       MET  20  -4.974   5.559  14.956
  170   3HE   MET  20          HE3       MET  20  -4.310   7.143  15.341
  171    H    ASN  21           HN       ASN  21  -0.990   6.849  19.371
  172    HA   ASN  21           HA       ASN  21   1.630   7.965  19.954
  173   1HB   ASN  21          HB2       ASN  21   0.243   8.587  21.940
  174   2HB   ASN  21          HB1       ASN  21  -0.085   6.875  22.200
  175   1HD2  ASN  21          HD21      ASN  21   2.904   8.736  21.390
  176   2HD2  ASN  21          HD22      ASN  21   3.836   8.046  22.629
  177    H    GLN  22           HN       GLN  22   0.921   6.000  18.143
  178    HA   GLN  22           HA       GLN  22   0.929   3.361  19.081
  179   1HB   GLN  22          HB2       GLN  22   0.495   4.041  16.718
  180   2HB   GLN  22          HB1       GLN  22   2.215   4.385  16.535
  181   1HG   GLN  22          HG2       GLN  22   2.779   2.060  16.998
  182   2HG   GLN  22          HG1       GLN  22   1.093   1.688  17.345
  183   1HE2  GLN  22          HE21      GLN  22   2.497   0.289  15.298
  184   2HE2  GLN  22          HE22      GLN  22   1.842   0.730  13.795
  185    H    SER  23           HN       SER  23   3.657   5.420  18.091
  186    HA   SER  23           HA       SER  23   5.413   4.450  20.079
  187   1HB   SER  23          HB2       SER  23   6.992   3.206  18.553
  188   2HB   SER  23          HB1       SER  23   5.484   2.363  18.869
  189    HG   SER  23           HG       SER  23   6.414   3.594  16.549
  190    H    GLU  24           HN       GLU  24   5.247   6.910  19.846
  191    HA   GLU  24           HA       GLU  24   7.688   7.838  18.668
  192   1HB   GLU  24          HB2       GLU  24   5.910   7.705  16.730
  193   2HB   GLU  24          HB1       GLU  24   5.225   9.146  17.464
  194   1HG   GLU  24          HG2       GLU  24   6.776   9.948  15.818
  195   2HG   GLU  24          HG1       GLU  24   7.597  10.155  17.364
  196    H    ASP  25           HN       ASP  25   6.064  10.528  18.383
  197    HA   ASP  25           HA       ASP  25   5.490  11.170  21.167
  198   1HB   ASP  25          HB2       ASP  25   7.860  12.362  19.706
  199   2HB   ASP  25          HB1       ASP  25   7.216  12.966  21.235
  200    H    LYS  26           HN       LYS  26   5.674  13.893  21.006
  201    HA   LYS  26           HA       LYS  26   3.409  14.492  19.285
  202   1HB   LYS  26          HB2       LYS  26   3.643  15.347  21.629
  203   2HB   LYS  26          HB1       LYS  26   4.974  16.355  21.083
  204   1HG   LYS  26          HG2       LYS  26   3.478  17.514  19.501
  205   2HG   LYS  26          HG1       LYS  26   2.160  16.430  19.931
  206   1HD   LYS  26          HD2       LYS  26   1.906  18.542  21.131
  207   2HD   LYS  26          HD1       LYS  26   2.270  17.253  22.274
  208   1HE   LYS  26          HE2       LYS  26   4.483  18.035  22.626
  209   2HE   LYS  26          HE1       LYS  26   4.493  18.969  21.127
  210   1HZ   LYS  26          HZ1       LYS  26   2.667  19.566  23.379
  211   2HZ   LYS  26          HZ2       LYS  26   3.039  20.549  22.045
  212   3HZ   LYS  26          HZ3       LYS  26   4.208  20.261  23.243
  213    H    ILE  27           HN       ILE  27   5.498  17.153  19.628
  214    HA   ILE  27           HA       ILE  27   5.692  17.545  16.847
  215    HB   ILE  27           HB       ILE  27   5.763  19.408  18.426
  216   1HG1  ILE  27          HG12      ILE  27   7.642  20.663  17.474
  217   2HG1  ILE  27          HG11      ILE  27   8.420  19.179  16.948
  218   1HG2  ILE  27          HG21      ILE  27   8.479  18.354  19.258
  219   2HG2  ILE  27          HG22      ILE  27   7.005  18.160  20.206
  220   3HG2  ILE  27          HG23      ILE  27   7.651  19.771  19.901
  221   1HD1  ILE  27          HD11      ILE  27   6.850  18.815  15.240
  222   2HD1  ILE  27          HD12      ILE  27   6.979  20.555  15.248
  223   3HD1  ILE  27          HD13      ILE  27   5.621  19.791  16.032
  224    H    HIS  28           HN       HIS  28   7.858  16.115  19.220
  225    HA   HIS  28           HA       HIS  28  10.164  16.010  17.592
  226   1HB   HIS  28          HB2       HIS  28   9.308  14.199  19.855
  227   2HB   HIS  28          HB1       HIS  28  10.928  14.267  19.168
  228    HD1  HIS  28           HD1      HIS  28   8.515  16.189  21.298
  229    HD2  HIS  28           HD2      HIS  28  12.407  16.612  19.864
  230    HE1  HIS  28           HE1      HIS  28   9.547  18.114  22.581
  231    HE2  HIS  28           HE2      HIS  28  11.919  18.385  21.718
  232    H    ALA  29           HN       ALA  29   7.287  14.780  16.830
  233    HA   ALA  29           HA       ALA  29   7.944  12.100  16.017
  234   1HB   ALA  29          HB1       ALA  29   5.656  13.922  15.242
  235   2HB   ALA  29          HB2       ALA  29   5.637  12.703  16.514
  236   3HB   ALA  29          HB3       ALA  29   5.775  12.212  14.825
  237    H    MET  30           HN       MET  30   7.687  15.249  14.389
  238    HA   MET  30           HA       MET  30   8.168  14.304  11.779
  239   1HB   MET  30          HB2       MET  30   8.690  16.614  11.230
  240   2HB   MET  30          HB1       MET  30   7.294  16.562  12.303
  241   1HG   MET  30          HG2       MET  30   8.545  18.227  13.367
  242   2HG   MET  30          HG1       MET  30   9.175  16.821  14.196
  243   1HE   MET  30          HE1       MET  30  10.269  19.858  13.577
  244   2HE   MET  30          HE2       MET  30  12.003  19.579  13.489
  245   3HE   MET  30          HE3       MET  30  11.057  18.809  14.756
  246    H    ASN  31           HN       ASN  31  10.374  15.496  14.318
  247    HA   ASN  31           HA       ASN  31  12.740  15.523  12.861
  248   1HB   ASN  31          HB2       ASN  31  12.262  14.724  15.743
  249   2HB   ASN  31          HB1       ASN  31  13.867  14.981  15.059
  250   1HD2  ASN  31          HD21      ASN  31  13.714  17.245  13.595
  251   2HD2  ASN  31          HD22      ASN  31  13.144  18.551  14.517
  252    H    SER  32           HN       SER  32  11.473  12.774  14.778
  253    HA   SER  32           HA       SER  32  13.451  10.939  13.943
  254   1HB   SER  32          HB2       SER  32  10.601  10.482  14.817
  255   2HB   SER  32          HB1       SER  32  11.804   9.206  14.657
  256    HG   SER  32           HG       SER  32  11.397  10.512  16.777
  257    H    TYR  33           HN       TYR  33  10.078  11.284  12.785
  258    HA   TYR  33           HA       TYR  33  10.222   9.435  10.695
  259   1HB   TYR  33          HB2       TYR  33   8.106  10.397  11.504
  260   2HB   TYR  33          HB1       TYR  33   8.569  11.974  10.864
  261    HD1  TYR  33           HD2      TYR  33   8.728  12.359   8.436
  262    HD2  TYR  33           HD1      TYR  33   7.404   8.594  10.019
  263    HE1  TYR  33           HE2      TYR  33   7.861  11.718   6.194
  264    HE2  TYR  33           HE1      TYR  33   6.525   7.957   7.786
  265    HH   TYR  33           HH       TYR  33   5.980   8.763   5.730
  266    H    TYR  34           HN       TYR  34  10.995  12.890  10.766
  267    HA   TYR  34           HA       TYR  34  11.474  13.226   8.001
  268   1HB   TYR  34          HB2       TYR  34  11.172  15.136   9.527
  269   2HB   TYR  34          HB1       TYR  34  12.670  14.722  10.356
  270    HD1  TYR  34           HD2      TYR  34  14.866  14.786   9.041
  271    HD2  TYR  34           HD1      TYR  34  11.199  16.422   7.537
  272    HE1  TYR  34           HE2      TYR  34  16.136  16.071   7.350
  273    HE2  TYR  34           HE1      TYR  34  12.465  17.700   5.828
  274    HH   TYR  34           HH       TYR  34  16.027  17.540   5.689
  275    H    ARG  35           HN       ARG  35  13.726  12.666  10.713
  276    HA   ARG  35           HA       ARG  35  16.023  12.444   9.096
  277   1HB   ARG  35          HB2       ARG  35  15.445  11.485  11.897
  278   2HB   ARG  35          HB1       ARG  35  17.028  11.349  11.131
  279   1HG   ARG  35          HG2       ARG  35  17.137  13.760  10.819
  280   2HG   ARG  35          HG1       ARG  35  15.511  13.951  11.472
  281   1HD   ARG  35          HD2       ARG  35  17.137  14.457  13.210
  282   2HD   ARG  35          HD1       ARG  35  16.295  12.965  13.616
  283    HE   ARG  35           HE       ARG  35  18.640  12.337  12.164
  284   1HH1  ARG  35          HH21      ARG  35  17.560  13.593  15.201
  285   2HH1  ARG  35          HH22      ARG  35  18.931  13.018  16.086
  286   1HH2  ARG  35          HH11      ARG  35  20.442  11.572  13.318
  287   2HH2  ARG  35          HH12      ARG  35  20.564  11.869  15.020
  288    H    SER  36           HN       SER  36  13.508  10.228   9.989
  289    HA   SER  36           HA       SER  36  14.966   7.827   9.381
  290   1HB   SER  36          HB2       SER  36  12.869   6.686   9.551
  291   2HB   SER  36          HB1       SER  36  12.883   7.924  10.800
  292    HG   SER  36           HG       SER  36  11.962   8.996   8.552
  293    H    VAL  37           HN       VAL  37  12.662   9.846   7.576
  294    HA   VAL  37           HA       VAL  37  12.627   8.176   5.260
  295    HB   VAL  37           HB       VAL  37  11.932  11.079   5.773
  296   1HG1  VAL  37          HG11      VAL  37  12.102   9.643   3.113
  297   2HG1  VAL  37          HG12      VAL  37  12.569  11.295   3.519
  298   3HG1  VAL  37          HG13      VAL  37  10.877  10.879   3.354
  299   1HG2  VAL  37          HG21      VAL  37   9.649  10.287   5.324
  300   2HG2  VAL  37          HG22      VAL  37  10.396   9.330   6.603
  301   3HG2  VAL  37          HG23      VAL  37  10.258   8.671   4.971
  302    H    VAL  38           HN       VAL  38  14.167  11.388   5.649
  303    HA   VAL  38           HA       VAL  38  15.666  11.407   3.333
  304    HB   VAL  38           HB       VAL  38  17.174  12.976   4.450
  305   1HG1  VAL  38          HG11      VAL  38  14.881  13.718   3.831
  306   2HG1  VAL  38          HG12      VAL  38  15.499  14.583   5.236
  307   3HG1  VAL  38          HG13      VAL  38  14.321  13.290   5.446
  308   1HG2  VAL  38          HG21      VAL  38  17.679  11.995   6.551
  309   2HG2  VAL  38          HG22      VAL  38  15.984  11.722   6.931
  310   3HG2  VAL  38          HG23      VAL  38  16.648  13.355   6.996
  311    H    SER  39           HN       SER  39  16.604  10.031   6.488
  312    HA   SER  39           HA       SER  39  19.179   9.192   5.773
  313   1HB   SER  39          HB2       SER  39  18.935   7.535   7.607
  314   2HB   SER  39          HB1       SER  39  18.446   9.152   8.086
  315    HG   SER  39           HG       SER  39  16.828   6.932   7.382
  316    H    THR  40           HN       THR  40  16.049   7.526   5.484
  317    HA   THR  40           HA       THR  40  17.103   5.098   4.477
  318    HB   THR  40           HB       THR  40  14.360   6.324   4.084
  319    HG1  THR  40           HG1      THR  40  13.942   4.708   5.783
  320   1HG2  THR  40          HG21      THR  40  13.732   3.879   3.762
  321   2HG2  THR  40          HG22      THR  40  15.457   3.535   3.611
  322   3HG2  THR  40          HG23      THR  40  14.660   4.590   2.443
  323    H    LEU  41           HN       LEU  41  15.756   7.961   2.861
  324    HA   LEU  41           HA       LEU  41  16.028   6.990   0.219
  325   1HB   LEU  41          HB2       LEU  41  15.963   9.796   1.339
  326   2HB   LEU  41          HB1       LEU  41  15.901   9.445  -0.386
  327    HG   LEU  41           HG       LEU  41  13.928   8.322   1.635
  328   1HD1  LEU  41          HD11      LEU  41  13.765  10.753   1.580
  329   2HD1  LEU  41          HD12      LEU  41  12.362  10.048   0.782
  330   3HD1  LEU  41          HD13      LEU  41  13.667  10.741  -0.172
  331   1HD2  LEU  41          HD21      LEU  41  14.128   8.232  -1.391
  332   2HD2  LEU  41          HD22      LEU  41  12.549   8.150  -0.616
  333   3HD2  LEU  41          HD23      LEU  41  13.759   6.930  -0.264
  334    H    VAL  42           HN       VAL  42  18.167   8.934   2.256
  335    HA   VAL  42           HA       VAL  42  20.244   9.004   0.223
  336    HB   VAL  42           HB       VAL  42  20.313  10.033   3.080
  337   1HG1  VAL  42          HG11      VAL  42  22.073  11.606   1.762
  338   2HG1  VAL  42          HG12      VAL  42  22.214  10.192   0.726
  339   3HG1  VAL  42          HG13      VAL  42  22.576  10.068   2.442
  340   1HG2  VAL  42          HG21      VAL  42  19.708  12.194   2.140
  341   2HG2  VAL  42          HG22      VAL  42  18.496  11.024   1.630
  342   3HG2  VAL  42          HG23      VAL  42  19.744  11.542   0.504
  343    H    GLN  43           HN       GLN  43  19.400   6.406   1.293
  344    HA   GLN  43           HA       GLN  43  22.018   5.333   1.844
  345   1HB   GLN  43          HB2       GLN  43  21.134   6.164   4.096
  346   2HB   GLN  43          HB1       GLN  43  19.911   4.900   3.974
  347   1HG   GLN  43          HG2       GLN  43  21.736   4.023   5.280
  348   2HG   GLN  43          HG1       GLN  43  21.806   3.231   3.717
  349   1HE2  GLN  43          HE21      GLN  43  24.053   2.947   3.388
  350   2HE2  GLN  43          HE22      GLN  43  25.183   4.213   3.454
  351    H    ASP  44           HN       ASP  44  18.769   5.069   0.920
  352    HA   ASP  44           HA       ASP  44  19.032   2.138   0.444
  353   1HB   ASP  44          HB2       ASP  44  17.159   2.943   1.957
  354   2HB   ASP  44          HB1       ASP  44  16.463   3.741   0.549
  355    H    GLN  45           HN       GLN  45  18.202   5.265  -0.948
  356    HA   GLN  45           HA       GLN  45  17.771   4.036  -3.594
  357   1HB   GLN  45          HB2       GLN  45  16.214   5.818  -2.633
  358   2HB   GLN  45          HB1       GLN  45  17.524   6.969  -2.841
  359   1HG   GLN  45          HG2       GLN  45  16.204   7.134  -4.833
  360   2HG   GLN  45          HG1       GLN  45  17.630   6.208  -5.285
  361   1HE2  GLN  45          HE21      GLN  45  16.836   4.713  -6.819
  362   2HE2  GLN  45          HE22      GLN  45  15.527   3.672  -6.532
  363    H    LEU  46           HN       LEU  46  19.298   7.146  -2.801
  364    HA   LEU  46           HA       LEU  46  21.200   8.131  -3.621
  365   1HB   LEU  46          HB2       LEU  46  22.125   5.302  -3.136
  366   2HB   LEU  46          HB1       LEU  46  23.241   6.585  -3.586
  367    HG   LEU  46           HG       LEU  46  21.370   6.825  -1.207
  368   1HD1  LEU  46          HD11      LEU  46  23.438   6.216   0.161
  369   2HD1  LEU  46          HD12      LEU  46  24.175   5.662  -1.342
  370   3HD1  LEU  46          HD13      LEU  46  22.713   4.883  -0.735
  371   1HD2  LEU  46          HD21      LEU  46  22.245   8.980  -1.749
  372   2HD2  LEU  46          HD22      LEU  46  23.836   8.339  -2.143
  373   3HD2  LEU  46          HD23      LEU  46  23.301   8.408  -0.470
  374    H    THR  47           HN       THR  47  19.384   7.461  -5.595
  375    HA   THR  47           HA       THR  47  20.842   6.177  -7.779
  376    HB   THR  47           HB       THR  47  18.436   5.735  -7.475
  377    HG1  THR  47           HG1      THR  47  18.050   6.904  -9.753
  378   1HG2  THR  47          HG21      THR  47  17.952   8.104  -6.617
  379   2HG2  THR  47          HG22      THR  47  16.789   7.451  -7.770
  380   3HG2  THR  47          HG23      THR  47  18.008   8.603  -8.299
  381    H    LYS  48           HN       LYS  48  20.058   9.343  -6.613
  382    HA   LYS  48           HA       LYS  48  21.915  10.610  -8.332
  383   1HB   LYS  48          HB2       LYS  48  19.952  10.156  -9.921
  384   2HB   LYS  48          HB1       LYS  48  19.044  11.286  -8.955
  385   1HG   LYS  48          HG2       LYS  48  19.865  12.733 -10.580
  386   2HG   LYS  48          HG1       LYS  48  21.120  12.893  -9.359
  387   1HD   LYS  48          HD2       LYS  48  22.406  11.070 -10.567
  388   2HD   LYS  48          HD1       LYS  48  21.183  11.138 -11.830
  389   1HE   LYS  48          HE2       LYS  48  22.843  13.499 -10.912
  390   2HE   LYS  48          HE1       LYS  48  23.170  12.536 -12.356
  391   1HZ   LYS  48          HZ1       LYS  48  20.545  13.143 -12.594
  392   2HZ   LYS  48          HZ2       LYS  48  21.815  13.955 -13.378
  393   3HZ   LYS  48          HZ3       LYS  48  21.183  14.564 -11.922
  394    H    ASN  49           HN       ASN  49  22.533  12.510  -7.451
  395    HA   ASN  49           HA       ASN  49  21.684  13.318  -4.928
  396   1HB   ASN  49          HB2       ASN  49  23.000  14.948  -7.096
  397   2HB   ASN  49          HB1       ASN  49  22.823  15.471  -5.420
  398   1HD2  ASN  49          HD21      ASN  49  25.357  14.846  -6.921
  399   2HD2  ASN  49          HD22      ASN  49  26.121  13.633  -6.012
  400    H    ALA  50           HN       ALA  50  20.661  14.468  -8.135
  401    HA   ALA  50           HA       ALA  50  18.993  16.574  -7.197
  402   1HB   ALA  50          HB1       ALA  50  18.744  14.955  -9.744
  403   2HB   ALA  50          HB2       ALA  50  19.712  16.417  -9.545
  404   3HB   ALA  50          HB3       ALA  50  17.954  16.500  -9.425
  405    H    VAL  51           HN       VAL  51  18.279  13.191  -8.036
  406    HA   VAL  51           HA       VAL  51  15.492  13.237  -7.670
  407    HB   VAL  51           HB       VAL  51  17.538  11.052  -7.258
  408   1HG1  VAL  51          HG11      VAL  51  15.839  10.311  -5.780
  409   2HG1  VAL  51          HG12      VAL  51  15.494   9.471  -7.288
  410   3HG1  VAL  51          HG13      VAL  51  14.548  10.892  -6.833
  411   1HG2  VAL  51          HG21      VAL  51  15.324  11.226  -9.329
  412   2HG2  VAL  51          HG22      VAL  51  16.796  10.266  -9.396
  413   3HG2  VAL  51          HG23      VAL  51  16.881  12.011  -9.585
  414    H    VAL  52           HN       VAL  52  18.063  12.709  -5.266
  415    HA   VAL  52           HA       VAL  52  16.170  12.398  -3.110
  416    HB   VAL  52           HB       VAL  52  18.173  12.487  -1.647
  417   1HG1  VAL  52          HG11      VAL  52  17.516  10.341  -2.611
  418   2HG1  VAL  52          HG12      VAL  52  19.276  10.457  -2.636
  419   3HG1  VAL  52          HG13      VAL  52  18.355  10.730  -4.114
  420   1HG2  VAL  52          HG21      VAL  52  19.518  14.077  -2.958
  421   2HG2  VAL  52          HG22      VAL  52  19.572  12.904  -4.256
  422   3HG2  VAL  52          HG23      VAL  52  20.396  12.560  -2.759
  423    H    LEU  53           HN       LEU  53  18.114  15.020  -4.433
  424    HA   LEU  53           HA       LEU  53  17.784  16.831  -2.319
  425   1HB   LEU  53          HB2       LEU  53  19.205  16.972  -4.595
  426   2HB   LEU  53          HB1       LEU  53  17.834  17.884  -5.156
  427    HG   LEU  53           HG       LEU  53  19.479  19.409  -4.267
  428   1HD1  LEU  53          HD11      LEU  53  18.107  20.636  -2.768
  429   2HD1  LEU  53          HD12      LEU  53  17.368  19.178  -2.122
  430   3HD1  LEU  53          HD13      LEU  53  16.976  19.717  -3.756
  431   1HD2  LEU  53          HD21      LEU  53  19.387  18.441  -1.436
  432   2HD2  LEU  53          HD22      LEU  53  20.742  19.046  -2.382
  433   3HD2  LEU  53          HD23      LEU  53  20.251  17.368  -2.540
  434    H    LYS  54           HN       LYS  54  15.922  16.598  -5.346
  435    HA   LYS  54           HA       LYS  54  13.997  18.537  -4.640
  436   1HB   LYS  54          HB2       LYS  54  12.697  17.593  -6.504
  437   2HB   LYS  54          HB1       LYS  54  14.379  17.851  -6.940
  438   1HG   LYS  54          HG2       LYS  54  14.344  15.664  -7.681
  439   2HG   LYS  54          HG1       LYS  54  14.500  15.258  -5.991
  440   1HD   LYS  54          HD2       LYS  54  12.657  13.958  -6.615
  441   2HD   LYS  54          HD1       LYS  54  11.869  15.385  -5.949
  442   1HE   LYS  54          HE2       LYS  54  11.693  16.323  -8.252
  443   2HE   LYS  54          HE1       LYS  54  12.413  14.841  -8.879
  444   1HZ   LYS  54          HZ1       LYS  54  10.061  14.660  -9.032
  445   2HZ   LYS  54          HZ2       LYS  54   9.855  15.100  -7.404
  446   3HZ   LYS  54          HZ3       LYS  54  10.577  13.614  -7.802
  447    H    ARG  55           HN       ARG  55  14.134  15.031  -4.206
  448    HA   ARG  55           HA       ARG  55  11.487  14.704  -3.262
  449   1HB   ARG  55          HB2       ARG  55  12.888  12.843  -4.073
  450   2HB   ARG  55          HB1       ARG  55  13.934  13.040  -2.670
  451   1HG   ARG  55          HG2       ARG  55  12.170  12.442  -1.153
  452   2HG   ARG  55          HG1       ARG  55  10.965  12.498  -2.439
  453   1HD   ARG  55          HD2       ARG  55  13.317  10.584  -2.471
  454   2HD   ARG  55          HD1       ARG  55  11.741  10.166  -1.797
  455    HE   ARG  55           HE       ARG  55  11.191  11.099  -4.327
  456   1HH1  ARG  55          HH21      ARG  55  13.232   8.675  -2.940
  457   2HH1  ARG  55          HH22      ARG  55  13.142   7.618  -4.308
  458   1HH2  ARG  55          HH11      ARG  55  11.065   9.719  -6.125
  459   2HH2  ARG  55          HH12      ARG  55  11.915   8.210  -6.113
  460    H    ILE  56           HN       ILE  56  14.565  15.313  -1.614
  461    HA   ILE  56           HA       ILE  56  13.552  15.139   1.032
  462    HB   ILE  56           HB       ILE  56  15.948  16.561  -0.148
  463   1HG1  ILE  56          HG12      ILE  56  15.904  14.115   1.651
  464   2HG1  ILE  56          HG11      ILE  56  15.769  13.968  -0.086
  465   1HG2  ILE  56          HG21      ILE  56  15.067  16.309   2.747
  466   2HG2  ILE  56          HG22      ILE  56  15.531  17.770   1.872
  467   3HG2  ILE  56          HG23      ILE  56  16.755  16.583   2.305
  468   1HD1  ILE  56          HD11      ILE  56  17.883  15.164  -0.379
  469   2HD1  ILE  56          HD12      ILE  56  18.112  13.752   0.654
  470   3HD1  ILE  56          HD13      ILE  56  18.016  15.363   1.367
  471    H    GLN  57           HN       GLN  57  14.052  17.906  -1.159
  472    HA   GLN  57           HA       GLN  57  13.305  19.966   0.555
  473   1HB   GLN  57          HB2       GLN  57  13.033  19.624  -2.440
  474   2HB   GLN  57          HB1       GLN  57  12.566  21.122  -1.637
  475   1HG   GLN  57          HG2       GLN  57  15.302  19.868  -1.306
  476   2HG   GLN  57          HG1       GLN  57  14.948  21.068  -2.543
  477   1HE2  GLN  57          HE21      GLN  57  16.360  20.887   0.402
  478   2HE2  GLN  57          HE22      GLN  57  15.928  22.398   1.042
  479    H    HIS  58           HN       HIS  58  11.334  17.742  -1.323
  480    HA   HIS  58           HA       HIS  58   8.865  19.059  -0.881
  481   1HB   HIS  58          HB2       HIS  58   8.244  17.476  -2.420
  482   2HB   HIS  58          HB1       HIS  58   9.785  16.655  -2.215
  483    HD1  HIS  58           HD1      HIS  58   6.489  16.889  -0.294
  484    HD2  HIS  58           HD2      HIS  58   9.426  14.084  -1.223
  485    HE1  HIS  58           HE1      HIS  58   5.746  14.702   0.750
  486    HE2  HIS  58           HE2      HIS  58   7.523  12.980   0.181
  487    H    LEU  59           HN       LEU  59  10.742  16.707   0.922
  488    HA   LEU  59           HA       LEU  59   8.706  15.904   2.685
  489   1HB   LEU  59          HB2       LEU  59  11.160  14.978   2.259
  490   2HB   LEU  59          HB1       LEU  59  11.580  16.030   3.600
  491    HG   LEU  59           HG       LEU  59  11.111  13.811   4.469
  492   1HD1  LEU  59          HD11      LEU  59  10.178  15.955   5.624
  493   2HD1  LEU  59          HD12      LEU  59   9.682  14.379   6.209
  494   3HD1  LEU  59          HD13      LEU  59   8.615  15.309   5.173
  495   1HD2  LEU  59          HD21      LEU  59   9.348  12.480   3.898
  496   2HD2  LEU  59          HD22      LEU  59   9.375  13.409   2.411
  497   3HD2  LEU  59          HD23      LEU  59   8.214  13.802   3.684
  498    H    ASP  60           HN       ASP  60  11.011  18.566   2.829
  499    HA   ASP  60           HA       ASP  60  10.641  19.438   5.424
  500   1HB   ASP  60          HB2       ASP  60  10.962  21.061   2.888
  501   2HB   ASP  60          HB1       ASP  60  11.117  21.725   4.513
  502    H    GLU  61           HN       GLU  61   8.447  19.660   2.700
  503    HA   GLU  61           HA       GLU  61   6.687  21.624   3.679
  504   1HB   GLU  61          HB2       GLU  61   5.340  21.062   1.860
  505   2HB   GLU  61          HB1       GLU  61   6.852  20.322   1.341
  506   1HG   GLU  61          HG2       GLU  61   5.978  18.156   2.475
  507   2HG   GLU  61          HG1       GLU  61   4.422  18.964   2.559
  508    H    ALA  62           HN       ALA  62   6.976  18.184   4.353
  509    HA   ALA  62           HA       ALA  62   4.483  17.975   5.732
  510   1HB   ALA  62          HB1       ALA  62   6.034  16.117   4.620
  511   2HB   ALA  62          HB2       ALA  62   5.009  15.716   5.994
  512   3HB   ALA  62          HB3       ALA  62   6.713  16.037   6.241
  513    H    TYR  63           HN       TYR  63   7.866  18.176   6.775
  514    HA   TYR  63           HA       TYR  63   7.461  18.033   9.492
  515   1HB   TYR  63          HB2       TYR  63   9.741  18.141   9.301
  516   2HB   TYR  63          HB1       TYR  63   9.611  18.847   7.694
  517    HD1  TYR  63           HD2      TYR  63   9.480  19.656  11.326
  518    HD2  TYR  63           HD1      TYR  63  10.053  21.191   7.365
  519    HE1  TYR  63           HE2      TYR  63  10.155  21.844  12.276
  520    HE2  TYR  63           HE1      TYR  63  10.714  23.384   8.309
  521    HH   TYR  63           HH       TYR  63  10.018  24.468  11.053
  522    H    ASN  64           HN       ASN  64   7.149  20.774   7.292
  523    HA   ASN  64           HA       ASN  64   6.818  22.787   9.277
  524   1HB   ASN  64          HB2       ASN  64   7.529  23.295   6.978
  525   2HB   ASN  64          HB1       ASN  64   5.957  22.768   6.377
  526   1HD2  ASN  64          HD21      ASN  64   4.798  24.637   5.838
  527   2HD2  ASN  64          HD22      ASN  64   4.698  26.023   6.812
  528    H    LYS  65           HN       LYS  65   4.630  20.690   7.510
  529    HA   LYS  65           HA       LYS  65   2.213  21.943   8.197
  530   1HB   LYS  65          HB2       LYS  65   2.924  19.089   7.518
  531   2HB   LYS  65          HB1       LYS  65   1.271  19.551   7.862
  532   1HG   LYS  65          HG2       LYS  65   2.818  21.171   5.827
  533   2HG   LYS  65          HG1       LYS  65   2.215  19.594   5.352
  534   1HD   LYS  65          HD2       LYS  65  -0.061  20.245   5.990
  535   2HD   LYS  65          HD1       LYS  65   0.525  21.819   6.520
  536   1HE   LYS  65          HE2       LYS  65   1.301  22.309   4.239
  537   2HE   LYS  65          HE1       LYS  65   0.726  20.727   3.703
  538   1HZ   LYS  65          HZ1       LYS  65  -0.791  22.777   3.432
  539   2HZ   LYS  65          HZ2       LYS  65  -1.098  22.569   5.091
  540   3HZ   LYS  65          HZ3       LYS  65  -1.461  21.322   3.995
  541    H    VAL  66           HN       VAL  66   4.181  19.546   9.913
  542    HA   VAL  66           HA       VAL  66   2.320  19.000  11.954
  543    HB   VAL  66           HB       VAL  66   5.357  18.812  12.011
  544   1HG1  VAL  66          HG11      VAL  66   3.213  17.731  13.855
  545   2HG1  VAL  66          HG12      VAL  66   4.540  18.805  14.262
  546   3HG1  VAL  66          HG13      VAL  66   4.873  17.135  13.836
  547   1HG2  VAL  66          HG21      VAL  66   3.155  16.834  11.329
  548   2HG2  VAL  66          HG22      VAL  66   4.834  16.378  11.619
  549   3HG2  VAL  66          HG23      VAL  66   4.428  17.425  10.256
  550    H    LYS  67           HN       LYS  67   4.998  21.288  11.758
  551    HA   LYS  67           HA       LYS  67   4.820  22.398  14.311
  552   1HB   LYS  67          HB2       LYS  67   5.710  23.649  11.752
  553   2HB   LYS  67          HB1       LYS  67   6.075  24.217  13.370
  554   1HG   LYS  67          HG2       LYS  67   6.708  21.328  12.995
  555   2HG   LYS  67          HG1       LYS  67   7.608  22.365  11.939
  556   1HD   LYS  67          HD2       LYS  67   7.426  22.795  14.940
  557   2HD   LYS  67          HD1       LYS  67   8.694  21.812  14.192
  558   1HE   LYS  67          HE2       LYS  67   9.173  23.974  12.750
  559   2HE   LYS  67          HE1       LYS  67   8.265  24.814  14.004
  560   1HZ   LYS  67          HZ1       LYS  67   9.891  24.532  15.501
  561   2HZ   LYS  67          HZ2       LYS  67  10.882  24.315  14.139
  562   3HZ   LYS  67          HZ3       LYS  67  10.276  22.966  14.974
  563    H    ARG  68           HN       ARG  68   3.312  23.290  11.264
  564    HA   ARG  68           HA       ARG  68   2.057  25.646  12.199
  565   1HB   ARG  68          HB2       ARG  68   2.507  24.989   9.774
  566   2HB   ARG  68          HB1       ARG  68   1.128  23.899   9.895
  567   1HG   ARG  68          HG2       ARG  68  -0.338  25.768  10.456
  568   2HG   ARG  68          HG1       ARG  68   1.028  26.877  10.452
  569   1HD   ARG  68          HD2       ARG  68   1.403  26.403   8.065
  570   2HD   ARG  68          HD1       ARG  68   0.040  25.288   8.075
  571    HE   ARG  68           HE       ARG  68  -1.424  27.107   8.086
  572   1HH1  ARG  68          HH21      ARG  68   1.826  28.095   8.744
  573   2HH1  ARG  68          HH22      ARG  68   1.484  29.788   8.604
  574   1HH2  ARG  68          HH11      ARG  68  -1.877  29.322   7.894
  575   2HH2  ARG  68          HH12      ARG  68  -0.611  30.482   8.123
  576    H    GLY  69           HN       GLY  69   1.448  22.358  12.751
  577   1HA   GLY  69          HA2       GLY  69  -1.429  22.676  13.248
  578   2HA   GLY  69          HA1       GLY  69  -0.492  21.188  13.334
  579    H    GLU  70           HN       GLU  70   1.326  21.324  15.076
  580    HA   GLU  70           HA       GLU  70   0.178  21.287  17.579
  581   1HB   GLU  70          HB2       GLU  70   2.569  21.508  18.419
  582   2HB   GLU  70          HB1       GLU  70   2.282  20.219  17.260
  583   1HG   GLU  70          HG2       GLU  70   3.693  21.101  15.768
  584   2HG   GLU  70          HG1       GLU  70   2.972  22.685  15.884
  585    H    SER  71           HN       SER  71   2.820  23.502  17.583
  586    HA   SER  71           HA       SER  71   1.439  25.419  19.148
  587   1HB   SER  71          HB2       SER  71   3.855  25.167  19.272
  588   2HB   SER  71          HB1       SER  71   4.014  25.643  17.585
  589    HG   SER  71           HG       SER  71   2.561  27.382  19.140
  590    H    LYS  72           HN       LYS  72  -0.414  26.038  18.043
  591    HA   LYS  72           HA       LYS  72  -0.534  26.941  15.388
  592   1HB   LYS  72          HB2       LYS  72  -2.215  27.616  17.811
  593   2HB   LYS  72          HB1       LYS  72  -2.637  28.107  16.172
  594   1HG   LYS  72          HG2       LYS  72  -2.032  25.187  16.715
  595   2HG   LYS  72          HG1       LYS  72  -3.600  25.824  17.193
  596   1HD   LYS  72          HD2       LYS  72  -2.620  26.381  14.378
  597   2HD   LYS  72          HD1       LYS  72  -3.256  24.783  14.756
  598   1HE   LYS  72          HE2       LYS  72  -5.375  25.702  15.441
  599   2HE   LYS  72          HE1       LYS  72  -4.756  27.350  15.349
  600   1HZ   LYS  72          HZ1       LYS  72  -5.108  27.417  13.172
  601   2HZ   LYS  72          HZ2       LYS  72  -6.018  25.994  13.353
  602   3HZ   LYS  72          HZ3       LYS  72  -4.379  25.907  12.912
  603    H    LEU  73           HN       LEU  73   0.160  28.621  18.415
  604    HA   LEU  73           HA       LEU  73   1.264  30.868  16.889
  605   1HB   LEU  73          HB2       LEU  73  -1.149  31.347  17.583
  606   2HB   LEU  73          HB1       LEU  73  -0.571  31.302  19.244
  607    HG   LEU  73           HG       LEU  73   1.246  33.051  18.344
  608   1HD1  LEU  73          HD11      LEU  73   0.333  34.532  16.604
  609   2HD1  LEU  73          HD12      LEU  73  -1.050  33.463  16.398
  610   3HD1  LEU  73          HD13      LEU  73   0.564  32.908  15.965
  611   1HD2  LEU  73          HD21      LEU  73  -1.653  33.773  18.872
  612   2HD2  LEU  73          HD22      LEU  73  -0.307  34.913  18.913
  613   3HD2  LEU  73          HD23      LEU  73  -0.378  33.592  20.078
  614    H    GLU  74           HN       GLU  74   0.704  29.645  20.168
  615    HA   GLU  74           HA       GLU  74   2.914  30.931  21.353
  616   1HB   GLU  74          HB2       GLU  74   2.623  29.091  23.112
  617   2HB   GLU  74          HB1       GLU  74   1.209  30.091  22.784
  618   1HG   GLU  74          HG2       GLU  74   0.207  28.397  21.410
  619   2HG   GLU  74          HG1       GLU  74   1.679  27.434  21.401
  620    H    HIS  75           HN       HIS  75   4.325  30.448  19.392
  621    HA   HIS  75           HA       HIS  75   5.740  27.854  19.639
  622   1HB   HIS  75          HB2       HIS  75   4.858  28.424  17.398
  623   2HB   HIS  75          HB1       HIS  75   5.810  29.910  17.414
  624    HD1  HIS  75           HD1      HIS  75   6.341  26.144  17.698
  625    HD2  HIS  75           HD2      HIS  75   8.423  29.569  16.545
  626    HE1  HIS  75           HE1      HIS  75   8.570  25.356  16.788
  627    HE2  HIS  75           HE2      HIS  75   9.850  27.432  16.081
  628    H    HIS  76           HN       HIS  76   6.423  29.239  21.715
  629    HA   HIS  76           HA       HIS  76   8.143  30.264  22.838
  630   1HB   HIS  76          HB2       HIS  76   9.739  29.423  20.407
  631   2HB   HIS  76          HB1       HIS  76  10.382  29.815  22.001
  632    HD1  HIS  76           HD1      HIS  76   9.418  28.218  24.013
  633    HD2  HIS  76           HD2      HIS  76   9.046  26.757  20.126
  634    HE1  HIS  76           HE1      HIS  76   9.009  25.727  24.219
  635    HE2  HIS  76           HE2      HIS  76   8.782  24.822  21.859
  636    H    HIS  77           HN       HIS  77   7.066  32.335  22.495
  637    HA   HIS  77           HA       HIS  77   7.902  34.052  20.324
  638   1HB   HIS  77          HB2       HIS  77   6.386  34.642  22.886
  639   2HB   HIS  77          HB1       HIS  77   6.619  35.787  21.569
  640    HD1  HIS  77           HD1      HIS  77   5.828  34.688  19.102
  641    HD2  HIS  77           HD2      HIS  77   4.034  33.242  22.576
  642    HE1  HIS  77           HE1      HIS  77   3.672  33.572  18.383
  643    HE2  HIS  77           HE2      HIS  77   2.566  32.686  20.490
  644    H    HIS  78           HN       HIS  78   8.243  36.470  21.742
  645    HA   HIS  78           HA       HIS  78   9.955  37.776  22.543
  646   1HB   HIS  78          HB2       HIS  78  10.390  35.381  24.349
  647   2HB   HIS  78          HB1       HIS  78  11.020  37.004  24.617
  648    HD1  HIS  78           HD1      HIS  78   7.822  35.024  24.647
  649    HD2  HIS  78           HD2      HIS  78   9.104  38.895  25.514
  650    HE1  HIS  78           HE1      HIS  78   5.898  36.167  25.833
  651    HE2  HIS  78           HE2      HIS  78   6.664  38.528  26.369
  652    H    HIS  79           HN       HIS  79  12.414  37.754  23.032
  653    HA   HIS  79           HA       HIS  79  13.726  36.654  20.721
  654   1HB   HIS  79          HB2       HIS  79  14.909  38.008  23.158
  655   2HB   HIS  79          HB1       HIS  79  15.725  37.731  21.619
  656    HD1  HIS  79           HD1      HIS  79  14.471  38.897  19.471
  657    HD2  HIS  79           HD2      HIS  79  13.493  40.384  23.241
  658    HE1  HIS  79           HE1      HIS  79  13.396  41.159  19.093
  659    HE2  HIS  79           HE2      HIS  79  12.795  42.078  21.382
  660    H    HIS  80           HN       HIS  80  15.429  35.140  20.689
  661    HA   HIS  80           HA       HIS  80  15.062  32.797  22.134
  662   1HB   HIS  80          HB2       HIS  80  17.632  33.786  20.876
  663   2HB   HIS  80          HB1       HIS  80  17.263  32.115  21.299
  664    HD1  HIS  80           HD1      HIS  80  14.600  31.543  20.221
  665    HD2  HIS  80           HD2      HIS  80  17.205  34.073  18.173
  666    HE1  HIS  80           HE1      HIS  80  13.819  31.577  17.812
  667    HE2  HIS  80           HE2      HIS  80  15.398  33.116  16.550
  668   1H    MET   1          HT1       MET   1  47.140  28.107  15.252
  669   2H    MET   1          HT2       MET   1  45.869  28.368  16.347
  670   3H    MET   1          HT3       MET   1  45.552  28.268  14.682
  671    HA   MET   1           HA       MET   1  46.696  25.920  14.997
  672   1HB   MET   1          HB2       MET   1  45.367  26.592  17.643
  673   2HB   MET   1          HB1       MET   1  45.892  24.982  17.161
  674   1HG   MET   1          HG2       MET   1  47.741  27.381  17.325
  675   2HG   MET   1          HG1       MET   1  47.550  26.205  18.621
  676   1HE   MET   1          HE1       MET   1  48.848  24.174  18.873
  677   2HE   MET   1          HE2       MET   1  49.272  23.083  17.558
  678   3HE   MET   1          HE3       MET   1  47.583  23.467  17.861
  679    H    SER   2           HN       SER   2  43.695  27.094  16.548
  680    HA   SER   2           HA       SER   2  42.040  25.184  15.242
  681   1HB   SER   2          HB2       SER   2  41.376  26.202  17.357
  682   2HB   SER   2          HB1       SER   2  41.334  27.794  16.607
  683    HG   SER   2           HG       SER   2  39.866  25.723  15.437
  684    H    GLU   3           HN       GLU   3  40.589  25.442  13.537
  685    HA   GLU   3           HA       GLU   3  40.341  27.887  12.040
  686   1HB   GLU   3          HB2       GLU   3  41.419  27.042   9.979
  687   2HB   GLU   3          HB1       GLU   3  42.582  27.236  11.290
  688   1HG   GLU   3          HG2       GLU   3  42.319  24.801  11.816
  689   2HG   GLU   3          HG1       GLU   3  41.286  24.652  10.398
  690    H    LEU   4           HN       LEU   4  38.691  27.844  10.613
  691    HA   LEU   4           HA       LEU   4  36.670  25.970  11.024
  692   1HB   LEU   4          HB2       LEU   4  36.156  28.189  10.175
  693   2HB   LEU   4          HB1       LEU   4  37.116  27.896   8.729
  694    HG   LEU   4           HG       LEU   4  35.572  26.127   8.036
  695   1HD1  LEU   4          HD11      LEU   4  33.336  25.995   9.338
  696   2HD1  LEU   4          HD12      LEU   4  34.227  26.721  10.674
  697   3HD1  LEU   4          HD13      LEU   4  34.724  25.160  10.020
  698   1HD2  LEU   4          HD21      LEU   4  34.191  28.715   8.755
  699   2HD2  LEU   4          HD22      LEU   4  33.583  27.536   7.592
  700   3HD2  LEU   4          HD23      LEU   4  35.098  28.382   7.278
  701    H    PHE   5           HN       PHE   5  39.350  26.022   8.792
  702    HA   PHE   5           HA       PHE   5  38.477  24.263   6.833
  703   1HB   PHE   5          HB2       PHE   5  40.643  25.501   6.798
  704   2HB   PHE   5          HB1       PHE   5  41.265  24.382   8.010
  705    HD1  PHE   5           HD1      PHE   5  40.065  24.701   4.521
  706    HD2  PHE   5           HD2      PHE   5  41.861  22.097   7.427
  707    HE1  PHE   5           HE1      PHE   5  40.641  23.092   2.724
  708    HE2  PHE   5           HE2      PHE   5  42.436  20.488   5.628
  709    HZ   PHE   5           HZ       PHE   5  41.826  20.986   3.277
  710    H    SER   6           HN       SER   6  39.856  23.585  10.019
  711    HA   SER   6           HA       SER   6  39.941  20.757   9.685
  712   1HB   SER   6          HB2       SER   6  39.698  22.147  12.366
  713   2HB   SER   6          HB1       SER   6  40.615  20.703  11.956
  714    HG   SER   6           HG       SER   6  41.402  22.756  10.429
  715    H    VAL   7           HN       VAL   7  38.323  19.332   9.729
  716    HA   VAL   7           HA       VAL   7  35.616  20.122  10.077
  717    HB   VAL   7           HB       VAL   7  36.290  17.200  10.393
  718   1HG1  VAL   7          HG11      VAL   7  34.471  16.895   8.864
  719   2HG1  VAL   7          HG12      VAL   7  34.443  18.610   8.459
  720   3HG1  VAL   7          HG13      VAL   7  33.971  18.079  10.073
  721   1HG2  VAL   7          HG21      VAL   7  38.059  17.729   8.859
  722   2HG2  VAL   7          HG22      VAL   7  37.026  18.817   7.931
  723   3HG2  VAL   7          HG23      VAL   7  36.746  17.077   7.881
  724    HA   PRO   8           HA       PRO   8  36.244  17.731  14.371
  725   1HB   PRO   8          HB2       PRO   8  38.942  18.981  14.908
  726   2HB   PRO   8          HB1       PRO   8  38.321  17.394  15.417
  727   1HG   PRO   8          HG2       PRO   8  40.054  17.563  13.420
  728   2HG   PRO   8          HG1       PRO   8  38.679  16.442  13.309
  729   1HD   PRO   8          HD2       PRO   8  39.030  19.106  11.998
  730   2HD   PRO   8          HD1       PRO   8  38.311  17.646  11.337
  731    H    TYR   9           HN       TYR   9  37.155  20.938  13.356
  732    HA   TYR   9           HA       TYR   9  36.822  22.328  15.786
  733   1HB   TYR   9          HB2       TYR   9  37.890  23.382  13.865
  734   2HB   TYR   9          HB1       TYR   9  36.408  23.237  12.929
  735    HD1  TYR   9           HD2      TYR   9  37.571  24.569  16.239
  736    HD2  TYR   9           HD1      TYR   9  34.983  25.137  12.851
  737    HE1  TYR   9           HE2      TYR   9  36.794  26.724  17.188
  738    HE2  TYR   9           HE1      TYR   9  34.215  27.289  13.799
  739    HH   TYR   9           HH       TYR   9  35.537  28.519  16.880
  740    H    PHE  10           HN       PHE  10  34.533  21.448  13.229
  741    HA   PHE  10           HA       PHE  10  32.312  22.834  14.319
  742   1HB   PHE  10          HB2       PHE  10  32.834  21.053  12.072
  743   2HB   PHE  10          HB1       PHE  10  31.353  20.533  12.861
  744    HD1  PHE  10           HD2      PHE  10  32.960  23.865  12.171
  745    HD2  PHE  10           HD1      PHE  10  29.447  21.422  11.767
  746    HE1  PHE  10           HE2      PHE  10  31.768  25.750  11.087
  747    HE2  PHE  10           HE1      PHE  10  28.267  23.307  10.677
  748    HZ   PHE  10           HZ       PHE  10  29.419  25.466  10.339
  749    H    ILE  11           HN       ILE  11  33.593  19.584  14.830
  750    HA   ILE  11           HA       ILE  11  31.408  18.599  16.316
  751    HB   ILE  11           HB       ILE  11  34.309  17.809  16.569
  752   1HG1  ILE  11          HG12      ILE  11  32.127  16.841  14.681
  753   2HG1  ILE  11          HG11      ILE  11  33.557  17.754  14.222
  754   1HG2  ILE  11          HG21      ILE  11  32.703  16.966  18.340
  755   2HG2  ILE  11          HG22      ILE  11  33.426  15.705  17.370
  756   3HG2  ILE  11          HG23      ILE  11  31.772  16.211  17.050
  757   1HD1  ILE  11          HD11      ILE  11  34.054  15.471  13.743
  758   2HD1  ILE  11          HD12      ILE  11  33.435  14.941  15.305
  759   3HD1  ILE  11          HD13      ILE  11  34.942  15.858  15.219
  760    H    GLU  12           HN       GLU  12  34.407  20.215  17.292
  761    HA   GLU  12           HA       GLU  12  34.204  20.041  20.047
  762   1HB   GLU  12          HB2       GLU  12  35.220  22.290  18.296
  763   2HB   GLU  12          HB1       GLU  12  35.394  22.303  20.051
  764   1HG   GLU  12          HG2       GLU  12  36.677  20.238  19.986
  765   2HG   GLU  12          HG1       GLU  12  36.416  20.085  18.256
  766    H    ASN  13           HN       ASN  13  32.198  21.823  17.857
  767    HA   ASN  13           HA       ASN  13  31.166  23.733  19.715
  768   1HB   ASN  13          HB2       ASN  13  29.813  22.644  17.238
  769   2HB   ASN  13          HB1       ASN  13  29.477  24.166  18.051
  770   1HD2  ASN  13          HD21      ASN  13  32.640  24.184  18.471
  771   2HD2  ASN  13          HD22      ASN  13  33.182  24.859  17.010
  772    H    LEU  14           HN       LEU  14  30.184  20.499  18.695
  773    HA   LEU  14           HA       LEU  14  27.744  20.466  20.211
  774   1HB   LEU  14          HB2       LEU  14  29.367  18.228  18.962
  775   2HB   LEU  14          HB1       LEU  14  27.800  18.013  19.727
  776    HG   LEU  14           HG       LEU  14  27.182  20.066  17.969
  777   1HD1  LEU  14          HD11      LEU  14  29.103  18.334  16.406
  778   2HD1  LEU  14          HD12      LEU  14  29.556  19.909  17.059
  779   3HD1  LEU  14          HD13      LEU  14  28.265  19.784  15.875
  780   1HD2  LEU  14          HD21      LEU  14  27.212  17.165  17.102
  781   2HD2  LEU  14          HD22      LEU  14  26.113  18.431  16.581
  782   3HD2  LEU  14          HD23      LEU  14  26.028  17.831  18.227
  783    H    LYS  15           HN       LYS  15  31.059  19.430  20.776
  784    HA   LYS  15           HA       LYS  15  30.646  17.872  23.057
  785   1HB   LYS  15          HB2       LYS  15  32.796  18.073  21.796
  786   2HB   LYS  15          HB1       LYS  15  33.012  19.677  22.497
  787   1HG   LYS  15          HG2       LYS  15  33.009  18.732  24.750
  788   2HG   LYS  15          HG1       LYS  15  32.684  17.125  24.101
  789   1HD   LYS  15          HD2       LYS  15  34.820  17.196  22.866
  790   2HD   LYS  15          HD1       LYS  15  35.149  18.795  23.539
  791   1HE   LYS  15          HE2       LYS  15  35.089  17.861  25.814
  792   2HE   LYS  15          HE1       LYS  15  34.742  16.263  25.156
  793   1HZ   LYS  15          HZ1       LYS  15  36.873  15.945  24.696
  794   2HZ   LYS  15          HZ2       LYS  15  37.219  17.343  25.596
  795   3HZ   LYS  15          HZ3       LYS  15  37.014  17.442  23.912
  796    H    GLN  16           HN       GLN  16  30.775  21.350  22.616
  797    HA   GLN  16           HA       GLN  16  30.895  21.982  25.425
  798   1HB   GLN  16          HB2       GLN  16  31.682  23.497  23.568
  799   2HB   GLN  16          HB1       GLN  16  29.990  23.758  23.146
  800   1HG   GLN  16          HG2       GLN  16  29.544  24.614  25.411
  801   2HG   GLN  16          HG1       GLN  16  31.223  24.323  25.859
  802   1HE2  GLN  16          HE21      GLN  16  30.107  26.943  25.995
  803   2HE2  GLN  16          HE22      GLN  16  30.851  27.905  24.811
  804    H    HIS  17           HN       HIS  17  28.365  21.393  23.076
  805    HA   HIS  17           HA       HIS  17  26.219  22.540  24.551
  806   1HB   HIS  17          HB2       HIS  17  26.245  20.351  22.457
  807   2HB   HIS  17          HB1       HIS  17  24.789  21.109  23.079
  808    HD1  HIS  17           HD1      HIS  17  24.911  21.636  20.255
  809    HD2  HIS  17           HD2      HIS  17  27.227  23.925  22.859
  810    HE1  HIS  17           HE1      HIS  17  25.489  23.769  19.017
  811    HE2  HIS  17           HE2      HIS  17  26.902  25.173  20.589
  812    H    ILE  18           HN       ILE  18  27.333  19.161  24.231
  813    HA   ILE  18           HA       ILE  18  25.488  18.139  26.166
  814    HB   ILE  18           HB       ILE  18  26.708  16.069  25.950
  815   1HG1  ILE  18          HG12      ILE  18  28.878  17.781  24.678
  816   2HG1  ILE  18          HG11      ILE  18  29.016  16.809  26.139
  817   1HG2  ILE  18          HG21      ILE  18  26.873  17.365  23.210
  818   2HG2  ILE  18          HG22      ILE  18  25.332  17.067  23.989
  819   3HG2  ILE  18          HG23      ILE  18  26.392  15.717  23.616
  820   1HD1  ILE  18          HD11      ILE  18  30.048  15.484  24.493
  821   2HD1  ILE  18          HD12      ILE  18  28.820  15.869  23.288
  822   3HD1  ILE  18          HD13      ILE  18  28.428  14.791  24.634
  823    H    GLU  19           HN       GLU  19  28.881  19.127  26.270
  824    HA   GLU  19           HA       GLU  19  29.277  18.374  29.016
  825   1HB   GLU  19          HB2       GLU  19  31.091  18.610  27.247
  826   2HB   GLU  19          HB1       GLU  19  30.911  20.357  27.404
  827   1HG   GLU  19          HG2       GLU  19  32.712  19.730  28.862
  828   2HG   GLU  19          HG1       GLU  19  31.335  20.060  29.907
  829    H    MET  20           HN       MET  20  28.897  21.522  27.368
  830    HA   MET  20           HA       MET  20  28.521  22.866  29.951
  831   1HB   MET  20          HB2       MET  20  29.769  23.683  27.662
  832   2HB   MET  20          HB1       MET  20  28.193  24.409  27.390
  833   1HG   MET  20          HG2       MET  20  29.419  26.067  28.590
  834   2HG   MET  20          HG1       MET  20  28.390  25.312  29.803
  835   1HE   MET  20          HE1       MET  20  32.056  23.745  28.355
  836   2HE   MET  20          HE2       MET  20  32.873  25.062  29.186
  837   3HE   MET  20          HE3       MET  20  31.624  25.423  28.004
  838    H    ASN  21           HN       ASN  21  26.766  23.008  26.843
  839    HA   ASN  21           HA       ASN  21  24.530  22.889  26.366
  840   1HB   ASN  21          HB2       ASN  21  24.605  21.160  28.383
  841   2HB   ASN  21          HB1       ASN  21  23.806  22.446  29.274
  842   1HD2  ASN  21          HD21      ASN  21  21.614  22.968  28.729
  843   2HD2  ASN  21          HD22      ASN  21  20.699  22.015  27.664
  844    H    GLN  22           HN       GLN  22  25.816  25.281  26.774
  845    HA   GLN  22           HA       GLN  22  24.675  27.047  28.562
  846   1HB   GLN  22          HB2       GLN  22  25.796  27.409  25.782
  847   2HB   GLN  22          HB1       GLN  22  25.276  28.789  26.756
  848   1HG   GLN  22          HG2       GLN  22  27.315  26.742  27.668
  849   2HG   GLN  22          HG1       GLN  22  27.737  28.277  26.917
  850   1HE2  GLN  22          HE21      GLN  22  27.653  26.941  29.887
  851   2HE2  GLN  22          HE22      GLN  22  27.208  28.282  30.823
  852    H    SER  23           HN       SER  23  23.512  25.896  25.450
  853    HA   SER  23           HA       SER  23  20.800  26.662  26.072
  854   1HB   SER  23          HB2       SER  23  20.475  28.200  24.216
  855   2HB   SER  23          HB1       SER  23  21.744  28.819  25.268
  856    HG   SER  23           HG       SER  23  21.985  27.495  22.774
  857    H    GLU  24           HN       GLU  24  21.307  24.200  25.761
  858    HA   GLU  24           HA       GLU  24  20.090  23.457  23.249
  859   1HB   GLU  24          HB2       GLU  24  22.667  23.717  22.850
  860   2HB   GLU  24          HB1       GLU  24  22.812  22.222  23.762
  861   1HG   GLU  24          HG2       GLU  24  22.666  21.528  21.481
  862   2HG   GLU  24          HG1       GLU  24  21.055  21.245  22.129
  863    H    ASP  25           HN       ASP  25  21.645  20.765  23.827
  864    HA   ASP  25           HA       ASP  25  20.318  19.865  26.273
  865   1HB   ASP  25          HB2       ASP  25  19.594  18.780  23.542
  866   2HB   ASP  25          HB1       ASP  25  19.132  18.036  25.071
  867    H    LYS  26           HN       LYS  26  20.528  17.213  26.015
  868    HA   LYS  26           HA       LYS  26  23.416  16.825  26.090
  869   1HB   LYS  26          HB2       LYS  26  21.831  15.838  27.755
  870   2HB   LYS  26          HB1       LYS  26  21.222  14.772  26.498
  871   1HG   LYS  26          HG2       LYS  26  23.515  13.855  26.188
  872   2HG   LYS  26          HG1       LYS  26  24.111  14.941  27.441
  873   1HD   LYS  26          HD2       LYS  26  22.567  13.881  29.073
  874   2HD   LYS  26          HD1       LYS  26  22.005  12.780  27.815
  875   1HE   LYS  26          HE2       LYS  26  23.712  11.658  29.146
  876   2HE   LYS  26          HE1       LYS  26  24.348  11.972  27.531
  877   1HZ   LYS  26          HZ1       LYS  26  25.535  12.707  29.850
  878   2HZ   LYS  26          HZ2       LYS  26  24.763  14.140  29.366
  879   3HZ   LYS  26          HZ3       LYS  26  25.867  13.375  28.327
  880    H    ILE  27           HN       ILE  27  21.780  14.041  25.017
  881    HA   ILE  27           HA       ILE  27  23.420  13.742  22.747
  882    HB   ILE  27           HB       ILE  27  22.344  11.906  24.010
  883   1HG1  ILE  27          HG12      ILE  27  21.579  11.904  21.070
  884   2HG1  ILE  27          HG11      ILE  27  23.230  11.671  21.641
  885   1HG2  ILE  27          HG21      ILE  27  19.821  12.637  22.492
  886   2HG2  ILE  27          HG22      ILE  27  20.097  13.090  24.174
  887   3HG2  ILE  27          HG23      ILE  27  20.017  11.389  23.723
  888   1HD1  ILE  27          HD11      ILE  27  21.447   9.886  23.080
  889   2HD1  ILE  27          HD12      ILE  27  22.846   9.521  22.075
  890   3HD1  ILE  27          HD13      ILE  27  21.254   9.701  21.338
  891    H    HIS  28           HN       HIS  28  20.127  14.946  23.164
  892    HA   HIS  28           HA       HIS  28  19.391  15.065  20.459
  893   1HB   HIS  28          HB2       HIS  28  18.590  16.785  22.810
  894   2HB   HIS  28          HB1       HIS  28  17.814  16.880  21.234
  895    HD1  HIS  28           HD1      HIS  28  18.242  14.606  24.206
  896    HD2  HIS  28           HD2      HIS  28  16.108  14.699  20.626
  897    HE1  HIS  28           HE1      HIS  28  16.552  12.723  24.330
  898    HE2  HIS  28           HE2      HIS  28  15.243  12.766  22.154
  899    H    ALA  29           HN       ALA  29  21.817  16.762  22.096
  900    HA   ALA  29           HA       ALA  29  21.844  19.305  21.004
  901   1HB   ALA  29          HB1       ALA  29  24.331  19.171  21.187
  902   2HB   ALA  29          HB2       ALA  29  24.177  17.442  21.500
  903   3HB   ALA  29          HB3       ALA  29  23.501  18.608  22.632
  904    H    MET  30           HN       MET  30  22.953  16.271  19.535
  905    HA   MET  30           HA       MET  30  23.975  17.429  17.162
  906   1HB   MET  30          HB2       MET  30  23.797  15.148  16.242
  907   2HB   MET  30          HB1       MET  30  24.567  15.167  17.823
  908   1HG   MET  30          HG2       MET  30  23.055  13.470  18.262
  909   2HG   MET  30          HG1       MET  30  21.976  14.798  18.590
  910   1HE   MET  30          HE1       MET  30  20.089  11.807  16.811
  911   2HE   MET  30          HE2       MET  30  19.771  13.014  18.050
  912   3HE   MET  30          HE3       MET  30  21.217  12.024  18.151
  913    H    ASN  31           HN       ASN  31  20.830  15.861  17.858
  914    HA   ASN  31           HA       ASN  31  19.699  16.176  15.340
  915   1HB   ASN  31          HB2       ASN  31  18.622  14.912  17.150
  916   2HB   ASN  31          HB1       ASN  31  18.322  16.409  18.027
  917   1HD2  ASN  31          HD21      ASN  31  15.995  16.223  17.901
  918   2HD2  ASN  31          HD22      ASN  31  15.161  16.398  16.433
  919    H    SER  32           HN       SER  32  19.978  18.513  17.985
  920    HA   SER  32           HA       SER  32  18.402  20.541  16.645
  921   1HB   SER  32          HB2       SER  32  19.206  22.008  18.450
  922   2HB   SER  32          HB1       SER  32  18.575  20.491  19.084
  923    HG   SER  32           HG       SER  32  20.692  19.749  19.278
  924    H    TYR  33           HN       TYR  33  21.893  20.187  17.353
  925    HA   TYR  33           HA       TYR  33  22.692  22.448  15.838
  926   1HB   TYR  33          HB2       TYR  33  24.103  21.481  17.576
  927   2HB   TYR  33          HB1       TYR  33  24.241  19.975  16.660
  928    HD1  TYR  33           HD1      TYR  33  25.072  23.601  16.673
  929    HD2  TYR  33           HD2      TYR  33  25.723  19.818  14.753
  930    HE1  TYR  33           HE1      TYR  33  26.959  24.579  15.395
  931    HE2  TYR  33           HE2      TYR  33  27.614  20.794  13.474
  932    HH   TYR  33           HH       TYR  33  29.276  22.988  14.024
  933    H    TYR  34           HN       TYR  34  22.323  19.024  15.059
  934    HA   TYR  34           HA       TYR  34  23.575  19.036  12.534
  935   1HB   TYR  34          HB2       TYR  34  22.996  16.956  13.741
  936   2HB   TYR  34          HB1       TYR  34  21.282  17.296  13.485
  937    HD1  TYR  34           HD2      TYR  34  20.293  17.160  11.225
  938    HD2  TYR  34           HD1      TYR  34  24.425  16.205  11.931
  939    HE1  TYR  34           HE2      TYR  34  20.424  16.083   8.996
  940    HE2  TYR  34           HE1      TYR  34  24.554  15.134   9.697
  941    HH   TYR  34           HH       TYR  34  21.996  15.426   7.363
  942    H    ARG  35           HN       ARG  35  20.082  19.185  13.307
  943    HA   ARG  35           HA       ARG  35  19.221  19.688  10.693
  944   1HB   ARG  35          HB2       ARG  35  17.108  20.315  11.639
  945   2HB   ARG  35          HB1       ARG  35  17.755  18.983  12.596
  946   1HG   ARG  35          HG2       ARG  35  18.630  20.658  14.209
  947   2HG   ARG  35          HG1       ARG  35  17.836  21.934  13.320
  948   1HD   ARG  35          HD2       ARG  35  15.679  20.795  13.670
  949   2HD   ARG  35          HD1       ARG  35  16.506  19.574  14.639
  950    HE   ARG  35           HE       ARG  35  17.016  22.261  15.561
  951   1HH1  ARG  35          HH21      ARG  35  14.824  19.584  15.590
  952   2HH1  ARG  35          HH22      ARG  35  14.111  20.002  17.111
  953   1HH2  ARG  35          HH11      ARG  35  16.080  22.823  17.555
  954   2HH2  ARG  35          HH12      ARG  35  14.823  21.839  18.225
  955    H    SER  36           HN       SER  36  20.646  21.737  13.087
  956    HA   SER  36           HA       SER  36  19.736  24.240  12.013
  957   1HB   SER  36          HB2       SER  36  22.058  23.622  13.846
  958   2HB   SER  36          HB1       SER  36  21.482  25.234  13.462
  959    HG   SER  36           HG       SER  36  19.349  24.032  14.156
  960    H    VAL  37           HN       VAL  37  22.760  22.388  11.773
  961    HA   VAL  37           HA       VAL  37  24.079  24.296  10.111
  962    HB   VAL  37           HB       VAL  37  24.487  21.332  10.576
  963   1HG1  VAL  37          HG11      VAL  37  26.080  23.213   8.811
  964   2HG1  VAL  37          HG12      VAL  37  25.403  21.640   8.381
  965   3HG1  VAL  37          HG13      VAL  37  26.778  21.737   9.478
  966   1HG2  VAL  37          HG21      VAL  37  26.004  23.807  11.456
  967   2HG2  VAL  37          HG22      VAL  37  26.518  22.150  11.749
  968   3HG2  VAL  37          HG23      VAL  37  25.031  22.745  12.477
  969    H    VAL  38           HN       VAL  38  22.858  21.056   9.199
  970    HA   VAL  38           HA       VAL  38  23.036  21.247   6.472
  971    HB   VAL  38           HB       VAL  38  21.217  19.629   6.322
  972   1HG1  VAL  38          HG11      VAL  38  22.797  19.202   8.874
  973   2HG1  VAL  38          HG12      VAL  38  23.411  18.898   7.252
  974   3HG1  VAL  38          HG13      VAL  38  22.063  17.952   7.875
  975   1HG2  VAL  38          HG21      VAL  38  19.499  20.536   7.703
  976   2HG2  VAL  38          HG22      VAL  38  20.570  20.660   9.094
  977   3HG2  VAL  38          HG23      VAL  38  20.005  19.076   8.552
  978    H    SER  39           HN       SER  39  20.415  22.516   8.514
  979    HA   SER  39           HA       SER  39  18.727  23.420   6.463
  980   1HB   SER  39          HB2       SER  39  17.868  23.380   8.692
  981   2HB   SER  39          HB1       SER  39  19.188  24.383   9.290
  982    HG   SER  39           HG       SER  39  18.268  26.119   8.449
  983    H    THR  40           HN       THR  40  21.453  24.985   8.119
  984    HA   THR  40           HA       THR  40  21.176  27.502   6.828
  985    HB   THR  40           HB       THR  40  23.624  26.223   8.070
  986    HG1  THR  40           HG1      THR  40  22.395  26.531   9.751
  987   1HG2  THR  40          HG21      THR  40  23.008  29.060   7.193
  988   2HG2  THR  40          HG22      THR  40  24.357  28.042   6.683
  989   3HG2  THR  40          HG23      THR  40  24.298  28.666   8.330
  990    H    LEU  41           HN       LEU  41  23.205  24.668   6.174
  991    HA   LEU  41           HA       LEU  41  24.598  25.728   3.970
  992   1HB   LEU  41          HB2       LEU  41  24.007  22.981   5.017
  993   2HB   LEU  41          HB1       LEU  41  24.628  23.081   3.375
  994    HG   LEU  41           HG       LEU  41  26.422  22.778   5.077
  995   1HD1  LEU  41          HD11      LEU  41  27.898  24.013   3.855
  996   2HD1  LEU  41          HD12      LEU  41  27.051  25.532   4.123
  997   3HD1  LEU  41          HD13      LEU  41  26.511  24.431   2.861
  998   1HD2  LEU  41          HD21      LEU  41  25.783  25.588   6.030
  999   2HD2  LEU  41          HD22      LEU  41  26.885  24.420   6.746
 1000   3HD2  LEU  41          HD23      LEU  41  25.156  24.154   6.829
 1001    H    VAL  42           HN       VAL  42  21.457  24.141   4.191
 1002    HA   VAL  42           HA       VAL  42  21.102  24.110   1.306
 1003    HB   VAL  42           HB       VAL  42  19.188  23.542   3.589
 1004   1HG1  VAL  42          HG11      VAL  42  18.882  23.311   0.573
 1005   2HG1  VAL  42          HG12      VAL  42  17.853  24.201   1.697
 1006   3HG1  VAL  42          HG13      VAL  42  17.846  22.440   1.706
 1007   1HG2  VAL  42          HG21      VAL  42  20.536  21.644   1.630
 1008   2HG2  VAL  42          HG22      VAL  42  19.619  21.219   3.077
 1009   3HG2  VAL  42          HG23      VAL  42  21.190  21.999   3.228
 1010    H    GLN  43           HN       GLN  43  20.058  26.088   4.043
 1011    HA   GLN  43           HA       GLN  43  18.165  27.675   2.697
 1012   1HB   GLN  43          HB2       GLN  43  18.425  27.626   5.157
 1013   2HB   GLN  43          HB1       GLN  43  19.966  28.465   5.001
 1014   1HG   GLN  43          HG2       GLN  43  18.889  30.425   4.112
 1015   2HG   GLN  43          HG1       GLN  43  17.352  29.578   3.945
 1016   1HE2  GLN  43          HE21      GLN  43  17.629  32.005   5.460
 1017   2HE2  GLN  43          HE22      GLN  43  17.354  31.637   7.094
 1018    H    ASP  44           HN       ASP  44  21.505  27.458   2.246
 1019    HA   ASP  44           HA       ASP  44  21.493  29.881   0.559
 1020   1HB   ASP  44          HB2       ASP  44  23.562  29.262   2.680
 1021   2HB   ASP  44          HB1       ASP  44  23.732  30.504   1.438
 1022    H    GLN  45           HN       GLN  45  23.300  29.930  -0.925
 1023    HA   GLN  45           HA       GLN  45  24.763  28.994  -2.424
 1024   1HB   GLN  45          HB2       GLN  45  25.793  27.917  -0.332
 1025   2HB   GLN  45          HB1       GLN  45  24.831  26.491  -0.692
 1026   1HG   GLN  45          HG2       GLN  45  25.885  26.209  -2.819
 1027   2HG   GLN  45          HG1       GLN  45  26.763  27.724  -2.646
 1028   1HE2  GLN  45          HE21      GLN  45  28.915  27.008  -2.450
 1029   2HE2  GLN  45          HE22      GLN  45  29.438  25.892  -1.283
 1030    H    LEU  46           HN       LEU  46  24.830  27.273  -4.081
 1031    HA   LEU  46           HA       LEU  46  22.959  25.246  -4.344
 1032   1HB   LEU  46          HB2       LEU  46  21.758  27.865  -4.702
 1033   2HB   LEU  46          HB1       LEU  46  21.763  27.096  -6.273
 1034    HG   LEU  46           HG       LEU  46  20.719  25.680  -3.788
 1035   1HD1  LEU  46          HD11      LEU  46  19.406  27.710  -4.109
 1036   2HD1  LEU  46          HD12      LEU  46  18.461  26.308  -4.611
 1037   3HD1  LEU  46          HD13      LEU  46  19.213  27.345  -5.824
 1038   1HD2  LEU  46          HD21      LEU  46  19.605  24.258  -5.458
 1039   2HD2  LEU  46          HD22      LEU  46  21.337  24.284  -5.777
 1040   3HD2  LEU  46          HD23      LEU  46  20.243  25.253  -6.762
 1041    H    THR  47           HN       THR  47  25.704  26.171  -5.041
 1042    HA   THR  47           HA       THR  47  25.960  26.415  -7.835
 1043    HB   THR  47           HB       THR  47  27.813  27.001  -6.412
 1044    HG1  THR  47           HG1      THR  47  28.311  24.652  -7.916
 1045   1HG2  THR  47          HG21      THR  47  27.327  25.445  -4.571
 1046   2HG2  THR  47          HG22      THR  47  28.999  25.294  -5.094
 1047   3HG2  THR  47          HG23      THR  47  27.812  24.092  -5.584
 1048    H    LYS  48           HN       LYS  48  25.596  23.663  -5.724
 1049    HA   LYS  48           HA       LYS  48  24.825  21.949  -7.851
 1050   1HB   LYS  48          HB2       LYS  48  27.360  22.052  -8.122
 1051   2HB   LYS  48          HB1       LYS  48  27.463  21.261  -6.564
 1052   1HG   LYS  48          HG2       LYS  48  27.535  19.405  -7.983
 1053   2HG   LYS  48          HG1       LYS  48  25.811  19.491  -7.651
 1054   1HD   LYS  48          HD2       LYS  48  25.598  20.906  -9.781
 1055   2HD   LYS  48          HD1       LYS  48  27.277  20.502 -10.110
 1056   1HE   LYS  48          HE2       LYS  48  25.100  18.440  -9.669
 1057   2HE   LYS  48          HE1       LYS  48  25.633  18.996 -11.257
 1058   1HZ   LYS  48          HZ1       LYS  48  27.004  17.303  -9.328
 1059   2HZ   LYS  48          HZ2       LYS  48  27.967  18.416 -10.176
 1060   3HZ   LYS  48          HZ3       LYS  48  27.043  17.269 -11.023
 1061    H    ASN  49           HN       ASN  49  23.382  20.622  -6.966
 1062    HA   ASN  49           HA       ASN  49  22.734  20.416  -4.306
 1063   1HB   ASN  49          HB2       ASN  49  21.712  18.168  -4.925
 1064   2HB   ASN  49          HB1       ASN  49  21.223  19.531  -5.932
 1065   1HD2  ASN  49          HD21      ASN  49  24.011  17.210  -5.920
 1066   2HD2  ASN  49          HD22      ASN  49  23.923  16.897  -7.585
 1067    H    ALA  50           HN       ALA  50  25.276  18.733  -6.044
 1068    HA   ALA  50           HA       ALA  50  25.796  16.772  -3.996
 1069   1HB   ALA  50          HB1       ALA  50  26.454  16.440  -6.369
 1070   2HB   ALA  50          HB2       ALA  50  27.820  16.276  -5.265
 1071   3HB   ALA  50          HB3       ALA  50  27.621  17.752  -6.207
 1072    H    VAL  51           HN       VAL  51  27.331  19.838  -4.953
 1073    HA   VAL  51           HA       VAL  51  29.461  19.897  -3.162
 1074    HB   VAL  51           HB       VAL  51  27.722  22.073  -4.330
 1075   1HG1  VAL  51          HG11      VAL  51  29.919  22.427  -2.270
 1076   2HG1  VAL  51          HG12      VAL  51  28.310  23.150  -2.291
 1077   3HG1  VAL  51          HG13      VAL  51  29.533  23.705  -3.423
 1078   1HG2  VAL  51          HG21      VAL  51  30.712  21.662  -4.668
 1079   2HG2  VAL  51          HG22      VAL  51  29.599  22.520  -5.731
 1080   3HG2  VAL  51          HG23      VAL  51  29.548  20.762  -5.637
 1081    H    VAL  52           HN       VAL  52  26.068  20.833  -2.559
 1082    HA   VAL  52           HA       VAL  52  26.587  21.577   0.187
 1083    HB   VAL  52           HB       VAL  52  24.089  21.683   0.341
 1084   1HG1  VAL  52          HG11      VAL  52  25.431  23.023  -2.034
 1085   2HG1  VAL  52          HG12      VAL  52  25.347  23.642  -0.386
 1086   3HG1  VAL  52          HG13      VAL  52  23.881  23.523  -1.357
 1087   1HG2  VAL  52          HG21      VAL  52  23.590  19.864  -1.257
 1088   2HG2  VAL  52          HG22      VAL  52  24.272  20.829  -2.563
 1089   3HG2  VAL  52          HG23      VAL  52  22.809  21.364  -1.752
 1090    H    LEU  53           HN       LEU  53  25.533  18.702  -1.503
 1091    HA   LEU  53           HA       LEU  53  24.571  17.248   0.707
 1092   1HB   LEU  53          HB2       LEU  53  24.324  16.723  -1.802
 1093   2HB   LEU  53          HB1       LEU  53  25.921  16.006  -1.693
 1094    HG   LEU  53           HG       LEU  53  24.786  14.749   0.411
 1095   1HD1  LEU  53          HD11      LEU  53  22.427  15.177  -1.427
 1096   2HD1  LEU  53          HD12      LEU  53  22.631  15.987   0.126
 1097   3HD1  LEU  53          HD13      LEU  53  22.456  14.235   0.063
 1098   1HD2  LEU  53          HD21      LEU  53  25.768  13.561  -1.462
 1099   2HD2  LEU  53          HD22      LEU  53  24.391  13.970  -2.488
 1100   3HD2  LEU  53          HD23      LEU  53  24.181  12.875  -1.119
 1101    H    LYS  54           HN       LYS  54  27.789  17.526  -0.713
 1102    HA   LYS  54           HA       LYS  54  29.109  15.512   0.666
 1103   1HB   LYS  54          HB2       LYS  54  31.088  16.512  -0.097
 1104   2HB   LYS  54          HB1       LYS  54  29.917  17.282  -1.166
 1105   1HG   LYS  54          HG2       LYS  54  29.801  19.166   0.524
 1106   2HG   LYS  54          HG1       LYS  54  31.162  18.444   1.349
 1107   1HD   LYS  54          HD2       LYS  54  32.514  18.643  -0.683
 1108   2HD   LYS  54          HD1       LYS  54  31.147  19.388  -1.519
 1109   1HE   LYS  54          HE2       LYS  54  31.109  21.202   0.146
 1110   2HE   LYS  54          HE1       LYS  54  32.477  20.464   0.981
 1111   1HZ   LYS  54          HZ1       LYS  54  33.111  22.260  -0.557
 1112   2HZ   LYS  54          HZ2       LYS  54  32.516  21.333  -1.852
 1113   3HZ   LYS  54          HZ3       LYS  54  33.833  20.773  -0.935
 1114    H    ARG  55           HN       ARG  55  28.277  18.774   1.708
 1115    HA   ARG  55           HA       ARG  55  29.713  18.752   4.143
 1116   1HB   ARG  55          HB2       ARG  55  27.372  20.357   3.117
 1117   2HB   ARG  55          HB1       ARG  55  28.040  20.633   4.719
 1118   1HG   ARG  55          HG2       ARG  55  29.928  20.621   2.350
 1119   2HG   ARG  55          HG1       ARG  55  28.930  22.040   2.622
 1120   1HD   ARG  55          HD2       ARG  55  30.775  20.803   4.689
 1121   2HD   ARG  55          HD1       ARG  55  31.152  22.218   3.711
 1122    HE   ARG  55           HE       ARG  55  28.751  22.817   4.914
 1123   1HH1  ARG  55          HH21      ARG  55  31.902  21.843   5.951
 1124   2HH1  ARG  55          HH22      ARG  55  31.822  22.696   7.456
 1125   1HH2  ARG  55          HH11      ARG  55  28.640  23.945   6.879
 1126   2HH2  ARG  55          HH12      ARG  55  29.972  23.887   7.982
 1127    H    ILE  56           HN       ILE  56  26.413  17.854   3.259
 1128    HA   ILE  56           HA       ILE  56  25.514  17.381   5.905
 1129    HB   ILE  56           HB       ILE  56  24.529  16.168   3.315
 1130   1HG1  ILE  56          HG12      ILE  56  23.630  18.689   4.760
 1131   2HG1  ILE  56          HG11      ILE  56  24.618  18.673   3.307
 1132   1HG2  ILE  56          HG21      ILE  56  23.654  15.016   5.273
 1133   2HG2  ILE  56          HG22      ILE  56  22.384  16.023   4.604
 1134   3HG2  ILE  56          HG23      ILE  56  23.258  16.550   6.040
 1135   1HD1  ILE  56          HD11      ILE  56  22.766  17.328   2.202
 1136   2HD1  ILE  56          HD12      ILE  56  22.381  19.005   2.569
 1137   3HD1  ILE  56          HD13      ILE  56  21.782  17.715   3.609
 1138    H    GLN  57           HN       GLN  57  26.648  15.183   3.333
 1139    HA   GLN  57           HA       GLN  57  26.471  12.797   4.771
 1140   1HB   GLN  57          HB2       GLN  57  28.407  13.603   2.586
 1141   2HB   GLN  57          HB1       GLN  57  28.178  11.949   3.156
 1142   1HG   GLN  57          HG2       GLN  57  25.948  13.676   2.079
 1143   2HG   GLN  57          HG1       GLN  57  26.842  12.525   1.095
 1144   1HE2  GLN  57          HE21      GLN  57  23.996  12.808   2.760
 1145   2HE2  GLN  57          HE22      GLN  57  23.756  11.187   3.196
 1146    H    HIS  58           HN       HIS  58  29.048  15.206   4.582
 1147    HA   HIS  58           HA       HIS  58  30.903  13.687   6.161
 1148   1HB   HIS  58          HB2       HIS  58  30.821  16.640   5.481
 1149   2HB   HIS  58          HB1       HIS  58  32.168  15.817   6.268
 1150    HD1  HIS  58           HD1      HIS  58  31.475  13.190   4.338
 1151    HD2  HIS  58           HD2      HIS  58  32.623  17.034   3.201
 1152    HE1  HIS  58           HE1      HIS  58  32.454  12.986   2.011
 1153    HE2  HIS  58           HE2      HIS  58  33.159  15.322   1.304
 1154    H    LEU  59           HN       LEU  59  28.519  16.218   6.791
 1155    HA   LEU  59           HA       LEU  59  29.239  16.849   9.409
 1156   1HB   LEU  59          HB2       LEU  59  27.501  18.060   8.093
 1157   2HB   LEU  59          HB1       LEU  59  26.422  16.689   8.313
 1158    HG   LEU  59           HG       LEU  59  26.580  17.010  10.791
 1159   1HD1  LEU  59          HD11      LEU  59  28.427  19.249   9.959
 1160   2HD1  LEU  59          HD12      LEU  59  28.583  18.106  11.292
 1161   3HD1  LEU  59          HD13      LEU  59  27.444  19.434  11.412
 1162   1HD2  LEU  59          HD21      LEU  59  25.677  19.383   9.150
 1163   2HD2  LEU  59          HD22      LEU  59  25.220  19.084  10.825
 1164   3HD2  LEU  59          HD23      LEU  59  24.723  17.961   9.565
 1165    H    ASP  60           HN       ASP  60  27.535  14.080   8.138
 1166    HA   ASP  60           HA       ASP  60  26.285  13.087  10.410
 1167   1HB   ASP  60          HB2       ASP  60  27.672  11.591   8.169
 1168   2HB   ASP  60          HB1       ASP  60  26.636  10.826   9.370
 1169    H    GLU  61           HN       GLU  61  29.679  13.183   9.611
 1170    HA   GLU  61           HA       GLU  61  30.635  11.218  11.397
 1171   1HB   GLU  61          HB2       GLU  61  32.788  12.090  10.958
 1172   2HB   GLU  61          HB1       GLU  61  31.872  12.484   9.504
 1173   1HG   GLU  61          HG2       GLU  61  31.402  14.774  10.659
 1174   2HG   GLU  61          HG1       GLU  61  32.681  14.327  11.775
 1175    H    ALA  62           HN       ALA  62  29.785  14.600  11.844
 1176    HA   ALA  62           HA       ALA  62  30.888  14.852  14.470
 1177   1HB   ALA  62          HB1       ALA  62  30.444  16.780  12.973
 1178   2HB   ALA  62          HB2       ALA  62  29.658  16.951  14.541
 1179   3HB   ALA  62          HB3       ALA  62  28.715  16.474  13.132
 1180    H    TYR  63           HN       TYR  63  27.555  14.509  13.269
 1181    HA   TYR  63           HA       TYR  63  26.258  14.376  15.719
 1182   1HB   TYR  63          HB2       TYR  63  24.592  14.376  14.132
 1183   2HB   TYR  63          HB1       TYR  63  25.655  13.678  12.921
 1184    HD1  TYR  63           HD1      TYR  63  23.861  12.732  16.065
 1185    HD2  TYR  63           HD2      TYR  63  25.204  11.448  12.199
 1186    HE1  TYR  63           HE1      TYR  63  22.735  10.553  16.400
 1187    HE2  TYR  63           HE2      TYR  63  24.100   9.257  12.542
 1188    HH   TYR  63           HH       TYR  63  22.180   8.353  13.936
 1189    H    ASN  64           HN       ASN  64  27.700  11.753  13.789
 1190    HA   ASN  64           HA       ASN  64  26.946   9.634  15.489
 1191   1HB   ASN  64          HB2       ASN  64  29.204   9.924  13.493
 1192   2HB   ASN  64          HB1       ASN  64  28.855   8.415  14.336
 1193   1HD2  ASN  64          HD21      ASN  64  28.341   9.800  11.416
 1194   2HD2  ASN  64          HD22      ASN  64  26.824   9.143  11.031
 1195    H    LYS  65           HN       LYS  65  29.704  11.806  15.454
 1196    HA   LYS  65           HA       LYS  65  31.297  10.441  17.315
 1197   1HB   LYS  65          HB2       LYS  65  31.935  12.451  15.847
 1198   2HB   LYS  65          HB1       LYS  65  31.146  13.456  17.056
 1199   1HG   LYS  65          HG2       LYS  65  33.336  13.462  17.893
 1200   2HG   LYS  65          HG1       LYS  65  32.703  12.077  18.757
 1201   1HD   LYS  65          HD2       LYS  65  33.621  10.598  16.976
 1202   2HD   LYS  65          HD1       LYS  65  34.300  12.014  16.181
 1203   1HE   LYS  65          HE2       LYS  65  35.646  12.515  18.165
 1204   2HE   LYS  65          HE1       LYS  65  34.939  11.136  19.010
 1205   1HZ   LYS  65          HZ1       LYS  65  35.821  10.124  16.630
 1206   2HZ   LYS  65          HZ2       LYS  65  36.571   9.938  18.143
 1207   3HZ   LYS  65          HZ3       LYS  65  37.052  11.191  17.101
 1208    H    VAL  66           HN       VAL  66  28.659  12.749  17.724
 1209    HA   VAL  66           HA       VAL  66  28.995  13.231  20.469
 1210    HB   VAL  66           HB       VAL  66  26.451  13.206  18.799
 1211   1HG1  VAL  66          HG11      VAL  66  25.765  13.053  21.093
 1212   2HG1  VAL  66          HG12      VAL  66  25.620  14.750  20.646
 1213   3HG1  VAL  66          HG13      VAL  66  26.996  14.206  21.608
 1214   1HG2  VAL  66          HG21      VAL  66  28.417  15.377  19.595
 1215   2HG2  VAL  66          HG22      VAL  66  26.830  15.696  18.904
 1216   3HG2  VAL  66          HG23      VAL  66  28.033  14.820  17.967
 1217    H    LYS  67           HN       LYS  67  26.735  10.980  18.883
 1218    HA   LYS  67           HA       LYS  67  25.894   9.720  21.254
 1219   1HB   LYS  67          HB2       LYS  67  26.046   8.568  18.465
 1220   2HB   LYS  67          HB1       LYS  67  25.055   7.975  19.796
 1221   1HG   LYS  67          HG2       LYS  67  24.303  10.662  19.731
 1222   2HG   LYS  67          HG1       LYS  67  24.617  10.345  18.028
 1223   1HD   LYS  67          HD2       LYS  67  22.776   8.755  19.828
 1224   2HD   LYS  67          HD1       LYS  67  22.260   9.941  18.639
 1225   1HE   LYS  67          HE2       LYS  67  23.622   8.409  16.945
 1226   2HE   LYS  67          HE1       LYS  67  23.431   7.186  18.199
 1227   1HZ   LYS  67          HZ1       LYS  67  20.948   8.159  18.050
 1228   2HZ   LYS  67          HZ2       LYS  67  21.496   6.819  17.160
 1229   3HZ   LYS  67          HZ3       LYS  67  21.449   8.357  16.441
 1230    H    ARG  68           HN       ARG  68  28.349   8.782  18.878
 1231    HA   ARG  68           HA       ARG  68  29.126   6.364  19.996
 1232   1HB   ARG  68          HB2       ARG  68  29.831   7.312  17.755
 1233   2HB   ARG  68          HB1       ARG  68  30.980   8.335  18.616
 1234   1HG   ARG  68          HG2       ARG  68  32.114   6.387  19.511
 1235   2HG   ARG  68          HG1       ARG  68  30.901   5.314  18.824
 1236   1HD   ARG  68          HD2       ARG  68  32.817   5.268  17.368
 1237   2HD   ARG  68          HD1       ARG  68  31.542   6.163  16.547
 1238    HE   ARG  68           HE       ARG  68  33.178   7.969  17.993
 1239   1HH1  ARG  68          HH21      ARG  68  33.200   5.852  15.256
 1240   2HH1  ARG  68          HH22      ARG  68  34.361   6.783  14.370
 1241   1HH2  ARG  68          HH11      ARG  68  34.705   9.191  16.837
 1242   2HH2  ARG  68          HH12      ARG  68  35.207   8.678  15.263
 1243    H    GLY  69           HN       GLY  69  29.488   9.521  21.192
 1244   1HA   GLY  69          HA2       GLY  69  31.756   8.857  22.950
 1245   2HA   GLY  69          HA1       GLY  69  31.029  10.440  22.708
 1246    H    GLU  70           HN       GLU  70  28.332   8.946  22.937
 1247    HA   GLU  70           HA       GLU  70  28.103   9.271  25.858
 1248   1HB   GLU  70          HB2       GLU  70  26.050   8.994  23.648
 1249   2HB   GLU  70          HB1       GLU  70  25.656   9.177  25.357
 1250   1HG   GLU  70          HG2       GLU  70  27.394  11.150  23.852
 1251   2HG   GLU  70          HG1       GLU  70  25.657  11.337  23.992
 1252    H    SER  71           HN       SER  71  26.924   6.966  23.384
 1253    HA   SER  71           HA       SER  71  26.758   4.853  25.447
 1254   1HB   SER  71          HB2       SER  71  24.808   5.262  23.989
 1255   2HB   SER  71          HB1       SER  71  25.799   4.878  22.586
 1256    HG   SER  71           HG       SER  71  24.909   3.220  24.680
 1257    H    LYS  72           HN       LYS  72  29.044   4.590  25.603
 1258    HA   LYS  72           HA       LYS  72  30.017   2.502  23.929
 1259   1HB   LYS  72          HB2       LYS  72  30.386   4.473  22.414
 1260   2HB   LYS  72          HB1       LYS  72  31.440   5.165  23.646
 1261   1HG   LYS  72          HG2       LYS  72  32.915   3.220  23.519
 1262   2HG   LYS  72          HG1       LYS  72  31.834   2.458  22.354
 1263   1HD   LYS  72          HD2       LYS  72  32.233   4.303  20.773
 1264   2HD   LYS  72          HD1       LYS  72  33.308   5.073  21.940
 1265   1HE   LYS  72          HE2       LYS  72  34.622   3.809  20.297
 1266   2HE   LYS  72          HE1       LYS  72  34.773   3.068  21.890
 1267   1HZ   LYS  72          HZ1       LYS  72  33.194   1.411  21.298
 1268   2HZ   LYS  72          HZ2       LYS  72  34.347   1.477  20.052
 1269   3HZ   LYS  72          HZ3       LYS  72  32.818   2.188  19.838
 1270    H    LEU  73           HN       LEU  73  31.201   5.244  25.884
 1271    HA   LEU  73           HA       LEU  73  32.633   3.310  27.629
 1272   1HB   LEU  73          HB2       LEU  73  34.254   4.566  26.266
 1273   2HB   LEU  73          HB1       LEU  73  33.548   6.083  26.809
 1274    HG   LEU  73           HG       LEU  73  34.199   5.583  29.138
 1275   1HD1  LEU  73          HD11      LEU  73  35.885   3.571  29.379
 1276   2HD1  LEU  73          HD12      LEU  73  35.064   2.943  27.951
 1277   3HD1  LEU  73          HD13      LEU  73  34.154   3.257  29.429
 1278   1HD2  LEU  73          HD21      LEU  73  36.572   5.905  28.899
 1279   2HD2  LEU  73          HD22      LEU  73  35.784   6.725  27.550
 1280   3HD2  LEU  73          HD23      LEU  73  36.566   5.164  27.298
 1281    H    GLU  74           HN       GLU  74  32.226   3.433  29.719
 1282    HA   GLU  74           HA       GLU  74  30.469   5.602  30.719
 1283   1HB   GLU  74          HB2       GLU  74  31.105   2.855  31.829
 1284   2HB   GLU  74          HB1       GLU  74  30.018   4.027  32.575
 1285   1HG   GLU  74          HG2       GLU  74  29.665   2.927  29.771
 1286   2HG   GLU  74          HG1       GLU  74  28.830   2.299  31.187
 1287    H    HIS  75           HN       HIS  75  33.700   4.703  30.670
 1288    HA   HIS  75           HA       HIS  75  35.549   5.380  31.844
 1289   1HB   HIS  75          HB2       HIS  75  33.726   7.496  33.013
 1290   2HB   HIS  75          HB1       HIS  75  35.481   7.550  32.888
 1291    HD1  HIS  75           HD1      HIS  75  36.473   8.366  30.714
 1292    HD2  HIS  75           HD2      HIS  75  32.382   7.621  30.405
 1293    HE1  HIS  75           HE1      HIS  75  35.757   9.226  28.442
 1294    HE2  HIS  75           HE2      HIS  75  33.265   8.779  28.238
 1295    H    HIS  76           HN       HIS  76  33.297   3.652  33.089
 1296    HA   HIS  76           HA       HIS  76  32.831   2.635  35.107
 1297   1HB   HIS  76          HB2       HIS  76  35.776   3.210  35.518
 1298   2HB   HIS  76          HB1       HIS  76  34.824   2.019  36.406
 1299    HD1  HIS  76           HD1      HIS  76  37.107   0.833  34.920
 1300    HD2  HIS  76           HD2      HIS  76  33.433   1.505  33.067
 1301    HE1  HIS  76           HE1      HIS  76  37.024  -0.710  32.912
 1302    HE2  HIS  76           HE2      HIS  76  34.791  -0.311  31.772
 1303    H    HIS  77           HN       HIS  77  33.898   2.990  37.666
 1304    HA   HIS  77           HA       HIS  77  32.409   5.230  38.581
 1305   1HB   HIS  77          HB2       HIS  77  32.805   3.189  39.937
 1306   2HB   HIS  77          HB1       HIS  77  34.510   3.623  40.055
 1307    HD1  HIS  77           HD1      HIS  77  35.083   5.837  41.391
 1308    HD2  HIS  77           HD2      HIS  77  31.104   4.622  41.659
 1309    HE1  HIS  77           HE1      HIS  77  34.063   7.140  43.309
 1310    HE2  HIS  77           HE2      HIS  77  31.638   6.409  43.485
 1311    H    HIS  78           HN       HIS  78  33.176   7.120  37.643
 1312    HA   HIS  78           HA       HIS  78  35.943   7.862  37.647
 1313   1HB   HIS  78          HB2       HIS  78  34.241   8.759  36.043
 1314   2HB   HIS  78          HB1       HIS  78  33.520   9.662  37.375
 1315    HD1  HIS  78           HD1      HIS  78  36.911   9.292  35.668
 1316    HD2  HIS  78           HD2      HIS  78  34.718  12.127  37.798
 1317    HE1  HIS  78           HE1      HIS  78  38.275  11.424  35.636
 1318    HE2  HIS  78           HE2      HIS  78  36.954  13.162  36.934
 1319    H    HIS  79           HN       HIS  79  37.110   8.678  39.261
 1320    HA   HIS  79           HA       HIS  79  35.945   9.162  41.849
 1321   1HB   HIS  79          HB2       HIS  79  38.215   8.203  41.550
 1322   2HB   HIS  79          HB1       HIS  79  38.753   9.736  40.868
 1323    HD1  HIS  79           HD1      HIS  79  38.921  11.779  42.488
 1324    HD2  HIS  79           HD2      HIS  79  37.832   8.219  44.362
 1325    HE1  HIS  79           HE1      HIS  79  39.152  12.181  44.978
 1326    HE2  HIS  79           HE2      HIS  79  38.492  10.018  46.135
 1327    H    HIS  80           HN       HIS  80  38.180  11.331  40.139
 1328    HA   HIS  80           HA       HIS  80  36.930  13.666  41.306
 1329   1HB   HIS  80          HB2       HIS  80  38.639  14.908  40.032
 1330   2HB   HIS  80          HB1       HIS  80  39.353  13.594  40.967
 1331    HD1  HIS  80           HD1      HIS  80  39.127  14.917  37.577
 1332    HD2  HIS  80           HD2      HIS  80  39.843  11.181  39.281
 1333    HE1  HIS  80           HE1      HIS  80  40.151  13.484  35.757
 1334    HE2  HIS  80           HE2      HIS  80  40.593  11.203  36.780
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1  -7.965  -1.847  -0.134
    2   2H    MET   1          HT2       MET   1  -7.614  -0.373  -0.902
    3   3H    MET   1          HT3       MET   1  -7.592  -0.477   0.794
    4    HA   MET   1           HA       MET   1  -5.763  -2.177   0.539
    5   1HB   MET   1          HB2       MET   1  -5.864  -0.976  -2.245
    6   2HB   MET   1          HB1       MET   1  -4.496  -1.896  -1.622
    7   1HG   MET   1          HG2       MET   1  -5.964  -3.843  -1.255
    8   2HG   MET   1          HG1       MET   1  -7.343  -2.919  -1.847
    9   1HE   MET   1          HE1       MET   1  -4.626  -5.401  -2.801
   10   2HE   MET   1          HE2       MET   1  -3.709  -3.906  -2.637
   11   3HE   MET   1          HE3       MET   1  -3.841  -4.680  -4.212
   12    H    SER   2           HN       SER   2  -3.417  -1.114  -0.151
   13    HA   SER   2           HA       SER   2  -3.098   1.065   1.625
   14   1HB   SER   2          HB2       SER   2  -1.250  -0.011  -0.515
   15   2HB   SER   2          HB1       SER   2  -0.782   1.166   0.709
   16    HG   SER   2           HG       SER   2  -1.309  -0.375   2.292
   17    H    GLU   3           HN       GLU   3  -2.665   0.974  -1.924
   18    HA   GLU   3           HA       GLU   3  -2.723   2.666  -3.496
   19   1HB   GLU   3          HB2       GLU   3  -5.012   3.471  -1.682
   20   2HB   GLU   3          HB1       GLU   3  -4.711   4.195  -3.263
   21   1HG   GLU   3          HG2       GLU   3  -4.958   2.021  -4.346
   22   2HG   GLU   3          HG1       GLU   3  -5.152   1.237  -2.782
   23    H    LEU   4           HN       LEU   4  -0.678   3.562  -2.979
   24    HA   LEU   4           HA       LEU   4  -0.285   5.525  -0.971
   25   1HB   LEU   4          HB2       LEU   4   1.288   5.139  -3.527
   26   2HB   LEU   4          HB1       LEU   4   1.849   5.910  -2.045
   27    HG   LEU   4           HG       LEU   4   1.035   2.996  -2.309
   28   1HD1  LEU   4          HD11      LEU   4   3.472   2.588  -1.982
   29   2HD1  LEU   4          HD12      LEU   4   3.748   4.328  -2.072
   30   3HD1  LEU   4          HD13      LEU   4   3.124   3.460  -3.476
   31   1HD2  LEU   4          HD21      LEU   4   1.992   4.683   0.026
   32   2HD2  LEU   4          HD22      LEU   4   2.256   2.939   0.002
   33   3HD2  LEU   4          HD23      LEU   4   0.619   3.576  -0.044
   34    H    PHE   5           HN       PHE   5  -0.763   7.614  -0.933
   35    HA   PHE   5           HA       PHE   5  -1.909   8.870  -3.354
   36   1HB   PHE   5          HB2       PHE   5  -1.971   9.667  -0.428
   37   2HB   PHE   5          HB1       PHE   5  -2.687  10.607  -1.736
   38    HD1  PHE   5           HD2      PHE   5  -4.596   9.709  -3.048
   39    HD2  PHE   5           HD1      PHE   5  -3.001   7.599   0.336
   40    HE1  PHE   5           HE2      PHE   5  -6.628   8.291  -2.976
   41    HE2  PHE   5           HE1      PHE   5  -5.034   6.180   0.408
   42    HZ   PHE   5           HZ       PHE   5  -6.847   6.526  -1.247
   43    H    SER   6           HN       SER   6   0.724   8.624  -3.718
   44    HA   SER   6           HA       SER   6   2.697   9.740  -4.066
   45   1HB   SER   6          HB2       SER   6   1.312  11.049  -5.532
   46   2HB   SER   6          HB1       SER   6   0.673  11.989  -4.192
   47    HG   SER   6           HG       SER   6   2.379  13.207  -4.283
   48    H    VAL   7           HN       VAL   7   2.761  12.722  -3.104
   49    HA   VAL   7           HA       VAL   7   4.291  12.276  -0.784
   50    HB   VAL   7           HB       VAL   7   3.093  14.700  -2.093
   51   1HG1  VAL   7          HG11      VAL   7   4.254  16.103  -0.293
   52   2HG1  VAL   7          HG12      VAL   7   4.308  14.645   0.682
   53   3HG1  VAL   7          HG13      VAL   7   2.759  15.333   0.200
   54   1HG2  VAL   7          HG21      VAL   7   5.421  15.392  -2.301
   55   2HG2  VAL   7          HG22      VAL   7   5.246  13.741  -2.890
   56   3HG2  VAL   7          HG23      VAL   7   5.942  14.037  -1.297
   57    HA   PRO   8           HA       PRO   8   0.175  14.003   1.567
   58   1HB   PRO   8          HB2       PRO   8  -1.519  12.092  -0.042
   59   2HB   PRO   8          HB1       PRO   8  -1.976  13.630   0.721
   60   1HG   PRO   8          HG2       PRO   8  -1.393  13.330  -1.967
   61   2HG   PRO   8          HG1       PRO   8  -1.292  14.862  -1.083
   62   1HD   PRO   8          HD2       PRO   8   0.893  13.345  -2.224
   63   2HD   PRO   8          HD1       PRO   8   0.972  14.885  -1.360
   64    H    TYR   9           HN       TYR   9   0.973  10.816   0.281
   65    HA   TYR   9           HA       TYR   9  -0.089   9.238   2.368
   66   1HB   TYR   9          HB2       TYR   9   0.636   8.368   0.136
   67   2HB   TYR   9          HB1       TYR   9   2.312   8.637   0.618
   68    HD1  TYR   9           HD2      TYR   9   3.344   7.307   2.431
   69    HD2  TYR   9           HD1      TYR   9  -0.687   6.579   1.136
   70    HE1  TYR   9           HE2      TYR   9   3.351   5.137   3.630
   71    HE2  TYR   9           HE1      TYR   9  -0.680   4.408   2.333
   72    HH   TYR   9           HH       TYR   9   0.827   2.799   3.211
   73    H    PHE  10           HN       PHE  10   3.126  10.672   1.862
   74    HA   PHE  10           HA       PHE  10   4.372   9.552   4.135
   75   1HB   PHE  10          HB2       PHE  10   4.923  11.831   2.269
   76   2HB   PHE  10          HB1       PHE  10   5.763  11.887   3.815
   77    HD1  PHE  10           HD2      PHE  10   4.794   9.057   1.537
   78    HD2  PHE  10           HD1      PHE  10   7.993  11.156   3.494
   79    HE1  PHE  10           HE2      PHE  10   6.412   7.382   0.688
   80    HE2  PHE  10           HE1      PHE  10   9.602   9.476   2.645
   81    HZ   PHE  10           HZ       PHE  10   8.827   7.599   1.249
   82    H    ILE  11           HN       ILE  11   2.580  12.587   3.690
   83    HA   ILE  11           HA       ILE  11   3.025  13.577   6.300
   84    HB   ILE  11           HB       ILE  11   0.843  14.108   4.266
   85   1HG1  ILE  11          HG12      ILE  11   3.150  15.831   5.160
   86   2HG1  ILE  11          HG11      ILE  11   3.269  14.759   3.779
   87   1HG2  ILE  11          HG21      ILE  11  -0.103  14.688   6.417
   88   2HG2  ILE  11          HG22      ILE  11   0.414  16.181   5.654
   89   3HG2  ILE  11          HG23      ILE  11   1.402  15.458   6.926
   90   1HD1  ILE  11          HD11      ILE  11   1.222  16.973   4.093
   91   2HD1  ILE  11          HD12      ILE  11   1.454  15.957   2.670
   92   3HD1  ILE  11          HD13      ILE  11   2.708  17.104   3.152
   93    H    GLU  12           HN       GLU  12   0.315  11.775   4.890
   94    HA   GLU  12           HA       GLU  12  -1.387  11.669   7.059
   95   1HB   GLU  12          HB2       GLU  12  -1.831  10.780   4.747
   96   2HB   GLU  12          HB1       GLU  12  -0.846   9.376   5.154
   97   1HG   GLU  12          HG2       GLU  12  -2.344   8.852   7.028
   98   2HG   GLU  12          HG1       GLU  12  -3.308  10.278   6.660
   99    H    ASN  13           HN       ASN  13   1.658  10.053   6.591
  100    HA   ASN  13           HA       ASN  13   1.298   8.050   8.615
  101   1HB   ASN  13          HB2       ASN  13   2.961   7.912   6.723
  102   2HB   ASN  13          HB1       ASN  13   3.912   9.143   7.549
  103   1HD2  ASN  13          HD21      ASN  13   2.559   5.849   8.008
  104   2HD2  ASN  13          HD22      ASN  13   3.729   5.366   9.138
  105    H    LEU  14           HN       LEU  14   2.658  11.302   8.493
  106    HA   LEU  14           HA       LEU  14   3.829  11.344  11.063
  107   1HB   LEU  14          HB2       LEU  14   2.645  13.699   9.568
  108   2HB   LEU  14          HB1       LEU  14   3.921  13.733  10.785
  109    HG   LEU  14           HG       LEU  14   4.104  12.403   8.068
  110   1HD1  LEU  14          HD11      LEU  14   5.390  14.910   9.183
  111   2HD1  LEU  14          HD12      LEU  14   4.137  14.852   7.942
  112   3HD1  LEU  14          HD13      LEU  14   5.742  14.195   7.613
  113   1HD2  LEU  14          HD21      LEU  14   5.976  12.516  10.442
  114   2HD2  LEU  14          HD22      LEU  14   6.609  12.364   8.808
  115   3HD2  LEU  14          HD23      LEU  14   5.528  11.134   9.440
  116    H    LYS  15           HN       LYS  15   0.583  12.120   9.905
  117    HA   LYS  15           HA       LYS  15  -0.400  13.234  12.275
  118   1HB   LYS  15          HB2       LYS  15  -1.805  11.703  10.078
  119   2HB   LYS  15          HB1       LYS  15  -2.656  12.513  11.394
  120   1HG   LYS  15          HG2       LYS  15  -1.619  14.661  10.739
  121   2HG   LYS  15          HG1       LYS  15  -0.782  13.849   9.414
  122   1HD   LYS  15          HD2       LYS  15  -2.967  13.189   8.452
  123   2HD   LYS  15          HD1       LYS  15  -3.790  14.036   9.761
  124   1HE   LYS  15          HE2       LYS  15  -1.860  15.366   7.844
  125   2HE   LYS  15          HE1       LYS  15  -3.608  15.387   7.649
  126   1HZ   LYS  15          HZ1       LYS  15  -3.486  17.221   8.893
  127   2HZ   LYS  15          HZ2       LYS  15  -1.936  16.854   9.484
  128   3HZ   LYS  15          HZ3       LYS  15  -3.311  16.159  10.203
  129    H    GLN  16           HN       GLN  16  -0.161   9.870  11.194
  130    HA   GLN  16           HA       GLN  16  -1.651   8.667  13.260
  131   1HB   GLN  16          HB2       GLN  16  -0.908   7.476  11.223
  132   2HB   GLN  16          HB1       GLN  16   0.755   7.539  11.809
  133   1HG   GLN  16          HG2       GLN  16   0.196   6.189  13.742
  134   2HG   GLN  16          HG1       GLN  16  -1.521   6.265  13.361
  135   1HE2  GLN  16          HE21      GLN  16  -2.061   4.158  12.719
  136   2HE2  GLN  16          HE22      GLN  16  -1.208   3.263  11.556
  137    H    HIS  17           HN       HIS  17   1.547  10.029  13.228
  138    HA   HIS  17           HA       HIS  17   2.453   8.690  15.620
  139   1HB   HIS  17          HB2       HIS  17   3.490  11.231  14.328
  140   2HB   HIS  17          HB1       HIS  17   4.310  10.294  15.560
  141    HD1  HIS  17           HD1      HIS  17   3.234   7.525  14.138
  142    HD2  HIS  17           HD2      HIS  17   5.597  10.519  12.457
  143    HE1  HIS  17           HE1      HIS  17   4.509   6.449  12.232
  144    HE2  HIS  17           HE2      HIS  17   5.956   8.262  11.200
  145    H    ILE  18           HN       ILE  18   1.367  12.039  14.970
  146    HA   ILE  18           HA       ILE  18   1.322  12.732  17.766
  147    HB   ILE  18           HB       ILE  18   0.563  14.876  17.060
  148   1HG1  ILE  18          HG12      ILE  18  -0.430  13.430  14.592
  149   2HG1  ILE  18          HG11      ILE  18  -1.380  14.353  15.741
  150   1HG2  ILE  18          HG21      ILE  18   2.199  15.464  15.416
  151   2HG2  ILE  18          HG22      ILE  18   2.123  13.873  14.655
  152   3HG2  ILE  18          HG23      ILE  18   2.862  14.056  16.239
  153   1HD1  ILE  18          HD11      ILE  18   0.489  15.359  13.604
  154   2HD1  ILE  18          HD12      ILE  18   0.049  16.381  14.979
  155   3HD1  ILE  18          HD13      ILE  18  -1.199  15.782  13.884
  156    H    GLU  19           HN       GLU  19  -1.140  11.890  15.356
  157    HA   GLU  19           HA       GLU  19  -3.375  12.244  17.089
  158   1HB   GLU  19          HB2       GLU  19  -3.133  10.504  14.612
  159   2HB   GLU  19          HB1       GLU  19  -4.633  10.896  15.433
  160   1HG   GLU  19          HG2       GLU  19  -2.766  13.001  14.304
  161   2HG   GLU  19          HG1       GLU  19  -4.153  12.357  13.433
  162    H    MET  20           HN       MET  20  -1.544   9.355  16.095
  163    HA   MET  20           HA       MET  20  -2.922   7.766  18.158
  164   1HB   MET  20          HB2       MET  20  -2.184   7.152  15.544
  165   2HB   MET  20          HB1       MET  20  -0.895   6.391  16.459
  166   1HG   MET  20          HG2       MET  20  -2.534   5.159  17.798
  167   2HG   MET  20          HG1       MET  20  -3.859   5.947  16.941
  168   1HE   MET  20          HE1       MET  20  -4.966   5.004  14.945
  169   2HE   MET  20          HE2       MET  20  -4.057   4.424  13.554
  170   3HE   MET  20          HE3       MET  20  -3.743   6.035  14.190
  171    H    ASN  21           HN       ASN  21  -0.871   5.882  18.536
  172    HA   ASN  21           HA       ASN  21   1.463   7.252  19.597
  173   1HB   ASN  21          HB2       ASN  21  -0.629   6.029  21.411
  174   2HB   ASN  21          HB1       ASN  21   1.007   6.436  21.929
  175   1HD2  ASN  21          HD21      ASN  21   1.637   8.822  21.585
  176   2HD2  ASN  21          HD22      ASN  21   0.416   9.987  21.766
  177    H    GLN  22           HN       GLN  22   0.996   5.177  17.659
  178    HA   GLN  22           HA       GLN  22   1.310   2.574  18.564
  179   1HB   GLN  22          HB2       GLN  22   2.479   3.947  16.137
  180   2HB   GLN  22          HB1       GLN  22   2.505   2.200  16.378
  181   1HG   GLN  22          HG2       GLN  22  -0.028   3.868  16.370
  182   2HG   GLN  22          HG1       GLN  22   0.594   3.026  14.953
  183   1HE2  GLN  22          HE21      GLN  22   0.947   0.563  15.304
  184   2HE2  GLN  22          HE22      GLN  22  -0.194  -0.240  16.272
  185    H    SER  23           HN       SER  23   4.003   4.600  17.394
  186    HA   SER  23           HA       SER  23   5.657   4.005  19.683
  187   1HB   SER  23          HB2       SER  23   6.410   2.765  17.025
  188   2HB   SER  23          HB1       SER  23   7.362   2.721  18.506
  189    HG   SER  23           HG       SER  23   5.776   1.480  19.459
  190    H    GLU  24           HN       GLU  24   5.302   6.412  19.307
  191    HA   GLU  24           HA       GLU  24   7.726   7.473  18.140
  192   1HB   GLU  24          HB2       GLU  24   5.864   7.219  16.267
  193   2HB   GLU  24          HB1       GLU  24   5.189   8.657  17.001
  194   1HG   GLU  24          HG2       GLU  24   6.658   9.457  15.271
  195   2HG   GLU  24          HG1       GLU  24   7.527   9.711  16.784
  196    H    ASP  25           HN       ASP  25   6.068  10.094  17.876
  197    HA   ASP  25           HA       ASP  25   5.424  10.709  20.654
  198   1HB   ASP  25          HB2       ASP  25   7.776  11.982  19.225
  199   2HB   ASP  25          HB1       ASP  25   7.073  12.580  20.731
  200    H    LYS  26           HN       LYS  26   5.425  13.403  20.569
  201    HA   LYS  26           HA       LYS  26   3.203  13.936  18.770
  202   1HB   LYS  26          HB2       LYS  26   3.274  14.710  21.153
  203   2HB   LYS  26          HB1       LYS  26   4.563  15.823  20.715
  204   1HG   LYS  26          HG2       LYS  26   3.075  16.918  19.079
  205   2HG   LYS  26          HG1       LYS  26   1.797  15.762  19.460
  206   1HD   LYS  26          HD2       LYS  26   1.803  16.552  21.811
  207   2HD   LYS  26          HD1       LYS  26   3.056  17.725  21.404
  208   1HE   LYS  26          HE2       LYS  26   0.780  18.732  21.387
  209   2HE   LYS  26          HE1       LYS  26   1.569  18.817  19.817
  210   1HZ   LYS  26          HZ1       LYS  26  -0.880  17.881  20.140
  211   2HZ   LYS  26          HZ2       LYS  26  -0.009  16.437  20.344
  212   3HZ   LYS  26          HZ3       LYS  26   0.155  17.335  18.912
  213    H    ILE  27           HN       ILE  27   5.195  16.675  19.303
  214    HA   ILE  27           HA       ILE  27   5.446  17.201  16.536
  215    HB   ILE  27           HB       ILE  27   5.389  18.941  18.294
  216   1HG1  ILE  27          HG12      ILE  27   7.952  19.051  16.666
  217   2HG1  ILE  27          HG11      ILE  27   6.352  19.306  15.966
  218   1HG2  ILE  27          HG21      ILE  27   6.923  17.655  19.866
  219   2HG2  ILE  27          HG22      ILE  27   7.300  19.368  19.690
  220   3HG2  ILE  27          HG23      ILE  27   8.269  18.164  18.846
  221   1HD1  ILE  27          HD11      ILE  27   7.238  20.930  18.346
  222   2HD1  ILE  27          HD12      ILE  27   6.008  21.278  17.138
  223   3HD1  ILE  27          HD13      ILE  27   7.705  21.379  16.711
  224    H    HIS  28           HN       HIS  28   7.596  15.765  18.924
  225    HA   HIS  28           HA       HIS  28   9.952  15.787  17.339
  226   1HB   HIS  28          HB2       HIS  28   9.909  15.430  19.805
  227   2HB   HIS  28          HB1       HIS  28   9.205  13.841  19.532
  228    HD1  HIS  28           HD1      HIS  28  10.816  11.961  19.070
  229    HD2  HIS  28           HD2      HIS  28  12.582  15.701  18.544
  230    HE1  HIS  28           HE1      HIS  28  13.274  11.537  18.629
  231    HE2  HIS  28           HE2      HIS  28  14.364  13.808  18.306
  232    H    ALA  29           HN       ALA  29   7.180  14.483  16.458
  233    HA   ALA  29           HA       ALA  29   7.909  11.807  15.714
  234   1HB   ALA  29          HB1       ALA  29   5.567  12.443  16.040
  235   2HB   ALA  29          HB2       ALA  29   5.828  11.879  14.396
  236   3HB   ALA  29          HB3       ALA  29   5.683  13.604  14.722
  237    H    MET  30           HN       MET  30   7.720  14.929  14.043
  238    HA   MET  30           HA       MET  30   8.412  13.974  11.482
  239   1HB   MET  30          HB2       MET  30   8.883  16.299  10.941
  240   2HB   MET  30          HB1       MET  30   7.420  16.207  11.912
  241   1HG   MET  30          HG2       MET  30   8.545  17.944  13.019
  242   2HG   MET  30          HG1       MET  30   9.124  16.569  13.939
  243   1HE   MET  30          HE1       MET  30  12.295  18.552  14.042
  244   2HE   MET  30          HE2       MET  30  10.811  18.022  14.829
  245   3HE   MET  30          HE3       MET  30  10.794  19.454  13.804
  246    H    ASN  31           HN       ASN  31  10.391  15.277  14.151
  247    HA   ASN  31           HA       ASN  31  12.846  15.382  12.856
  248   1HB   ASN  31          HB2       ASN  31  12.498  16.161  15.159
  249   2HB   ASN  31          HB1       ASN  31  12.294  14.497  15.698
  250   1HD2  ASN  31          HD21      ASN  31  14.167  13.970  16.838
  251   2HD2  ASN  31          HD22      ASN  31  15.746  14.270  16.293
  252    H    SER  32           HN       SER  32  11.475  12.582  14.619
  253    HA   SER  32           HA       SER  32  13.591  10.807  13.950
  254   1HB   SER  32          HB2       SER  32  12.221  10.128  15.752
  255   2HB   SER  32          HB1       SER  32  10.744  10.450  14.849
  256    HG   SER  32           HG       SER  32  10.880   8.541  13.966
  257    H    TYR  33           HN       TYR  33  10.302  11.093  12.570
  258    HA   TYR  33           HA       TYR  33  10.625   9.225  10.502
  259   1HB   TYR  33          HB2       TYR  33   8.441  10.120  11.202
  260   2HB   TYR  33          HB1       TYR  33   8.884  11.708  10.573
  261    HD1  TYR  33           HD2      TYR  33   9.161  12.079   8.154
  262    HD2  TYR  33           HD1      TYR  33   7.865   8.289   9.701
  263    HE1  TYR  33           HE2      TYR  33   8.447  11.390   5.874
  264    HE2  TYR  33           HE1      TYR  33   7.140   7.604   7.427
  265    HH   TYR  33           HH       TYR  33   7.858   8.307   4.981
  266    H    TYR  34           HN       TYR  34  11.182  12.728  10.564
  267    HA   TYR  34           HA       TYR  34  11.805  13.104   7.853
  268   1HB   TYR  34          HB2       TYR  34  11.400  14.958   9.446
  269   2HB   TYR  34          HB1       TYR  34  12.912  14.577  10.267
  270    HD1  TYR  34           HD2      TYR  34  15.100  14.795   9.001
  271    HD2  TYR  34           HD1      TYR  34  11.367  16.232   7.451
  272    HE1  TYR  34           HE2      TYR  34  16.322  16.161   7.331
  273    HE2  TYR  34           HE1      TYR  34  12.587  17.586   5.763
  274    HH   TYR  34           HH       TYR  34  14.807  18.596   5.485
  275    H    ARG  35           HN       ARG  35  14.043  12.707  10.612
  276    HA   ARG  35           HA       ARG  35  16.381  12.507   9.065
  277   1HB   ARG  35          HB2       ARG  35  16.347  12.948  11.511
  278   2HB   ARG  35          HB1       ARG  35  15.836  11.281  11.781
  279   1HG   ARG  35          HG2       ARG  35  17.898  10.453  10.732
  280   2HG   ARG  35          HG1       ARG  35  18.397  12.106  10.381
  281   1HD   ARG  35          HD2       ARG  35  18.439  12.607  12.785
  282   2HD   ARG  35          HD1       ARG  35  17.924  10.958  13.143
  283    HE   ARG  35           HE       ARG  35  20.576  11.810  12.445
  284   1HH1  ARG  35          HH21      ARG  35  18.277   9.234  12.226
  285   2HH1  ARG  35          HH22      ARG  35  19.477   7.990  12.110
  286   1HH2  ARG  35          HH11      ARG  35  22.152  10.187  12.293
  287   2HH2  ARG  35          HH12      ARG  35  21.672   8.529  12.149
  288    H    SER  36           HN       SER  36  13.911  10.180   9.890
  289    HA   SER  36           HA       SER  36  15.430   7.837   9.286
  290   1HB   SER  36          HB2       SER  36  12.435   8.262   9.258
  291   2HB   SER  36          HB1       SER  36  13.234   6.704   9.141
  292    HG   SER  36           HG       SER  36  13.315   6.753  11.231
  293    H    VAL  37           HN       VAL  37  13.190   9.845   7.384
  294    HA   VAL  37           HA       VAL  37  13.431   8.242   5.018
  295    HB   VAL  37           HB       VAL  37  12.448  11.075   5.487
  296   1HG1  VAL  37          HG11      VAL  37  13.181  11.077   3.201
  297   2HG1  VAL  37          HG12      VAL  37  11.457  10.784   3.135
  298   3HG1  VAL  37          HG13      VAL  37  12.571   9.444   2.933
  299   1HG2  VAL  37          HG21      VAL  37  10.243  10.011   5.009
  300   2HG2  VAL  37          HG22      VAL  37  11.025   9.320   6.431
  301   3HG2  VAL  37          HG23      VAL  37  11.043   8.445   4.898
  302    H    VAL  38           HN       VAL  38  14.747  11.461   5.865
  303    HA   VAL  38           HA       VAL  38  16.320  11.831   3.598
  304    HB   VAL  38           HB       VAL  38  16.890  12.690   6.451
  305   1HG1  VAL  38          HG11      VAL  38  18.943  12.934   5.243
  306   2HG1  VAL  38          HG12      VAL  38  18.208  14.536   5.254
  307   3HG1  VAL  38          HG13      VAL  38  18.114  13.536   3.810
  308   1HG2  VAL  38          HG21      VAL  38  14.945  13.895   6.058
  309   2HG2  VAL  38          HG22      VAL  38  15.032  13.695   4.320
  310   3HG2  VAL  38          HG23      VAL  38  15.990  14.944   5.107
  311    H    SER  39           HN       SER  39  17.198  10.196   6.652
  312    HA   SER  39           HA       SER  39  19.851   9.577   5.880
  313   1HB   SER  39          HB2       SER  39  18.041   8.140   7.836
  314   2HB   SER  39          HB1       SER  39  19.782   7.923   7.707
  315    HG   SER  39           HG       SER  39  20.056  10.071   8.293
  316    H    THR  40           HN       THR  40  16.794   8.224   5.027
  317    HA   THR  40           HA       THR  40  17.921   5.672   4.123
  318    HB   THR  40           HB       THR  40  15.122   6.797   3.819
  319    HG1  THR  40           HG1      THR  40  16.005   4.716   5.501
  320   1HG2  THR  40          HG21      THR  40  16.363   4.107   3.178
  321   2HG2  THR  40          HG22      THR  40  15.459   5.170   2.098
  322   3HG2  THR  40          HG23      THR  40  14.625   4.327   3.404
  323    H    LEU  41           HN       LEU  41  16.374   8.513   2.636
  324    HA   LEU  41           HA       LEU  41  16.762   7.650  -0.045
  325   1HB   LEU  41          HB2       LEU  41  16.402  10.456   1.047
  326   2HB   LEU  41          HB1       LEU  41  16.208   9.982  -0.636
  327    HG   LEU  41           HG       LEU  41  14.547   8.973   1.696
  328   1HD1  LEU  41          HD11      LEU  41  13.807  10.802  -0.604
  329   2HD1  LEU  41          HD12      LEU  41  14.147  11.345   1.034
  330   3HD1  LEU  41          HD13      LEU  41  12.751  10.315   0.716
  331   1HD2  LEU  41          HD21      LEU  41  14.478   7.186   0.156
  332   2HD2  LEU  41          HD22      LEU  41  14.578   8.251  -1.247
  333   3HD2  LEU  41          HD23      LEU  41  13.080   8.137  -0.322
  334    H    VAL  42           HN       VAL  42  18.626   9.790   2.074
  335    HA   VAL  42           HA       VAL  42  20.665  10.255   0.061
  336    HB   VAL  42           HB       VAL  42  20.667  10.943   3.014
  337   1HG1  VAL  42          HG11      VAL  42  22.909  11.333   2.438
  338   2HG1  VAL  42          HG12      VAL  42  22.235  12.849   1.860
  339   3HG1  VAL  42          HG13      VAL  42  22.549  11.541   0.723
  340   1HG2  VAL  42          HG21      VAL  42  18.752  11.912   1.831
  341   2HG2  VAL  42          HG22      VAL  42  19.821  12.533   0.572
  342   3HG2  VAL  42          HG23      VAL  42  19.923  13.174   2.210
  343    H    GLN  43           HN       GLN  43  20.056   7.486   1.024
  344    HA   GLN  43           HA       GLN  43  22.834   6.692   1.580
  345   1HB   GLN  43          HB2       GLN  43  21.731   6.769   3.754
  346   2HB   GLN  43          HB1       GLN  43  20.440   5.727   3.154
  347   1HG   GLN  43          HG2       GLN  43  21.919   3.857   2.944
  348   2HG   GLN  43          HG1       GLN  43  23.350   4.869   3.121
  349   1HE2  GLN  43          HE21      GLN  43  23.018   2.624   4.765
  350   2HE2  GLN  43          HE22      GLN  43  22.690   3.128   6.352
  351    H    ASP  44           HN       ASP  44  20.225   6.468  -0.374
  352    HA   ASP  44           HA       ASP  44  21.164   3.925  -1.506
  353   1HB   ASP  44          HB2       ASP  44  19.259   3.409   0.071
  354   2HB   ASP  44          HB1       ASP  44  18.225   4.422  -0.934
  355    H    GLN  45           HN       GLN  45  20.121   3.526  -3.639
  356    HA   GLN  45           HA       GLN  45  19.626   4.196  -5.783
  357   1HB   GLN  45          HB2       GLN  45  17.571   5.145  -4.815
  358   2HB   GLN  45          HB1       GLN  45  18.417   6.630  -4.417
  359   1HG   GLN  45          HG2       GLN  45  18.819   7.131  -6.727
  360   2HG   GLN  45          HG1       GLN  45  18.182   5.562  -7.227
  361   1HE2  GLN  45          HE21      GLN  45  16.185   5.971  -8.211
  362   2HE2  GLN  45          HE22      GLN  45  14.986   6.988  -7.572
  363    H    LEU  46           HN       LEU  46  20.467   7.226  -4.085
  364    HA   LEU  46           HA       LEU  46  21.863   8.950  -4.781
  365   1HB   LEU  46          HB2       LEU  46  23.614   6.490  -4.878
  366   2HB   LEU  46          HB1       LEU  46  24.250   8.133  -4.910
  367    HG   LEU  46           HG       LEU  46  22.357   7.308  -2.687
  368   1HD1  LEU  46          HD11      LEU  46  24.387   6.707  -1.320
  369   2HD1  LEU  46          HD12      LEU  46  25.343   6.774  -2.802
  370   3HD1  LEU  46          HD13      LEU  46  24.063   5.575  -2.634
  371   1HD2  LEU  46          HD21      LEU  46  24.698   9.244  -2.812
  372   2HD2  LEU  46          HD22      LEU  46  23.651   8.993  -1.417
  373   3HD2  LEU  46          HD23      LEU  46  22.998   9.700  -2.889
  374    H    THR  47           HN       THR  47  20.313   8.427  -6.912
  375    HA   THR  47           HA       THR  47  21.842   7.722  -9.255
  376    HB   THR  47           HB       THR  47  19.451   7.224  -9.119
  377    HG1  THR  47           HG1      THR  47  20.382   7.647 -11.155
  378   1HG2  THR  47          HG21      THR  47  17.793   8.950  -9.076
  379   2HG2  THR  47          HG22      THR  47  19.013  10.209  -9.243
  380   3HG2  THR  47          HG23      THR  47  18.903   9.286  -7.748
  381    H    LYS  48           HN       LYS  48  20.925  10.630  -7.588
  382    HA   LYS  48           HA       LYS  48  22.894  12.194  -8.887
  383   1HB   LYS  48          HB2       LYS  48  21.239  12.032 -10.761
  384   2HB   LYS  48          HB1       LYS  48  20.055  12.803  -9.721
  385   1HG   LYS  48          HG2       LYS  48  21.442  14.785  -9.534
  386   2HG   LYS  48          HG1       LYS  48  22.725  14.009 -10.457
  387   1HD   LYS  48          HD2       LYS  48  21.210  13.838 -12.397
  388   2HD   LYS  48          HD1       LYS  48  19.940  14.638 -11.466
  389   1HE   LYS  48          HE2       LYS  48  21.380  16.614 -11.186
  390   2HE   LYS  48          HE1       LYS  48  22.650  15.818 -12.113
  391   1HZ   LYS  48          HZ1       LYS  48  20.064  15.866 -13.401
  392   2HZ   LYS  48          HZ2       LYS  48  21.604  16.186 -14.042
  393   3HZ   LYS  48          HZ3       LYS  48  20.768  17.395 -13.188
  394    H    ASN  49           HN       ASN  49  23.368  13.874  -7.594
  395    HA   ASN  49           HA       ASN  49  22.276  14.223  -5.089
  396   1HB   ASN  49          HB2       ASN  49  23.638  16.287  -6.828
  397   2HB   ASN  49          HB1       ASN  49  23.352  16.472  -5.098
  398   1HD2  ASN  49          HD21      ASN  49  24.322  13.459  -6.782
  399   2HD2  ASN  49          HD22      ASN  49  25.809  13.311  -5.982
  400    H    ALA  50           HN       ALA  50  21.413  15.863  -8.086
  401    HA   ALA  50           HA       ALA  50  19.582  17.711  -6.985
  402   1HB   ALA  50          HB1       ALA  50  20.499  17.834  -9.300
  403   2HB   ALA  50          HB2       ALA  50  18.742  17.975  -9.245
  404   3HB   ALA  50          HB3       ALA  50  19.489  16.454  -9.736
  405    H    VAL  51           HN       VAL  51  19.074  14.481  -8.399
  406    HA   VAL  51           HA       VAL  51  16.287  14.395  -8.117
  407    HB   VAL  51           HB       VAL  51  18.380  12.211  -8.105
  408   1HG1  VAL  51          HG11      VAL  51  16.314  10.712  -8.656
  409   2HG1  VAL  51          HG12      VAL  51  15.359  12.000  -7.936
  410   3HG1  VAL  51          HG13      VAL  51  16.573  11.156  -6.971
  411   1HG2  VAL  51          HG21      VAL  51  16.322  12.871 -10.236
  412   2HG2  VAL  51          HG22      VAL  51  17.782  11.896 -10.399
  413   3HG2  VAL  51          HG23      VAL  51  17.907  13.643 -10.200
  414    H    VAL  52           HN       VAL  52  18.840  13.306  -5.878
  415    HA   VAL  52           HA       VAL  52  17.027  12.440  -3.861
  416    HB   VAL  52           HB       VAL  52  19.905  13.329  -3.501
  417   1HG1  VAL  52          HG11      VAL  52  18.073  11.549  -1.902
  418   2HG1  VAL  52          HG12      VAL  52  18.741  13.109  -1.420
  419   3HG1  VAL  52          HG13      VAL  52  19.805  11.717  -1.630
  420   1HG2  VAL  52          HG21      VAL  52  20.486  10.984  -3.900
  421   2HG2  VAL  52          HG22      VAL  52  19.628  11.613  -5.303
  422   3HG2  VAL  52          HG23      VAL  52  18.788  10.580  -4.147
  423    H    LEU  53           HN       LEU  53  18.791  15.456  -4.421
  424    HA   LEU  53           HA       LEU  53  18.131  16.741  -2.010
  425   1HB   LEU  53          HB2       LEU  53  19.854  17.590  -3.552
  426   2HB   LEU  53          HB1       LEU  53  18.613  17.971  -4.740
  427    HG   LEU  53           HG       LEU  53  17.589  19.584  -3.124
  428   1HD1  LEU  53          HD11      LEU  53  19.844  18.599  -1.365
  429   2HD1  LEU  53          HD12      LEU  53  18.147  18.859  -0.960
  430   3HD1  LEU  53          HD13      LEU  53  19.218  20.237  -1.166
  431   1HD2  LEU  53          HD21      LEU  53  19.189  20.388  -4.780
  432   2HD2  LEU  53          HD22      LEU  53  20.535  19.987  -3.713
  433   3HD2  LEU  53          HD23      LEU  53  19.409  21.269  -3.269
  434    H    LYS  54           HN       LYS  54  16.457  16.658  -5.132
  435    HA   LYS  54           HA       LYS  54  14.454  18.513  -4.609
  436   1HB   LYS  54          HB2       LYS  54  13.550  17.788  -6.609
  437   2HB   LYS  54          HB1       LYS  54  15.012  16.818  -6.714
  438   1HG   LYS  54          HG2       LYS  54  13.756  14.958  -5.571
  439   2HG   LYS  54          HG1       LYS  54  12.296  15.902  -5.686
  440   1HD   LYS  54          HD2       LYS  54  14.020  15.047  -8.013
  441   2HD   LYS  54          HD1       LYS  54  12.531  14.250  -7.509
  442   1HE   LYS  54          HE2       LYS  54  12.873  16.974  -8.768
  443   2HE   LYS  54          HE1       LYS  54  11.750  15.690  -9.207
  444   1HZ   LYS  54          HZ1       LYS  54  11.621  17.511  -6.878
  445   2HZ   LYS  54          HZ2       LYS  54  10.687  16.096  -6.977
  446   3HZ   LYS  54          HZ3       LYS  54  10.489  17.331  -8.128
  447    H    ARG  55           HN       ARG  55  14.698  15.139  -3.619
  448    HA   ARG  55           HA       ARG  55  12.051  14.918  -2.614
  449   1HB   ARG  55          HB2       ARG  55  14.556  13.357  -1.912
  450   2HB   ARG  55          HB1       ARG  55  12.921  12.917  -1.414
  451   1HG   ARG  55          HG2       ARG  55  12.291  12.920  -3.893
  452   2HG   ARG  55          HG1       ARG  55  14.013  13.064  -4.235
  453   1HD   ARG  55          HD2       ARG  55  13.441  10.736  -4.359
  454   2HD   ARG  55          HD1       ARG  55  14.387  10.979  -2.895
  455    HE   ARG  55           HE       ARG  55  11.745  11.271  -2.120
  456   1HH1  ARG  55          HH21      ARG  55  13.689   8.852  -3.651
  457   2HH1  ARG  55          HH22      ARG  55  12.775   7.523  -3.018
  458   1HH2  ARG  55          HH11      ARG  55  10.544   9.536  -1.288
  459   2HH2  ARG  55          HH12      ARG  55  10.994   7.911  -1.681
  460    H    ILE  56           HN       ILE  56  15.147  15.808  -1.155
  461    HA   ILE  56           HA       ILE  56  14.235  15.964   1.513
  462    HB   ILE  56           HB       ILE  56  16.413  17.602   0.198
  463   1HG1  ILE  56          HG12      ILE  56  16.840  15.286  -0.311
  464   2HG1  ILE  56          HG11      ILE  56  17.940  15.757   0.959
  465   1HG2  ILE  56          HG21      ILE  56  15.918  16.740   3.052
  466   2HG2  ILE  56          HG22      ILE  56  15.887  18.384   2.416
  467   3HG2  ILE  56          HG23      ILE  56  17.408  17.496   2.484
  468   1HD1  ILE  56          HD11      ILE  56  16.160  14.774   2.569
  469   2HD1  ILE  56          HD12      ILE  56  17.140  13.650   1.640
  470   3HD1  ILE  56          HD13      ILE  56  15.495  13.998   1.133
  471    H    GLN  57           HN       GLN  57  14.609  18.522  -0.960
  472    HA   GLN  57           HA       GLN  57  13.668  20.668   0.546
  473   1HB   GLN  57          HB2       GLN  57  13.414  20.105  -2.424
  474   2HB   GLN  57          HB1       GLN  57  13.045  21.663  -1.688
  475   1HG   GLN  57          HG2       GLN  57  15.730  20.272  -1.439
  476   2HG   GLN  57          HG1       GLN  57  15.373  21.508  -2.644
  477   1HE2  GLN  57          HE21      GLN  57  17.132  21.396  -0.025
  478   2HE2  GLN  57          HE22      GLN  57  16.719  22.845   0.755
  479    H    HIS  58           HN       HIS  58  11.860  18.335  -1.430
  480    HA   HIS  58           HA       HIS  58   9.306  19.509  -0.990
  481   1HB   HIS  58          HB2       HIS  58  10.095  16.684  -1.767
  482   2HB   HIS  58          HB1       HIS  58   8.445  17.309  -1.799
  483    HD1  HIS  58           HD1      HIS  58   9.501  20.220  -2.806
  484    HD2  HIS  58           HD2      HIS  58  10.148  16.536  -4.649
  485    HE1  HIS  58           HE1      HIS  58  10.003  20.715  -5.238
  486    HE2  HIS  58           HE2      HIS  58  10.399  18.479  -6.376
  487    H    LEU  59           HN       LEU  59  11.225  17.087   0.695
  488    HA   LEU  59           HA       LEU  59   9.229  16.043   2.346
  489   1HB   LEU  59          HB2       LEU  59  11.792  15.411   2.040
  490   2HB   LEU  59          HB1       LEU  59  12.022  16.458   3.420
  491    HG   LEU  59           HG       LEU  59  11.797  14.162   4.172
  492   1HD1  LEU  59          HD11      LEU  59  10.298  14.503   5.903
  493   2HD1  LEU  59          HD12      LEU  59   9.121  15.305   4.873
  494   3HD1  LEU  59          HD13      LEU  59  10.572  16.156   5.368
  495   1HD2  LEU  59          HD21      LEU  59   8.949  13.877   3.269
  496   2HD2  LEU  59          HD22      LEU  59  10.189  12.661   3.506
  497   3HD2  LEU  59          HD23      LEU  59  10.204  13.637   2.048
  498    H    ASP  60           HN       ASP  60  11.202  18.955   2.726
  499    HA   ASP  60           HA       ASP  60  10.567  19.667   5.329
  500   1HB   ASP  60          HB2       ASP  60  10.943  21.434   2.892
  501   2HB   ASP  60          HB1       ASP  60  10.850  22.051   4.542
  502    H    GLU  61           HN       GLU  61   8.546  19.680   2.500
  503    HA   GLU  61           HA       GLU  61   6.540  21.471   3.368
  504   1HB   GLU  61          HB2       GLU  61   5.345  20.780   1.478
  505   2HB   GLU  61          HB1       GLU  61   6.978  20.304   1.029
  506   1HG   GLU  61          HG2       GLU  61   6.368  17.977   2.051
  507   2HG   GLU  61          HG1       GLU  61   4.708  18.537   2.003
  508    H    ALA  62           HN       ALA  62   7.040  18.026   3.924
  509    HA   ALA  62           HA       ALA  62   4.517  17.604   5.195
  510   1HB   ALA  62          HB1       ALA  62   5.309  15.393   5.644
  511   2HB   ALA  62          HB2       ALA  62   6.982  15.897   5.529
  512   3HB   ALA  62          HB3       ALA  62   5.987  15.831   4.080
  513    H    TYR  63           HN       TYR  63   7.848  17.826   6.434
  514    HA   TYR  63           HA       TYR  63   7.350  17.595   9.115
  515   1HB   TYR  63          HB2       TYR  63   9.637  17.816   8.983
  516   2HB   TYR  63          HB1       TYR  63   9.514  18.636   7.432
  517    HD1  TYR  63           HD1      TYR  63   9.274  19.145  11.106
  518    HD2  TYR  63           HD2      TYR  63   9.798  21.023   7.289
  519    HE1  TYR  63           HE1      TYR  63   9.779  21.288  12.240
  520    HE2  TYR  63           HE2      TYR  63  10.292  23.175   8.416
  521    HH   TYR  63           HH       TYR  63   9.714  24.220  10.705
  522    H    ASN  64           HN       ASN  64   7.099  20.473   7.064
  523    HA   ASN  64           HA       ASN  64   6.559  22.359   9.095
  524   1HB   ASN  64          HB2       ASN  64   7.258  22.982   6.819
  525   2HB   ASN  64          HB1       ASN  64   5.731  22.373   6.180
  526   1HD2  ASN  64          HD21      ASN  64   7.235  25.202   7.162
  527   2HD2  ASN  64          HD22      ASN  64   5.855  26.116   7.542
  528    H    LYS  65           HN       LYS  65   4.569  20.064   7.374
  529    HA   LYS  65           HA       LYS  65   2.051  21.179   7.972
  530   1HB   LYS  65          HB2       LYS  65   2.650  19.262   6.323
  531   2HB   LYS  65          HB1       LYS  65   2.571  18.204   7.726
  532   1HG   LYS  65          HG2       LYS  65   0.338  18.067   7.037
  533   2HG   LYS  65          HG1       LYS  65   0.207  19.450   8.106
  534   1HD   LYS  65          HD2       LYS  65   0.526  20.957   6.133
  535   2HD   LYS  65          HD1       LYS  65   0.547  19.534   5.090
  536   1HE   LYS  65          HE2       LYS  65  -1.705  20.454   5.107
  537   2HE   LYS  65          HE1       LYS  65  -1.712  18.914   5.970
  538   1HZ   LYS  65          HZ1       LYS  65  -2.903  20.672   7.169
  539   2HZ   LYS  65          HZ2       LYS  65  -1.470  21.580   7.256
  540   3HZ   LYS  65          HZ3       LYS  65  -1.580  20.083   8.051
  541    H    VAL  66           HN       VAL  66   4.191  19.015   9.751
  542    HA   VAL  66           HA       VAL  66   2.349  18.290  11.768
  543    HB   VAL  66           HB       VAL  66   5.375  18.354  11.845
  544   1HG1  VAL  66          HG11      VAL  66   4.517  18.240  14.110
  545   2HG1  VAL  66          HG12      VAL  66   5.037  16.623  13.644
  546   3HG1  VAL  66          HG13      VAL  66   3.322  17.031  13.641
  547   1HG2  VAL  66          HG21      VAL  66   3.374  16.175  11.178
  548   2HG2  VAL  66          HG22      VAL  66   5.111  15.930  11.342
  549   3HG2  VAL  66          HG23      VAL  66   4.483  16.951  10.049
  550    H    LYS  67           HN       LYS  67   4.764  20.824  11.531
  551    HA   LYS  67           HA       LYS  67   4.543  21.885  14.105
  552   1HB   LYS  67          HB2       LYS  67   5.240  23.175  11.483
  553   2HB   LYS  67          HB1       LYS  67   5.602  23.823  13.074
  554   1HG   LYS  67          HG2       LYS  67   6.492  20.985  12.480
  555   2HG   LYS  67          HG1       LYS  67   7.371  22.272  11.760
  556   1HD   LYS  67          HD2       LYS  67   6.799  22.290  14.729
  557   2HD   LYS  67          HD1       LYS  67   8.148  21.354  14.095
  558   1HE   LYS  67          HE2       LYS  67   9.150  23.401  13.148
  559   2HE   LYS  67          HE1       LYS  67   7.784  24.359  13.700
  560   1HZ   LYS  67          HZ1       LYS  67   8.493  24.322  15.819
  561   2HZ   LYS  67          HZ2       LYS  67  10.010  24.026  15.113
  562   3HZ   LYS  67          HZ3       LYS  67   9.087  22.736  15.723
  563    H    ARG  68           HN       ARG  68   2.967  22.725  11.051
  564    HA   ARG  68           HA       ARG  68   1.407  24.849  12.138
  565   1HB   ARG  68          HB2       ARG  68   2.084  24.548   9.701
  566   2HB   ARG  68          HB1       ARG  68   0.840  23.305   9.596
  567   1HG   ARG  68          HG2       ARG  68  -0.874  24.925  10.241
  568   2HG   ARG  68          HG1       ARG  68   0.352  26.167  10.466
  569   1HD   ARG  68          HD2       ARG  68  -0.690  26.484   8.302
  570   2HD   ARG  68          HD1       ARG  68   0.965  25.934   8.063
  571    HE   ARG  68           HE       ARG  68  -0.826  23.717   8.119
  572   1HH1  ARG  68          HH21      ARG  68   0.223  26.402   6.204
  573   2HH1  ARG  68          HH22      ARG  68  -0.118  25.632   4.690
  574   1HH2  ARG  68          HH11      ARG  68  -1.268  22.698   6.136
  575   2HH2  ARG  68          HH12      ARG  68  -0.962  23.536   4.651
  576    H    GLY  69           HN       GLY  69   1.196  21.481  12.339
  577   1HA   GLY  69          HA2       GLY  69  -1.740  21.390  12.618
  578   2HA   GLY  69          HA1       GLY  69  -0.636  20.020  12.624
  579    H    GLU  70           HN       GLU  70   1.198  21.170  14.523
  580    HA   GLU  70           HA       GLU  70  -0.262  20.531  16.979
  581   1HB   GLU  70          HB2       GLU  70   1.893  20.154  17.927
  582   2HB   GLU  70          HB1       GLU  70   1.937  19.488  16.303
  583   1HG   GLU  70          HG2       GLU  70   3.920  20.697  16.305
  584   2HG   GLU  70          HG1       GLU  70   2.809  21.873  15.652
  585    H    SER  71           HN       SER  71   1.403  23.208  15.437
  586    HA   SER  71           HA       SER  71   0.290  25.057  17.459
  587   1HB   SER  71          HB2       SER  71   2.470  26.302  17.448
  588   2HB   SER  71          HB1       SER  71   2.547  24.725  18.221
  589    HG   SER  71           HG       SER  71   3.774  25.648  15.954
  590    H    LYS  72           HN       LYS  72   0.491  27.343  16.729
  591    HA   LYS  72           HA       LYS  72   0.017  27.540  13.790
  592   1HB   LYS  72          HB2       LYS  72  -0.990  29.245  16.079
  593   2HB   LYS  72          HB1       LYS  72  -1.280  29.572  14.369
  594   1HG   LYS  72          HG2       LYS  72  -2.376  27.366  14.139
  595   2HG   LYS  72          HG1       LYS  72  -2.110  27.063  15.855
  596   1HD   LYS  72          HD2       LYS  72  -3.466  29.038  16.423
  597   2HD   LYS  72          HD1       LYS  72  -3.734  29.349  14.707
  598   1HE   LYS  72          HE2       LYS  72  -4.837  27.156  14.477
  599   2HE   LYS  72          HE1       LYS  72  -4.570  26.842  16.193
  600   1HZ   LYS  72          HZ1       LYS  72  -5.977  29.276  15.310
  601   2HZ   LYS  72          HZ2       LYS  72  -6.045  28.489  16.814
  602   3HZ   LYS  72          HZ3       LYS  72  -6.812  27.808  15.459
  603    H    LEU  73           HN       LEU  73   2.144  28.407  16.296
  604    HA   LEU  73           HA       LEU  73   3.924  29.811  16.436
  605   1HB   LEU  73          HB2       LEU  73   4.234  28.446  14.165
  606   2HB   LEU  73          HB1       LEU  73   4.047  30.026  13.425
  607    HG   LEU  73           HG       LEU  73   6.079  29.291  15.558
  608   1HD1  LEU  73          HD11      LEU  73   6.455  29.942  12.617
  609   2HD1  LEU  73          HD12      LEU  73   6.490  28.313  13.294
  610   3HD1  LEU  73          HD13      LEU  73   7.721  29.487  13.756
  611   1HD2  LEU  73          HD21      LEU  73   7.052  31.562  14.913
  612   2HD2  LEU  73          HD22      LEU  73   5.540  31.621  15.810
  613   3HD2  LEU  73          HD23      LEU  73   5.538  31.878  14.065
  614    H    GLU  74           HN       GLU  74   2.141  31.288  17.209
  615    HA   GLU  74           HA       GLU  74   1.444  33.515  15.465
  616   1HB   GLU  74          HB2       GLU  74   0.937  32.982  18.402
  617   2HB   GLU  74          HB1       GLU  74   0.345  34.399  17.536
  618   1HG   GLU  74          HG2       GLU  74  -0.887  32.942  15.976
  619   2HG   GLU  74          HG1       GLU  74  -0.282  31.518  16.822
  620    H    HIS  75           HN       HIS  75   2.464  33.946  18.788
  621    HA   HIS  75           HA       HIS  75   4.966  35.257  18.031
  622   1HB   HIS  75          HB2       HIS  75   3.176  37.001  17.749
  623   2HB   HIS  75          HB1       HIS  75   2.798  36.819  19.461
  624    HD1  HIS  75           HD1      HIS  75   5.747  37.705  17.224
  625    HD2  HIS  75           HD2      HIS  75   4.448  38.306  21.138
  626    HE1  HIS  75           HE1      HIS  75   7.397  39.306  18.288
  627    HE2  HIS  75           HE2      HIS  75   6.618  39.682  20.675
  628    H    HIS  76           HN       HIS  76   6.391  35.508  19.733
  629    HA   HIS  76           HA       HIS  76   5.551  34.758  22.454
  630   1HB   HIS  76          HB2       HIS  76   7.679  33.264  20.899
  631   2HB   HIS  76          HB1       HIS  76   7.353  33.072  22.621
  632    HD1  HIS  76           HD1      HIS  76   5.922  32.334  19.232
  633    HD2  HIS  76           HD2      HIS  76   4.952  31.656  23.230
  634    HE1  HIS  76           HE1      HIS  76   4.017  30.665  19.233
  635    HE2  HIS  76           HE2      HIS  76   3.415  30.241  21.663
  636    H    HIS  77           HN       HIS  77   7.923  36.047  20.221
  637    HA   HIS  77           HA       HIS  77   9.898  36.773  22.120
  638   1HB   HIS  77          HB2       HIS  77   9.226  38.012  19.439
  639   2HB   HIS  77          HB1       HIS  77  10.697  38.324  20.362
  640    HD1  HIS  77           HD1      HIS  77  12.148  36.061  20.926
  641    HD2  HIS  77           HD2      HIS  77   9.423  35.801  17.783
  642    HE1  HIS  77           HE1      HIS  77  12.816  34.032  19.565
  643    HE2  HIS  77           HE2      HIS  77  11.164  33.860  17.645
  644    H    HIS  78           HN       HIS  78   8.756  37.661  23.896
  645    HA   HIS  78           HA       HIS  78   6.949  39.791  23.803
  646   1HB   HIS  78          HB2       HIS  78   8.968  39.111  25.955
  647   2HB   HIS  78          HB1       HIS  78   7.587  40.189  26.158
  648    HD1  HIS  78           HD1      HIS  78   5.175  38.989  25.524
  649    HD2  HIS  78           HD2      HIS  78   8.351  36.470  26.495
  650    HE1  HIS  78           HE1      HIS  78   4.157  36.745  26.107
  651    HE2  HIS  78           HE2      HIS  78   6.080  35.198  26.701
  652    H    HIS  79           HN       HIS  79  10.251  40.192  25.048
  653    HA   HIS  79           HA       HIS  79  10.795  42.425  23.248
  654   1HB   HIS  79          HB2       HIS  79  10.473  42.838  26.234
  655   2HB   HIS  79          HB1       HIS  79  11.171  44.016  25.123
  656    HD1  HIS  79           HD1      HIS  79   7.920  42.490  26.163
  657    HD2  HIS  79           HD2      HIS  79   9.286  45.221  23.324
  658    HE1  HIS  79           HE1      HIS  79   5.865  43.632  25.220
  659    HE2  HIS  79           HE2      HIS  79   6.681  45.300  23.487
  660    H    HIS  80           HN       HIS  80  11.802  40.813  26.272
  661    HA   HIS  80           HA       HIS  80  14.553  41.436  26.003
  662   1HB   HIS  80          HB2       HIS  80  13.493  40.716  28.131
  663   2HB   HIS  80          HB1       HIS  80  13.286  39.099  27.457
  664    HD1  HIS  80           HD1      HIS  80  16.076  41.579  28.215
  665    HD2  HIS  80           HD2      HIS  80  15.521  37.474  27.747
  666    HE1  HIS  80           HE1      HIS  80  18.285  40.486  28.800
  667    HE2  HIS  80           HE2      HIS  80  17.962  37.983  28.519
  668   1H    MET   1          HT1       MET   1  44.138  30.632   3.966
  669   2H    MET   1          HT2       MET   1  44.262  29.125   4.740
  670   3H    MET   1          HT3       MET   1  45.202  30.436   5.272
  671    HA   MET   1           HA       MET   1  43.590  31.243   6.551
  672   1HB   MET   1          HB2       MET   1  41.751  30.569   4.234
  673   2HB   MET   1          HB1       MET   1  41.226  31.391   5.704
  674   1HG   MET   1          HG2       MET   1  42.872  33.189   5.281
  675   2HG   MET   1          HG1       MET   1  43.368  32.375   3.797
  676   1HE   MET   1          HE1       MET   1  41.509  35.433   2.430
  677   2HE   MET   1          HE2       MET   1  42.785  34.279   2.048
  678   3HE   MET   1          HE3       MET   1  42.806  35.125   3.593
  679    H    SER   2           HN       SER   2  44.058  29.517   7.970
  680    HA   SER   2           HA       SER   2  42.839  26.951   7.759
  681   1HB   SER   2          HB2       SER   2  44.092  28.380  10.117
  682   2HB   SER   2          HB1       SER   2  43.601  26.688  10.124
  683    HG   SER   2           HG       SER   2  45.781  27.900   8.990
  684    H    GLU   3           HN       GLU   3  42.326  28.001  10.892
  685    HA   GLU   3           HA       GLU   3  40.438  28.254  12.174
  686   1HB   GLU   3          HB2       GLU   3  39.555  29.812   9.727
  687   2HB   GLU   3          HB1       GLU   3  38.674  29.783  11.249
  688   1HG   GLU   3          HG2       GLU   3  40.597  30.717  12.425
  689   2HG   GLU   3          HG1       GLU   3  41.560  30.661  10.949
  690    H    LEU   4           HN       LEU   4  38.839  26.881  12.692
  691    HA   LEU   4           HA       LEU   4  37.377  25.113  12.505
  692   1HB   LEU   4          HB2       LEU   4  36.614  26.912  10.201
  693   2HB   LEU   4          HB1       LEU   4  35.767  25.386  10.440
  694    HG   LEU   4           HG       LEU   4  35.164  26.063  12.726
  695   1HD1  LEU   4          HD11      LEU   4  36.744  28.554  12.018
  696   2HD1  LEU   4          HD12      LEU   4  36.982  27.469  13.389
  697   3HD1  LEU   4          HD13      LEU   4  35.570  28.517  13.335
  698   1HD2  LEU   4          HD21      LEU   4  33.591  27.862  12.099
  699   2HD2  LEU   4          HD22      LEU   4  33.675  26.628  10.841
  700   3HD2  LEU   4          HD23      LEU   4  34.520  28.160  10.629
  701    H    PHE   5           HN       PHE   5  40.031  25.256  10.795
  702    HA   PHE   5           HA       PHE   5  39.700  23.588   8.558
  703   1HB   PHE   5          HB2       PHE   5  41.749  24.898   9.030
  704   2HB   PHE   5          HB1       PHE   5  42.111  23.820  10.377
  705    HD1  PHE   5           HD2      PHE   5  41.721  24.030   6.695
  706    HD2  PHE   5           HD1      PHE   5  43.012  21.600   9.993
  707    HE1  PHE   5           HE2      PHE   5  42.781  22.443   5.111
  708    HE2  PHE   5           HE1      PHE   5  44.072  20.013   8.410
  709    HZ   PHE   5           HZ       PHE   5  43.957  20.435   5.969
  710    H    SER   6           HN       SER   6  40.513  22.825  11.930
  711    HA   SER   6           HA       SER   6  40.629  19.987  11.476
  712   1HB   SER   6          HB2       SER   6  41.386  19.909  13.671
  713   2HB   SER   6          HB1       SER   6  41.615  21.627  13.401
  714    HG   SER   6           HG       SER   6  39.399  20.338  14.617
  715    H    VAL   7           HN       VAL   7  39.023  18.515  11.599
  716    HA   VAL   7           HA       VAL   7  36.313  19.362  11.659
  717    HB   VAL   7           HB       VAL   7  37.352  16.527  11.988
  718   1HG1  VAL   7          HG11      VAL   7  34.691  17.671  11.177
  719   2HG1  VAL   7          HG12      VAL   7  35.041  16.700  12.604
  720   3HG1  VAL   7          HG13      VAL   7  35.135  15.977  11.002
  721   1HG2  VAL   7          HG21      VAL   7  36.561  18.009   9.470
  722   2HG2  VAL   7          HG22      VAL   7  37.130  16.343   9.576
  723   3HG2  VAL   7          HG23      VAL   7  38.226  17.671   9.947
  724    HA   PRO   8           HA       PRO   8  36.551  17.267  16.125
  725   1HB   PRO   8          HB2       PRO   8  39.133  18.668  16.838
  726   2HB   PRO   8          HB1       PRO   8  38.496  17.122  17.444
  727   1HG   PRO   8          HG2       PRO   8  40.425  17.120  15.642
  728   2HG   PRO   8          HG1       PRO   8  39.069  15.983  15.477
  729   1HD   PRO   8          HD2       PRO   8  39.558  18.543  13.996
  730   2HD   PRO   8          HD1       PRO   8  38.954  17.010  13.383
  731    H    TYR   9           HN       TYR   9  37.187  20.385  14.826
  732    HA   TYR   9           HA       TYR   9  36.592  21.952  17.156
  733   1HB   TYR   9          HB2       TYR   9  37.906  22.832  15.234
  734   2HB   TYR   9          HB1       TYR   9  36.459  22.741  14.230
  735    HD1  TYR   9           HD2      TYR   9  38.029  24.423  17.126
  736    HD2  TYR   9           HD1      TYR   9  34.610  24.317  14.523
  737    HE1  TYR   9           HE2      TYR   9  37.300  26.631  17.992
  738    HE2  TYR   9           HE1      TYR   9  33.885  26.524  15.390
  739    HH   TYR   9           HH       TYR   9  34.185  27.936  17.307
  740    H    PHE  10           HN       PHE  10  34.744  20.781  14.378
  741    HA   PHE  10           HA       PHE  10  32.322  22.140  15.134
  742   1HB   PHE  10          HB2       PHE  10  33.256  20.631  12.863
  743   2HB   PHE  10          HB1       PHE  10  31.768  19.856  13.394
  744    HD1  PHE  10           HD2      PHE  10  33.204  23.285  12.819
  745    HD2  PHE  10           HD1      PHE  10  29.731  20.766  12.571
  746    HE1  PHE  10           HE2      PHE  10  31.936  25.135  11.760
  747    HE2  PHE  10           HE1      PHE  10  28.469  22.618  11.517
  748    HZ   PHE  10           HZ       PHE  10  29.564  24.797  11.109
  749    H    ILE  11           HN       ILE  11  33.483  18.793  15.414
  750    HA   ILE  11           HA       ILE  11  31.163  17.747  16.598
  751    HB   ILE  11           HB       ILE  11  34.011  16.829  17.007
  752   1HG1  ILE  11          HG12      ILE  11  31.973  16.079  14.872
  753   2HG1  ILE  11          HG11      ILE  11  33.412  17.055  14.606
  754   1HG2  ILE  11          HG21      ILE  11  32.982  14.659  17.430
  755   2HG2  ILE  11          HG22      ILE  11  31.379  15.322  17.157
  756   3HG2  ILE  11          HG23      ILE  11  32.323  15.827  18.558
  757   1HD1  ILE  11          HD11      ILE  11  33.267  14.146  15.400
  758   2HD1  ILE  11          HD12      ILE  11  34.762  15.083  15.478
  759   3HD1  ILE  11          HD13      ILE  11  33.959  14.828  13.929
  760    H    GLU  12           HN       GLU  12  34.112  19.093  18.046
  761    HA   GLU  12           HA       GLU  12  33.594  18.639  20.735
  762   1HB   GLU  12          HB2       GLU  12  35.063  20.803  19.236
  763   2HB   GLU  12          HB1       GLU  12  34.857  20.981  20.976
  764   1HG   GLU  12          HG2       GLU  12  35.991  18.446  19.741
  765   2HG   GLU  12          HG1       GLU  12  37.015  19.806  20.198
  766    H    ASN  13           HN       ASN  13  31.903  20.711  18.550
  767    HA   ASN  13           HA       ASN  13  30.807  22.545  20.426
  768   1HB   ASN  13          HB2       ASN  13  30.833  22.767  17.879
  769   2HB   ASN  13          HB1       ASN  13  29.478  21.643  17.856
  770   1HD2  ASN  13          HD21      ASN  13  30.427  24.939  18.538
  771   2HD2  ASN  13          HD22      ASN  13  28.877  25.512  18.927
  772    H    LEU  14           HN       LEU  14  29.836  19.351  19.292
  773    HA   LEU  14           HA       LEU  14  27.271  19.367  20.594
  774   1HB   LEU  14          HB2       LEU  14  28.932  17.089  19.485
  775   2HB   LEU  14          HB1       LEU  14  27.293  16.926  20.105
  776    HG   LEU  14           HG       LEU  14  26.885  18.987  18.308
  777   1HD1  LEU  14          HD11      LEU  14  29.295  18.832  17.598
  778   2HD1  LEU  14          HD12      LEU  14  28.142  18.607  16.286
  779   3HD1  LEU  14          HD13      LEU  14  28.950  17.212  16.998
  780   1HD2  LEU  14          HD21      LEU  14  25.607  16.877  18.408
  781   2HD2  LEU  14          HD22      LEU  14  26.932  16.038  17.600
  782   3HD2  LEU  14          HD23      LEU  14  26.032  17.290  16.749
  783    H    LYS  15           HN       LYS  15  30.508  18.268  21.415
  784    HA   LYS  15           HA       LYS  15  29.954  16.685  23.616
  785   1HB   LYS  15          HB2       LYS  15  32.173  16.891  22.643
  786   2HB   LYS  15          HB1       LYS  15  32.275  18.556  23.193
  787   1HG   LYS  15          HG2       LYS  15  31.611  16.605  25.370
  788   2HG   LYS  15          HG1       LYS  15  33.193  16.345  24.655
  789   1HD   LYS  15          HD2       LYS  15  32.345  19.125  25.530
  790   2HD   LYS  15          HD1       LYS  15  33.003  17.980  26.694
  791   1HE   LYS  15          HE2       LYS  15  35.056  17.763  25.379
  792   2HE   LYS  15          HE1       LYS  15  34.409  18.827  24.135
  793   1HZ   LYS  15          HZ1       LYS  15  34.792  19.614  26.968
  794   2HZ   LYS  15          HZ2       LYS  15  34.343  20.625  25.680
  795   3HZ   LYS  15          HZ3       LYS  15  35.901  19.951  25.729
  796    H    GLN  16           HN       GLN  16  30.240  20.203  23.384
  797    HA   GLN  16           HA       GLN  16  30.009  20.755  26.168
  798   1HB   GLN  16          HB2       GLN  16  30.836  22.357  24.411
  799   2HB   GLN  16          HB1       GLN  16  29.168  22.531  23.865
  800   1HG   GLN  16          HG2       GLN  16  28.509  23.307  26.116
  801   2HG   GLN  16          HG1       GLN  16  30.175  23.131  26.662
  802   1HE2  GLN  16          HE21      GLN  16  31.287  25.077  26.645
  803   2HE2  GLN  16          HE22      GLN  16  31.004  26.352  25.562
  804    H    HIS  17           HN       HIS  17  27.648  20.264  23.597
  805    HA   HIS  17           HA       HIS  17  25.383  21.200  25.009
  806   1HB   HIS  17          HB2       HIS  17  25.483  19.027  22.897
  807   2HB   HIS  17          HB1       HIS  17  24.065  19.942  23.391
  808    HD1  HIS  17           HD1      HIS  17  26.489  22.418  23.572
  809    HD2  HIS  17           HD2      HIS  17  24.730  20.483  20.326
  810    HE1  HIS  17           HE1      HIS  17  26.794  23.947  21.576
  811    HE2  HIS  17           HE2      HIS  17  25.727  22.782  19.589
  812    H    ILE  18           HN       ILE  18  26.632  17.877  24.602
  813    HA   ILE  18           HA       ILE  18  24.742  16.751  26.461
  814    HB   ILE  18           HB       ILE  18  26.045  14.683  26.183
  815   1HG1  ILE  18          HG12      ILE  18  27.966  16.517  24.731
  816   2HG1  ILE  18          HG11      ILE  18  28.311  15.552  26.156
  817   1HG2  ILE  18          HG21      ILE  18  25.570  14.366  23.861
  818   2HG2  ILE  18          HG22      ILE  18  25.838  16.068  23.485
  819   3HG2  ILE  18          HG23      ILE  18  24.421  15.575  24.402
  820   1HD1  ILE  18          HD11      ILE  18  27.742  13.498  24.717
  821   2HD1  ILE  18          HD12      ILE  18  29.265  14.322  24.382
  822   3HD1  ILE  18          HD13      ILE  18  27.873  14.589  23.335
  823    H    GLU  19           HN       GLU  19  28.195  17.570  26.604
  824    HA   GLU  19           HA       GLU  19  28.573  16.692  29.280
  825   1HB   GLU  19          HB2       GLU  19  30.390  17.096  27.569
  826   2HB   GLU  19          HB1       GLU  19  30.165  18.823  27.823
  827   1HG   GLU  19          HG2       GLU  19  30.794  16.901  30.090
  828   2HG   GLU  19          HG1       GLU  19  32.044  17.731  29.172
  829    H    MET  20           HN       MET  20  28.089  19.943  27.894
  830    HA   MET  20           HA       MET  20  27.658  21.046  30.581
  831   1HB   MET  20          HB2       MET  20  28.911  22.100  28.395
  832   2HB   MET  20          HB1       MET  20  27.316  22.794  28.165
  833   1HG   MET  20          HG2       MET  20  28.485  24.387  29.502
  834   2HG   MET  20          HG1       MET  20  27.457  23.519  30.634
  835   1HE   MET  20          HE1       MET  20  31.976  23.466  30.175
  836   2HE   MET  20          HE2       MET  20  30.762  24.070  29.054
  837   3HE   MET  20          HE3       MET  20  31.170  22.357  29.061
  838    H    ASN  21           HN       ASN  21  25.892  23.118  29.694
  839    HA   ASN  21           HA       ASN  21  23.476  21.954  28.663
  840   1HB   ASN  21          HB2       ASN  21  22.155  22.141  30.720
  841   2HB   ASN  21          HB1       ASN  21  23.469  20.984  30.929
  842   1HD2  ASN  21          HD21      ASN  21  22.396  22.116  33.238
  843   2HD2  ASN  21          HD22      ASN  21  23.494  23.227  33.901
  844    H    GLN  22           HN       GLN  22  25.034  24.195  27.962
  845    HA   GLN  22           HA       GLN  22  24.217  26.638  29.048
  846   1HB   GLN  22          HB2       GLN  22  24.896  27.618  26.885
  847   2HB   GLN  22          HB1       GLN  22  26.082  26.448  27.464
  848   1HG   GLN  22          HG2       GLN  22  24.948  24.713  26.010
  849   2HG   GLN  22          HG1       GLN  22  23.977  26.015  25.327
  850   1HE2  GLN  22          HE21      GLN  22  24.865  26.106  23.221
  851   2HE2  GLN  22          HE22      GLN  22  26.498  26.449  22.912
  852    H    SER  23           HN       SER  23  22.740  24.614  26.568
  853    HA   SER  23           HA       SER  23  20.111  25.366  27.073
  854   1HB   SER  23          HB2       SER  23  20.375  27.592  26.325
  855   2HB   SER  23          HB1       SER  23  21.520  27.127  25.071
  856    HG   SER  23           HG       SER  23  18.989  27.535  24.772
  857    H    GLU  24           HN       GLU  24  20.579  22.981  26.694
  858    HA   GLU  24           HA       GLU  24  19.454  22.267  24.152
  859   1HB   GLU  24          HB2       GLU  24  22.056  22.627  23.822
  860   2HB   GLU  24          HB1       GLU  24  22.197  21.058  24.595
  861   1HG   GLU  24          HG2       GLU  24  22.063  20.580  22.248
  862   2HG   GLU  24          HG1       GLU  24  20.459  20.218  22.882
  863    H    ASP  25           HN       ASP  25  21.004  19.587  24.552
  864    HA   ASP  25           HA       ASP  25  19.867  18.556  27.025
  865   1HB   ASP  25          HB2       ASP  25  18.853  17.592  24.335
  866   2HB   ASP  25          HB1       ASP  25  18.435  16.905  25.905
  867    H    LYS  26           HN       LYS  26  19.849  15.861  26.240
  868    HA   LYS  26           HA       LYS  26  22.746  15.384  26.095
  869   1HB   LYS  26          HB2       LYS  26  21.325  14.327  27.861
  870   2HB   LYS  26          HB1       LYS  26  20.513  13.398  26.607
  871   1HG   LYS  26          HG2       LYS  26  22.698  12.435  25.931
  872   2HG   LYS  26          HG1       LYS  26  23.495  13.368  27.194
  873   1HD   LYS  26          HD2       LYS  26  22.078  12.220  28.892
  874   2HD   LYS  26          HD1       LYS  26  21.365  11.245  27.606
  875   1HE   LYS  26          HE2       LYS  26  24.319  11.328  28.281
  876   2HE   LYS  26          HE1       LYS  26  23.207  10.045  28.759
  877   1HZ   LYS  26          HZ1       LYS  26  23.415   9.120  26.776
  878   2HZ   LYS  26          HZ2       LYS  26  24.592  10.277  26.376
  879   3HZ   LYS  26          HZ3       LYS  26  22.962  10.555  25.996
  880    H    ILE  27           HN       ILE  27  20.750  12.821  24.966
  881    HA   ILE  27           HA       ILE  27  22.138  12.607  22.513
  882    HB   ILE  27           HB       ILE  27  19.436  11.441  23.197
  883   1HG1  ILE  27          HG12      ILE  27  21.036  10.933  24.980
  884   2HG1  ILE  27          HG11      ILE  27  20.688   9.488  24.045
  885   1HG2  ILE  27          HG21      ILE  27  20.224   9.628  21.645
  886   2HG2  ILE  27          HG22      ILE  27  21.605  10.647  21.240
  887   3HG2  ILE  27          HG23      ILE  27  19.971  11.188  20.861
  888   1HD1  ILE  27          HD11      ILE  27  23.018   9.500  24.398
  889   2HD1  ILE  27          HD12      ILE  27  23.194  11.185  23.972
  890   3HD1  ILE  27          HD13      ILE  27  22.830   9.990  22.722
  891    H    HIS  28           HN       HIS  28  18.984  13.987  23.342
  892    HA   HIS  28           HA       HIS  28  18.154  14.500  20.691
  893   1HB   HIS  28          HB2       HIS  28  16.678  14.588  22.718
  894   2HB   HIS  28          HB1       HIS  28  17.441  16.112  23.150
  895    HD1  HIS  28           HD1      HIS  28  17.008  18.165  21.562
  896    HD2  HIS  28           HD2      HIS  28  14.820  14.749  20.596
  897    HE1  HIS  28           HE1      HIS  28  15.210  18.902  19.935
  898    HE2  HIS  28           HE2      HIS  28  13.868  16.830  19.337
  899    H    ALA  29           HN       ALA  29  20.877  15.602  22.099
  900    HA   ALA  29           HA       ALA  29  20.835  18.387  21.402
  901   1HB   ALA  29          HB1       ALA  29  23.239  18.325  21.812
  902   2HB   ALA  29          HB2       ALA  29  23.209  16.562  21.838
  903   3HB   ALA  29          HB3       ALA  29  22.385  17.478  23.100
  904    H    MET  30           HN       MET  30  22.199  15.473  19.879
  905    HA   MET  30           HA       MET  30  23.345  16.752  17.662
  906   1HB   MET  30          HB2       MET  30  23.392  14.559  16.629
  907   2HB   MET  30          HB1       MET  30  23.787  14.393  18.336
  908   1HG   MET  30          HG2       MET  30  22.205  12.674  18.128
  909   2HG   MET  30          HG1       MET  30  21.144  14.000  18.555
  910   1HE   MET  30          HE1       MET  30  20.640  11.177  17.043
  911   2HE   MET  30          HE2       MET  30  19.335  11.643  15.965
  912   3HE   MET  30          HE3       MET  30  19.357  12.227  17.625
  913    H    ASN  31           HN       ASN  31  20.075  15.425  18.167
  914    HA   ASN  31           HA       ASN  31  19.089  15.672  15.578
  915   1HB   ASN  31          HB2       ASN  31  17.699  16.185  18.222
  916   2HB   ASN  31          HB1       ASN  31  16.848  16.086  16.682
  917   1HD2  ASN  31          HD21      ASN  31  17.807  13.960  15.378
  918   2HD2  ASN  31          HD22      ASN  31  17.739  12.543  16.312
  919    H    SER  32           HN       SER  32  19.041  18.172  18.144
  920    HA   SER  32           HA       SER  32  17.927  20.193  16.477
  921   1HB   SER  32          HB2       SER  32  19.603  20.390  18.980
  922   2HB   SER  32          HB1       SER  32  18.766  21.752  18.242
  923    HG   SER  32           HG       SER  32  17.716  20.360  20.000
  924    H    TYR  33           HN       TYR  33  21.285  19.762  17.634
  925    HA   TYR  33           HA       TYR  33  22.460  21.796  16.122
  926   1HB   TYR  33          HB2       TYR  33  23.615  20.629  17.951
  927   2HB   TYR  33          HB1       TYR  33  23.657  19.146  16.996
  928    HD1  TYR  33           HD2      TYR  33  24.899  22.628  17.238
  929    HD2  TYR  33           HD1      TYR  33  25.241  18.879  15.173
  930    HE1  TYR  33           HE2      TYR  33  26.969  23.430  16.131
  931    HE2  TYR  33           HE1      TYR  33  27.313  19.681  14.061
  932    HH   TYR  33           HH       TYR  33  28.188  22.722  13.771
  933    H    TYR  34           HN       TYR  34  22.022  18.355  15.328
  934    HA   TYR  34           HA       TYR  34  23.312  18.334  12.845
  935   1HB   TYR  34          HB2       TYR  34  22.588  16.285  14.021
  936   2HB   TYR  34          HB1       TYR  34  20.900  16.708  13.724
  937    HD1  TYR  34           HD2      TYR  34  24.092  15.719  12.178
  938    HD2  TYR  34           HD1      TYR  34  19.901  16.380  11.532
  939    HE1  TYR  34           HE2      TYR  34  24.273  14.679   9.927
  940    HE2  TYR  34           HE1      TYR  34  20.074  15.318   9.298
  941    HH   TYR  34           HH       TYR  34  23.146  13.930   8.152
  942    H    ARG  35           HN       ARG  35  19.893  18.947  13.642
  943    HA   ARG  35           HA       ARG  35  19.118  19.450  10.935
  944   1HB   ARG  35          HB2       ARG  35  17.528  18.732  12.703
  945   2HB   ARG  35          HB1       ARG  35  17.742  20.292  13.496
  946   1HG   ARG  35          HG2       ARG  35  16.874  21.461  11.535
  947   2HG   ARG  35          HG1       ARG  35  16.772  19.943  10.643
  948   1HD   ARG  35          HD2       ARG  35  15.127  19.093  12.256
  949   2HD   ARG  35          HD1       ARG  35  15.247  20.585  13.184
  950    HE   ARG  35           HE       ARG  35  13.749  20.193  10.753
  951   1HH1  ARG  35          HH21      ARG  35  15.535  22.456  12.666
  952   2HH1  ARG  35          HH22      ARG  35  14.696  23.843  12.056
  953   1HH2  ARG  35          HH11      ARG  35  12.643  22.006   9.951
  954   2HH2  ARG  35          HH12      ARG  35  13.059  23.589  10.519
  955    H    SER  36           HN       SER  36  20.552  21.355  13.461
  956    HA   SER  36           HA       SER  36  19.797  23.926  12.417
  957   1HB   SER  36          HB2       SER  36  21.250  24.851  14.053
  958   2HB   SER  36          HB1       SER  36  20.595  23.398  14.802
  959    HG   SER  36           HG       SER  36  23.120  23.762  13.562
  960    H    VAL  37           HN       VAL  37  22.761  21.961  12.237
  961    HA   VAL  37           HA       VAL  37  24.145  23.816  10.553
  962    HB   VAL  37           HB       VAL  37  24.583  20.865  11.089
  963   1HG1  VAL  37          HG11      VAL  37  26.188  22.871   9.470
  964   2HG1  VAL  37          HG12      VAL  37  25.645  21.262   8.990
  965   3HG1  VAL  37          HG13      VAL  37  26.930  21.439  10.165
  966   1HG2  VAL  37          HG21      VAL  37  25.927  23.380  12.140
  967   2HG2  VAL  37          HG22      VAL  37  26.460  21.733  12.482
  968   3HG2  VAL  37          HG23      VAL  37  24.887  22.286  13.058
  969    H    VAL  38           HN       VAL  38  22.691  20.621   9.836
  970    HA   VAL  38           HA       VAL  38  23.045  20.586   7.091
  971    HB   VAL  38           HB       VAL  38  20.740  19.530   8.757
  972   1HG1  VAL  38          HG11      VAL  38  21.375  19.115   5.819
  973   2HG1  VAL  38          HG12      VAL  38  19.855  19.670   6.521
  974   3HG1  VAL  38          HG13      VAL  38  20.362  17.998   6.738
  975   1HG2  VAL  38          HG21      VAL  38  23.173  18.210   7.515
  976   2HG2  VAL  38          HG22      VAL  38  21.926  17.385   8.444
  977   3HG2  VAL  38          HG23      VAL  38  22.966  18.572   9.228
  978    H    SER  39           HN       SER  39  20.355  22.080   8.898
  979    HA   SER  39           HA       SER  39  18.892  22.979   6.672
  980   1HB   SER  39          HB2       SER  39  19.110  24.067   9.486
  981   2HB   SER  39          HB1       SER  39  17.941  24.647   8.303
  982    HG   SER  39           HG       SER  39  16.780  23.020   8.939
  983    H    THR  40           HN       THR  40  21.657  24.332   8.379
  984    HA   THR  40           HA       THR  40  21.576  26.894   7.077
  985    HB   THR  40           HB       THR  40  23.915  25.544   8.444
  986    HG1  THR  40           HG1      THR  40  23.155  26.502  10.292
  987   1HG2  THR  40          HG21      THR  40  24.579  27.915   8.869
  988   2HG2  THR  40          HG22      THR  40  23.249  28.434   7.836
  989   3HG2  THR  40          HG23      THR  40  24.577  27.486   7.159
  990    H    LEU  41           HN       LEU  41  23.562  23.966   6.675
  991    HA   LEU  41           HA       LEU  41  25.220  24.870   4.625
  992   1HB   LEU  41          HB2       LEU  41  24.099  22.101   5.088
  993   2HB   LEU  41          HB1       LEU  41  25.454  22.473   4.031
  994    HG   LEU  41           HG       LEU  41  25.391  23.045   7.008
  995   1HD1  LEU  41          HD11      LEU  41  27.072  21.136   7.063
  996   2HD1  LEU  41          HD12      LEU  41  26.598  20.773   5.402
  997   3HD1  LEU  41          HD13      LEU  41  25.413  20.662   6.698
  998   1HD2  LEU  41          HD21      LEU  41  27.466  23.465   4.838
  999   2HD2  LEU  41          HD22      LEU  41  27.981  23.161   6.500
 1000   3HD2  LEU  41          HD23      LEU  41  26.978  24.554   6.136
 1001    H    VAL  42           HN       VAL  42  21.940  23.602   4.496
 1002    HA   VAL  42           HA       VAL  42  21.840  23.616   1.590
 1003    HB   VAL  42           HB       VAL  42  19.649  23.289   3.636
 1004   1HG1  VAL  42          HG11      VAL  42  18.438  22.251   1.645
 1005   2HG1  VAL  42          HG12      VAL  42  19.713  22.920   0.624
 1006   3HG1  VAL  42          HG13      VAL  42  18.664  23.999   1.547
 1007   1HG2  VAL  42          HG21      VAL  42  21.522  21.528   3.566
 1008   2HG2  VAL  42          HG22      VAL  42  20.982  21.151   1.927
 1009   3HG2  VAL  42          HG23      VAL  42  19.890  20.919   3.293
 1010    H    GLN  43           HN       GLN  43  20.924  25.722   4.233
 1011    HA   GLN  43           HA       GLN  43  20.048  27.762   2.251
 1012   1HB   GLN  43          HB2       GLN  43  18.159  26.855   3.628
 1013   2HB   GLN  43          HB1       GLN  43  18.996  27.425   5.072
 1014   1HG   GLN  43          HG2       GLN  43  18.900  29.723   4.293
 1015   2HG   GLN  43          HG1       GLN  43  18.234  29.214   2.742
 1016   1HE2  GLN  43          HE21      GLN  43  16.184  27.538   3.321
 1017   2HE2  GLN  43          HE22      GLN  43  15.047  28.273   4.345
 1018    H    ASP  44           HN       ASP  44  22.239  28.436   2.197
 1019    HA   ASP  44           HA       ASP  44  22.757  30.597   3.974
 1020   1HB   ASP  44          HB2       ASP  44  23.473  28.823   5.493
 1021   2HB   ASP  44          HB1       ASP  44  24.553  28.179   4.259
 1022    H    GLN  45           HN       GLN  45  24.849  28.293   2.220
 1023    HA   GLN  45           HA       GLN  45  25.976  30.555   0.660
 1024   1HB   GLN  45          HB2       GLN  45  27.841  29.048   0.185
 1025   2HB   GLN  45          HB1       GLN  45  27.576  29.180   1.923
 1026   1HG   GLN  45          HG2       GLN  45  26.166  27.046   1.735
 1027   2HG   GLN  45          HG1       GLN  45  26.800  26.886   0.099
 1028   1HE2  GLN  45          HE21      GLN  45  27.482  24.811   1.661
 1029   2HE2  GLN  45          HE22      GLN  45  29.088  24.921   2.197
 1030    H    LEU  46           HN       LEU  46  24.696  27.259   0.259
 1031    HA   LEU  46           HA       LEU  46  24.003  26.130  -1.653
 1032   1HB   LEU  46          HB2       LEU  46  22.746  28.874  -1.761
 1033   2HB   LEU  46          HB1       LEU  46  22.400  27.727  -3.050
 1034    HG   LEU  46           HG       LEU  46  22.087  26.865  -0.162
 1035   1HD1  LEU  46          HD11      LEU  46  20.811  28.949  -0.305
 1036   2HD1  LEU  46          HD12      LEU  46  19.708  27.574  -0.250
 1037   3HD1  LEU  46          HD13      LEU  46  20.027  28.389  -1.782
 1038   1HD2  LEU  46          HD21      LEU  46  20.662  26.127  -2.752
 1039   2HD2  LEU  46          HD22      LEU  46  20.317  25.415  -1.183
 1040   3HD2  LEU  46          HD23      LEU  46  21.882  25.151  -1.939
 1041    H    THR  47           HN       THR  47  26.490  26.440  -2.153
 1042    HA   THR  47           HA       THR  47  26.941  28.019  -4.587
 1043    HB   THR  47           HB       THR  47  28.687  28.165  -2.939
 1044    HG1  THR  47           HG1      THR  47  30.140  26.493  -4.399
 1045   1HG2  THR  47          HG21      THR  47  28.754  25.144  -3.072
 1046   2HG2  THR  47          HG22      THR  47  28.217  26.110  -1.699
 1047   3HG2  THR  47          HG23      THR  47  29.906  26.149  -2.198
 1048    H    LYS  48           HN       LYS  48  26.427  24.757  -3.543
 1049    HA   LYS  48           HA       LYS  48  25.887  23.801  -6.141
 1050   1HB   LYS  48          HB2       LYS  48  28.381  24.000  -6.350
 1051   2HB   LYS  48          HB1       LYS  48  28.533  22.866  -5.021
 1052   1HG   LYS  48          HG2       LYS  48  27.383  21.149  -6.287
 1053   2HG   LYS  48          HG1       LYS  48  27.052  22.285  -7.592
 1054   1HD   LYS  48          HD2       LYS  48  29.478  22.555  -7.955
 1055   2HD   LYS  48          HD1       LYS  48  29.793  21.393  -6.664
 1056   1HE   LYS  48          HE2       LYS  48  28.545  19.671  -7.904
 1057   2HE   LYS  48          HE1       LYS  48  28.228  20.829  -9.193
 1058   1HZ   LYS  48          HZ1       LYS  48  30.130  19.452  -9.729
 1059   2HZ   LYS  48          HZ2       LYS  48  30.911  19.927  -8.295
 1060   3HZ   LYS  48          HZ3       LYS  48  30.613  21.065  -9.521
 1061    H    ASN  49           HN       ASN  49  24.786  21.895  -6.017
 1062    HA   ASN  49           HA       ASN  49  23.854  20.947  -3.563
 1063   1HB   ASN  49          HB2       ASN  49  24.018  19.556  -6.247
 1064   2HB   ASN  49          HB1       ASN  49  23.137  18.902  -4.867
 1065   1HD2  ASN  49          HD21      ASN  49  21.903  19.731  -7.399
 1066   2HD2  ASN  49          HD22      ASN  49  20.850  21.009  -7.032
 1067    H    ALA  50           HN       ALA  50  26.494  19.737  -5.584
 1068    HA   ALA  50           HA       ALA  50  27.127  17.459  -4.054
 1069   1HB   ALA  50          HB1       ALA  50  29.273  17.484  -5.176
 1070   2HB   ALA  50          HB2       ALA  50  29.061  19.177  -5.623
 1071   3HB   ALA  50          HB3       ALA  50  28.023  17.939  -6.333
 1072    H    VAL  51           HN       VAL  51  28.293  20.804  -3.834
 1073    HA   VAL  51           HA       VAL  51  30.196  20.384  -1.809
 1074    HB   VAL  51           HB       VAL  51  28.592  22.816  -2.604
 1075   1HG1  VAL  51          HG11      VAL  51  30.712  22.513  -0.451
 1076   2HG1  VAL  51          HG12      VAL  51  29.129  23.279  -0.320
 1077   3HG1  VAL  51          HG13      VAL  51  30.411  24.063  -1.233
 1078   1HG2  VAL  51          HG21      VAL  51  30.575  23.498  -3.755
 1079   2HG2  VAL  51          HG22      VAL  51  30.416  21.780  -4.130
 1080   3HG2  VAL  51          HG23      VAL  51  31.570  22.310  -2.911
 1081    H    VAL  52           HN       VAL  52  26.720  20.908  -1.694
 1082    HA   VAL  52           HA       VAL  52  26.656  21.164   1.188
 1083    HB   VAL  52           HB       VAL  52  24.379  20.672  -0.759
 1084   1HG1  VAL  52          HG11      VAL  52  23.714  20.071   1.457
 1085   2HG1  VAL  52          HG12      VAL  52  23.062  21.662   1.098
 1086   3HG1  VAL  52          HG13      VAL  52  24.472  21.511   2.128
 1087   1HG2  VAL  52          HG21      VAL  52  24.072  23.076  -0.693
 1088   2HG2  VAL  52          HG22      VAL  52  25.741  22.765  -1.149
 1089   3HG2  VAL  52          HG23      VAL  52  25.360  23.253   0.498
 1090    H    LEU  53           HN       LEU  53  25.888  18.645  -1.176
 1091    HA   LEU  53           HA       LEU  53  24.887  16.768   0.653
 1092   1HB   LEU  53          HB2       LEU  53  24.918  16.838  -1.989
 1093   2HB   LEU  53          HB1       LEU  53  26.381  15.878  -1.803
 1094    HG   LEU  53           HG       LEU  53  23.605  15.213  -0.768
 1095   1HD1  LEU  53          HD11      LEU  53  23.927  13.219  -2.258
 1096   2HD1  LEU  53          HD12      LEU  53  25.402  13.972  -2.862
 1097   3HD1  LEU  53          HD13      LEU  53  23.843  14.759  -3.112
 1098   1HD2  LEU  53          HD21      LEU  53  24.772  12.999  -0.104
 1099   2HD2  LEU  53          HD22      LEU  53  25.045  14.395   0.932
 1100   3HD2  LEU  53          HD23      LEU  53  26.285  13.900  -0.227
 1101    H    LYS  54           HN       LYS  54  28.174  17.045  -0.717
 1102    HA   LYS  54           HA       LYS  54  29.328  14.930   0.707
 1103   1HB   LYS  54          HB2       LYS  54  31.455  15.882   0.147
 1104   2HB   LYS  54          HB1       LYS  54  30.382  16.247  -1.200
 1105   1HG   LYS  54          HG2       LYS  54  29.949  18.491  -0.127
 1106   2HG   LYS  54          HG1       LYS  54  31.231  18.139   1.021
 1107   1HD   LYS  54          HD2       LYS  54  31.509  18.345  -1.987
 1108   2HD   LYS  54          HD1       LYS  54  32.111  19.488  -0.785
 1109   1HE   LYS  54          HE2       LYS  54  33.104  16.689  -1.356
 1110   2HE   LYS  54          HE1       LYS  54  34.022  18.190  -1.312
 1111   1HZ   LYS  54          HZ1       LYS  54  33.379  18.294   1.115
 1112   2HZ   LYS  54          HZ2       LYS  54  34.510  17.104   0.682
 1113   3HZ   LYS  54          HZ3       LYS  54  32.893  16.678   0.965
 1114    H    ARG  55           HN       ARG  55  28.832  18.306   1.601
 1115    HA   ARG  55           HA       ARG  55  30.307  18.267   4.001
 1116   1HB   ARG  55          HB2       ARG  55  29.416  20.300   2.713
 1117   2HB   ARG  55          HB1       ARG  55  27.868  19.987   3.483
 1118   1HG   ARG  55          HG2       ARG  55  28.818  21.513   4.997
 1119   2HG   ARG  55          HG1       ARG  55  29.323  19.995   5.724
 1120   1HD   ARG  55          HD2       ARG  55  31.505  20.212   4.491
 1121   2HD   ARG  55          HD1       ARG  55  30.967  21.775   3.893
 1122    HE   ARG  55           HE       ARG  55  30.723  21.909   6.647
 1123   1HH1  ARG  55          HH21      ARG  55  33.202  21.283   4.316
 1124   2HH1  ARG  55          HH22      ARG  55  34.476  21.939   5.289
 1125   1HH2  ARG  55          HH11      ARG  55  32.388  22.773   7.929
 1126   2HH2  ARG  55          HH12      ARG  55  34.015  22.783   7.334
 1127    H    ILE  56           HN       ILE  56  26.961  17.444   3.248
 1128    HA   ILE  56           HA       ILE  56  26.090  17.159   5.943
 1129    HB   ILE  56           HB       ILE  56  25.046  16.021   3.322
 1130   1HG1  ILE  56          HG12      ILE  56  23.921  18.186   5.134
 1131   2HG1  ILE  56          HG11      ILE  56  24.971  18.522   3.775
 1132   1HG2  ILE  56          HG21      ILE  56  22.921  15.618   4.716
 1133   2HG2  ILE  56          HG22      ILE  56  23.936  15.812   6.145
 1134   3HG2  ILE  56          HG23      ILE  56  24.251  14.503   5.008
 1135   1HD1  ILE  56          HD11      ILE  56  23.398  17.561   2.235
 1136   2HD1  ILE  56          HD12      ILE  56  22.547  18.733   3.229
 1137   3HD1  ILE  56          HD13      ILE  56  22.376  17.009   3.551
 1138    H    GLN  57           HN       GLN  57  27.301  14.827   3.536
 1139    HA   GLN  57           HA       GLN  57  27.014  12.497   5.028
 1140   1HB   GLN  57          HB2       GLN  57  29.120  13.271   2.991
 1141   2HB   GLN  57          HB1       GLN  57  28.883  11.631   3.598
 1142   1HG   GLN  57          HG2       GLN  57  26.578  11.631   2.768
 1143   2HG   GLN  57          HG1       GLN  57  26.763  13.292   2.207
 1144   1HE2  GLN  57          HE21      GLN  57  26.902  10.114   1.147
 1145   2HE2  GLN  57          HE22      GLN  57  27.897  10.333  -0.210
 1146    H    HIS  58           HN       HIS  58  29.558  14.946   5.058
 1147    HA   HIS  58           HA       HIS  58  31.302  13.505   6.824
 1148   1HB   HIS  58          HB2       HIS  58  32.434  15.122   5.518
 1149   2HB   HIS  58          HB1       HIS  58  31.170  16.329   5.737
 1150    HD1  HIS  58           HD1      HIS  58  30.912  17.109   8.395
 1151    HD2  HIS  58           HD2      HIS  58  34.600  15.557   7.225
 1152    HE1  HIS  58           HE1      HIS  58  32.576  17.822  10.159
 1153    HE2  HIS  58           HE2      HIS  58  34.837  16.891   9.455
 1154    H    LEU  59           HN       LEU  59  28.743  15.912   7.181
 1155    HA   LEU  59           HA       LEU  59  29.263  16.511   9.885
 1156   1HB   LEU  59          HB2       LEU  59  27.740  17.731   8.185
 1157   2HB   LEU  59          HB1       LEU  59  26.498  16.596   8.673
 1158    HG   LEU  59           HG       LEU  59  26.326  18.730   9.900
 1159   1HD1  LEU  59          HD11      LEU  59  27.221  16.872  12.042
 1160   2HD1  LEU  59          HD12      LEU  59  25.930  16.336  10.983
 1161   3HD1  LEU  59          HD13      LEU  59  25.753  17.818  11.912
 1162   1HD2  LEU  59          HD21      LEU  59  28.859  18.179  11.438
 1163   2HD2  LEU  59          HD22      LEU  59  28.002  19.687  11.203
 1164   3HD2  LEU  59          HD23      LEU  59  28.960  19.024   9.886
 1165    H    ASP  60           HN       ASP  60  27.263  14.022   8.390
 1166    HA   ASP  60           HA       ASP  60  25.908  13.055  10.601
 1167   1HB   ASP  60          HB2       ASP  60  27.146  11.502   8.310
 1168   2HB   ASP  60          HB1       ASP  60  25.996  10.819   9.457
 1169    H    GLU  61           HN       GLU  61  29.306  12.764   9.802
 1170    HA   GLU  61           HA       GLU  61  30.005  10.638  11.513
 1171   1HB   GLU  61          HB2       GLU  61  32.204  11.139  10.938
 1172   2HB   GLU  61          HB1       GLU  61  31.388  12.064   9.684
 1173   1HG   GLU  61          HG2       GLU  61  31.505  14.078  11.257
 1174   2HG   GLU  61          HG1       GLU  61  32.546  13.109  12.290
 1175    H    ALA  62           HN       ALA  62  29.442  14.052  12.152
 1176    HA   ALA  62           HA       ALA  62  30.588  14.075  14.774
 1177   1HB   ALA  62          HB1       ALA  62  30.117  16.096  13.286
 1178   2HB   ALA  62          HB2       ALA  62  29.645  16.255  14.975
 1179   3HB   ALA  62          HB3       ALA  62  28.431  15.926  13.758
 1180    H    TYR  63           HN       TYR  63  27.226  13.935  13.586
 1181    HA   TYR  63           HA       TYR  63  25.924  13.785  16.008
 1182   1HB   TYR  63          HB2       TYR  63  24.199  13.803  14.492
 1183   2HB   TYR  63          HB1       TYR  63  25.282  13.283  13.208
 1184    HD1  TYR  63           HD2      TYR  63  23.295  12.017  16.112
 1185    HD2  TYR  63           HD1      TYR  63  25.127  11.055  12.351
 1186    HE1  TYR  63           HE2      TYR  63  22.274   9.756  16.187
 1187    HE2  TYR  63           HE1      TYR  63  24.106   8.800  12.428
 1188    HH   TYR  63           HH       TYR  63  23.168   7.287  14.783
 1189    H    ASN  64           HN       ASN  64  27.346  11.188  14.049
 1190    HA   ASN  64           HA       ASN  64  26.488   9.023  15.652
 1191   1HB   ASN  64          HB2       ASN  64  28.785   9.335  13.701
 1192   2HB   ASN  64          HB1       ASN  64  28.407   7.805  14.490
 1193   1HD2  ASN  64          HD21      ASN  64  26.231   6.856  14.031
 1194   2HD2  ASN  64          HD22      ASN  64  25.433   7.257  12.587
 1195    H    LYS  65           HN       LYS  65  29.223  11.202  15.820
 1196    HA   LYS  65           HA       LYS  65  30.824   9.727  17.584
 1197   1HB   LYS  65          HB2       LYS  65  31.366  11.929  16.312
 1198   2HB   LYS  65          HB1       LYS  65  30.616  12.747  17.678
 1199   1HG   LYS  65          HG2       LYS  65  32.817  12.657  18.489
 1200   2HG   LYS  65          HG1       LYS  65  32.251  11.118  19.094
 1201   1HD   LYS  65          HD2       LYS  65  33.182   9.981  17.117
 1202   2HD   LYS  65          HD1       LYS  65  33.725  11.532  16.473
 1203   1HE   LYS  65          HE2       LYS  65  35.575  10.406  17.623
 1204   2HE   LYS  65          HE1       LYS  65  35.113  11.871  18.493
 1205   1HZ   LYS  65          HZ1       LYS  65  34.280  10.705  20.211
 1206   2HZ   LYS  65          HZ2       LYS  65  35.363   9.513  19.668
 1207   3HZ   LYS  65          HZ3       LYS  65  33.721   9.431  19.240
 1208    H    VAL  66           HN       VAL  66  28.080  11.874  18.152
 1209    HA   VAL  66           HA       VAL  66  28.358  12.072  20.955
 1210    HB   VAL  66           HB       VAL  66  25.850  12.287  19.239
 1211   1HG1  VAL  66          HG11      VAL  66  25.169  11.913  21.514
 1212   2HG1  VAL  66          HG12      VAL  66  25.035  13.647  21.218
 1213   3HG1  VAL  66          HG13      VAL  66  26.409  13.006  22.123
 1214   1HG2  VAL  66          HG21      VAL  66  27.526  13.925  18.597
 1215   2HG2  VAL  66          HG22      VAL  66  27.835  14.332  20.286
 1216   3HG2  VAL  66          HG23      VAL  66  26.284  14.743  19.549
 1217    H    LYS  67           HN       LYS  67  26.516   9.861  18.911
 1218    HA   LYS  67           HA       LYS  67  25.382   8.356  21.031
 1219   1HB   LYS  67          HB2       LYS  67  25.773   7.714  18.134
 1220   2HB   LYS  67          HB1       LYS  67  24.695   6.879  19.242
 1221   1HG   LYS  67          HG2       LYS  67  24.305   9.835  19.311
 1222   2HG   LYS  67          HG1       LYS  67  24.033   9.175  17.738
 1223   1HD   LYS  67          HD2       LYS  67  22.741   8.250  20.320
 1224   2HD   LYS  67          HD1       LYS  67  21.982   9.305  19.125
 1225   1HE   LYS  67          HE2       LYS  67  22.376   6.333  19.023
 1226   2HE   LYS  67          HE1       LYS  67  21.090   7.306  18.328
 1227   1HZ   LYS  67          HZ1       LYS  67  22.514   6.255  16.658
 1228   2HZ   LYS  67          HZ2       LYS  67  23.849   7.129  17.242
 1229   3HZ   LYS  67          HZ3       LYS  67  22.535   7.946  16.540
 1230    H    ARG  68           HN       ARG  68  28.033   7.795  18.770
 1231    HA   ARG  68           HA       ARG  68  28.798   5.246  19.656
 1232   1HB   ARG  68          HB2       ARG  68  30.286   7.480  18.266
 1233   2HB   ARG  68          HB1       ARG  68  31.049   5.938  18.625
 1234   1HG   ARG  68          HG2       ARG  68  29.357   4.755  17.313
 1235   2HG   ARG  68          HG1       ARG  68  28.493   6.263  17.023
 1236   1HD   ARG  68          HD2       ARG  68  29.864   5.733  15.077
 1237   2HD   ARG  68          HD1       ARG  68  30.507   7.164  15.875
 1238    HE   ARG  68           HE       ARG  68  31.781   4.815  16.866
 1239   1HH1  ARG  68          HH21      ARG  68  31.579   6.929  14.134
 1240   2HH1  ARG  68          HH22      ARG  68  33.199   6.624  13.603
 1241   1HH2  ARG  68          HH11      ARG  68  33.907   4.410  16.177
 1242   2HH2  ARG  68          HH12      ARG  68  34.517   5.197  14.761
 1243    H    GLY  69           HN       GLY  69  29.352   8.418  20.943
 1244   1HA   GLY  69          HA2       GLY  69  31.520   7.600  22.701
 1245   2HA   GLY  69          HA1       GLY  69  30.748   9.181  22.621
 1246    H    GLU  70           HN       GLU  70  28.324   9.074  23.275
 1247    HA   GLU  70           HA       GLU  70  28.151   8.541  25.974
 1248   1HB   GLU  70          HB2       GLU  70  25.854   9.116  25.786
 1249   2HB   GLU  70          HB1       GLU  70  26.654   9.981  24.485
 1250   1HG   GLU  70          HG2       GLU  70  24.954   9.043  23.238
 1251   2HG   GLU  70          HG1       GLU  70  26.112   7.748  23.133
 1252    H    SER  71           HN       SER  71  26.030   7.069  26.658
 1253    HA   SER  71           HA       SER  71  25.159   4.956  26.913
 1254   1HB   SER  71          HB2       SER  71  25.536   4.909  24.277
 1255   2HB   SER  71          HB1       SER  71  26.813   3.778  24.691
 1256    HG   SER  71           HG       SER  71  25.259   2.389  24.857
 1257    H    LYS  72           HN       LYS  72  26.061   2.592  27.239
 1258    HA   LYS  72           HA       LYS  72  27.381   1.288  28.593
 1259   1HB   LYS  72          HB2       LYS  72  29.520   2.868  27.165
 1260   2HB   LYS  72          HB1       LYS  72  29.822   1.412  28.114
 1261   1HG   LYS  72          HG2       LYS  72  28.216   0.181  26.635
 1262   2HG   LYS  72          HG1       LYS  72  28.099   1.622  25.629
 1263   1HD   LYS  72          HD2       LYS  72  30.685   0.159  26.243
 1264   2HD   LYS  72          HD1       LYS  72  29.749  -0.054  24.768
 1265   1HE   LYS  72          HE2       LYS  72  29.988   2.516  24.464
 1266   2HE   LYS  72          HE1       LYS  72  31.262   2.402  25.681
 1267   1HZ   LYS  72          HZ1       LYS  72  31.797   0.358  23.975
 1268   2HZ   LYS  72          HZ2       LYS  72  32.588   1.861  24.018
 1269   3HZ   LYS  72          HZ3       LYS  72  31.299   1.607  22.941
 1270    H    LEU  73           HN       LEU  73  26.398   2.713  30.331
 1271    HA   LEU  73           HA       LEU  73  26.584   4.188  32.135
 1272   1HB   LEU  73          HB2       LEU  73  28.281   3.404  33.757
 1273   2HB   LEU  73          HB1       LEU  73  27.335   2.087  33.081
 1274    HG   LEU  73           HG       LEU  73  29.951   2.815  31.750
 1275   1HD1  LEU  73          HD11      LEU  73  29.766   1.178  34.261
 1276   2HD1  LEU  73          HD12      LEU  73  30.610   2.713  34.051
 1277   3HD1  LEU  73          HD13      LEU  73  31.181   1.272  33.210
 1278   1HD2  LEU  73          HD21      LEU  73  28.066   0.860  31.186
 1279   2HD2  LEU  73          HD22      LEU  73  29.211  -0.037  32.169
 1280   3HD2  LEU  73          HD23      LEU  73  29.756   0.786  30.709
 1281    H    GLU  74           HN       GLU  74  27.841   5.239  29.722
 1282    HA   GLU  74           HA       GLU  74  30.278   6.296  29.636
 1283   1HB   GLU  74          HB2       GLU  74  29.119   8.594  29.022
 1284   2HB   GLU  74          HB1       GLU  74  28.839   7.181  28.007
 1285   1HG   GLU  74          HG2       GLU  74  26.706   6.753  28.994
 1286   2HG   GLU  74          HG1       GLU  74  27.000   7.875  30.312
 1287    H    HIS  75           HN       HIS  75  31.248   6.260  31.666
 1288    HA   HIS  75           HA       HIS  75  30.542   8.444  33.551
 1289   1HB   HIS  75          HB2       HIS  75  30.511   6.004  34.360
 1290   2HB   HIS  75          HB1       HIS  75  32.257   6.006  34.143
 1291    HD1  HIS  75           HD1      HIS  75  29.743   8.399  35.721
 1292    HD2  HIS  75           HD2      HIS  75  33.448   6.687  36.569
 1293    HE1  HIS  75           HE1      HIS  75  30.464   9.326  37.964
 1294    HE2  HIS  75           HE2      HIS  75  32.721   8.293  38.495
 1295    H    HIS  76           HN       HIS  76  33.359   7.549  34.644
 1296    HA   HIS  76           HA       HIS  76  34.819   9.689  33.257
 1297   1HB   HIS  76          HB2       HIS  76  35.432   8.070  35.745
 1298   2HB   HIS  76          HB1       HIS  76  36.446   9.366  35.110
 1299    HD1  HIS  76           HD1      HIS  76  34.153   8.984  37.686
 1300    HD2  HIS  76           HD2      HIS  76  34.387  11.741  34.568
 1301    HE1  HIS  76           HE1      HIS  76  32.793  10.996  38.405
 1302    HE2  HIS  76           HE2      HIS  76  32.927  12.686  36.515
 1303    H    HIS  77           HN       HIS  77  35.901   9.120  31.499
 1304    HA   HIS  77           HA       HIS  77  36.665   6.506  30.790
 1305   1HB   HIS  77          HB2       HIS  77  37.756   9.184  29.884
 1306   2HB   HIS  77          HB1       HIS  77  38.138   7.645  29.112
 1307    HD1  HIS  77           HD1      HIS  77  35.419  10.173  29.490
 1308    HD2  HIS  77           HD2      HIS  77  35.928   6.437  27.714
 1309    HE1  HIS  77           HE1      HIS  77  33.424   9.826  27.968
 1310    HE2  HIS  77           HE2      HIS  77  33.721   7.553  26.877
 1311    H    HIS  78           HN       HIS  78  38.459   9.112  32.379
 1312    HA   HIS  78           HA       HIS  78  40.275   7.169  33.582
 1313   1HB   HIS  78          HB2       HIS  78  41.299   9.319  31.707
 1314   2HB   HIS  78          HB1       HIS  78  42.302   8.296  32.736
 1315    HD1  HIS  78           HD1      HIS  78  40.078   8.168  29.701
 1316    HD2  HIS  78           HD2      HIS  78  42.616   5.629  31.821
 1317    HE1  HIS  78           HE1      HIS  78  40.375   6.097  28.273
 1318    HE2  HIS  78           HE2      HIS  78  41.920   4.539  29.553
 1319    H    HIS  79           HN       HIS  79  40.587   7.778  35.612
 1320    HA   HIS  79           HA       HIS  79  39.756  10.388  36.534
 1321   1HB   HIS  79          HB2       HIS  79  39.419   8.327  37.877
 1322   2HB   HIS  79          HB1       HIS  79  41.169   8.168  38.036
 1323    HD1  HIS  79           HD1      HIS  79  38.375  10.602  38.899
 1324    HD2  HIS  79           HD2      HIS  79  42.276   9.714  40.072
 1325    HE1  HIS  79           HE1      HIS  79  38.855  12.036  40.931
 1326    HE2  HIS  79           HE2      HIS  79  41.231  11.506  41.659
 1327    H    HIS  80           HN       HIS  80  41.005  12.123  36.294
 1328    HA   HIS  80           HA       HIS  80  43.841  11.967  35.846
 1329   1HB   HIS  80          HB2       HIS  80  42.408  13.735  34.851
 1330   2HB   HIS  80          HB1       HIS  80  42.126  14.388  36.466
 1331    HD1  HIS  80           HD1      HIS  80  45.068  13.584  34.172
 1332    HD2  HIS  80           HD2      HIS  80  44.071  16.190  37.270
 1333    HE1  HIS  80           HE1      HIS  80  47.029  15.166  34.438
 1334    HE2  HIS  80           HE2      HIS  80  46.436  16.761  36.323
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1  -1.298   7.282  -9.158
    2   2H    MET   1          HT2       MET   1  -1.603   6.137  -7.941
    3   3H    MET   1          HT3       MET   1  -0.262   7.174  -7.819
    4    HA   MET   1           HA       MET   1  -1.770   9.089  -7.675
    5   1HB   MET   1          HB2       MET   1  -3.655   7.994  -8.875
    6   2HB   MET   1          HB1       MET   1  -3.885   6.918  -7.496
    7   1HG   MET   1          HG2       MET   1  -4.415   8.793  -6.047
    8   2HG   MET   1          HG1       MET   1  -4.019   9.943  -7.325
    9   1HE   MET   1          HE1       MET   1  -6.469  11.196  -7.360
   10   2HE   MET   1          HE2       MET   1  -6.364  10.309  -5.842
   11   3HE   MET   1          HE3       MET   1  -7.842  10.232  -6.798
   12    H    SER   2           HN       SER   2  -3.037   6.231  -5.979
   13    HA   SER   2           HA       SER   2  -2.377   7.432  -3.394
   14   1HB   SER   2          HB2       SER   2  -3.777   4.838  -4.085
   15   2HB   SER   2          HB1       SER   2  -3.611   5.516  -2.469
   16    HG   SER   2           HG       SER   2  -5.392   6.104  -4.395
   17    H    GLU   3           HN       GLU   3  -0.636   5.776  -5.590
   18    HA   GLU   3           HA       GLU   3   0.581   3.731  -3.985
   19   1HB   GLU   3          HB2       GLU   3   1.455   5.086  -6.554
   20   2HB   GLU   3          HB1       GLU   3   2.296   3.717  -5.825
   21   1HG   GLU   3          HG2       GLU   3   0.279   2.342  -6.006
   22   2HG   GLU   3          HG1       GLU   3  -0.622   3.712  -6.652
   23    H    LEU   4           HN       LEU   4   0.654   5.649  -2.247
   24    HA   LEU   4           HA       LEU   4   1.956   6.991  -0.922
   25   1HB   LEU   4          HB2       LEU   4   3.963   5.103  -2.171
   26   2HB   LEU   4          HB1       LEU   4   4.493   6.320  -1.015
   27    HG   LEU   4           HG       LEU   4   4.024   4.101   0.037
   28   1HD1  LEU   4          HD11      LEU   4   3.226   5.045   1.966
   29   2HD1  LEU   4          HD12      LEU   4   1.873   5.849   1.174
   30   3HD1  LEU   4          HD13      LEU   4   3.488   6.552   1.097
   31   1HD2  LEU   4          HD21      LEU   4   1.842   3.163   0.099
   32   2HD2  LEU   4          HD22      LEU   4   2.073   3.623  -1.589
   33   3HD2  LEU   4          HD23      LEU   4   1.095   4.632  -0.522
   34    H    PHE   5           HN       PHE   5   1.655   7.520  -4.011
   35    HA   PHE   5           HA       PHE   5   3.881   9.143  -4.716
   36   1HB   PHE   5          HB2       PHE   5   2.291   8.181  -6.365
   37   2HB   PHE   5          HB1       PHE   5   1.037   9.259  -5.750
   38    HD1  PHE   5           HD1      PHE   5   4.337   9.131  -7.444
   39    HD2  PHE   5           HD2      PHE   5   0.999  11.600  -6.347
   40    HE1  PHE   5           HE1      PHE   5   5.192  10.937  -8.913
   41    HE2  PHE   5           HE2      PHE   5   1.852  13.407  -7.817
   42    HZ   PHE   5           HZ       PHE   5   3.949  13.076  -9.100
   43    H    SER   6           HN       SER   6   0.938   9.693  -2.923
   44    HA   SER   6           HA       SER   6   1.009  12.555  -3.046
   45   1HB   SER   6          HB2       SER   6  -0.882  10.711  -2.332
   46   2HB   SER   6          HB1       SER   6  -0.367  11.254  -0.738
   47    HG   SER   6           HG       SER   6  -1.604  12.900  -1.147
   48    H    VAL   7           HN       VAL   7   2.065  13.977  -1.763
   49    HA   VAL   7           HA       VAL   7   4.138  13.026  -0.017
   50    HB   VAL   7           HB       VAL   7   3.203  15.910  -0.100
   51   1HG1  VAL   7          HG11      VAL   7   5.051  15.165   1.441
   52   2HG1  VAL   7          HG12      VAL   7   5.517  16.405   0.279
   53   3HG1  VAL   7          HG13      VAL   7   5.985  14.727   0.008
   54   1HG2  VAL   7          HG21      VAL   7   4.810  14.431  -2.204
   55   2HG2  VAL   7          HG22      VAL   7   4.693  16.186  -2.094
   56   3HG2  VAL   7          HG23      VAL   7   3.252  15.229  -2.435
   57    HA   PRO   8           HA       PRO   8   1.035  14.974   3.260
   58   1HB   PRO   8          HB2       PRO   8  -1.482  13.813   2.079
   59   2HB   PRO   8          HB1       PRO   8  -1.249  15.370   2.904
   60   1HG   PRO   8          HG2       PRO   8  -1.539  15.279   0.263
   61   2HG   PRO   8          HG1       PRO   8  -0.367  16.390   1.000
   62   1HD   PRO   8          HD2       PRO   8   0.132  13.740  -0.336
   63   2HD   PRO   8          HD1       PRO   8   1.052  15.250  -0.470
   64    H    TYR   9           HN       TYR   9   0.939  11.921   1.598
   65    HA   TYR   9           HA       TYR   9  -0.223  10.294   3.576
   66   1HB   TYR   9          HB2       TYR   9   0.272   9.591   1.206
   67   2HB   TYR   9          HB1       TYR   9   1.979   9.518   1.643
   68    HD1  TYR   9           HD1      TYR   9   2.764   7.933   3.428
   69    HD2  TYR   9           HD2      TYR   9  -1.246   7.844   1.892
   70    HE1  TYR   9           HE1      TYR   9   2.457   5.660   4.363
   71    HE2  TYR   9           HE2      TYR   9  -1.554   5.569   2.827
   72    HH   TYR   9           HH       TYR   9   0.276   4.267   5.133
   73    H    PHE  10           HN       PHE  10   3.186  11.125   2.961
   74    HA   PHE  10           HA       PHE  10   4.321   9.625   5.044
   75   1HB   PHE  10          HB2       PHE  10   5.149  11.981   3.383
   76   2HB   PHE  10          HB1       PHE  10   6.060  11.740   4.873
   77    HD1  PHE  10           HD1      PHE  10   4.520   9.297   2.457
   78    HD2  PHE  10           HD2      PHE  10   8.126  10.751   4.285
   79    HE1  PHE  10           HE1      PHE  10   5.810   7.488   1.356
   80    HE2  PHE  10           HE2      PHE  10   9.411   8.938   3.188
   81    HZ   PHE  10           HZ       PHE  10   8.266   7.317   1.725
   82    H    ILE  11           HN       ILE  11   2.868  12.845   5.034
   83    HA   ILE  11           HA       ILE  11   3.664  13.559   7.667
   84    HB   ILE  11           HB       ILE  11   1.233  14.525   6.143
   85   1HG1  ILE  11          HG12      ILE  11   4.122  15.473   6.057
   86   2HG1  ILE  11          HG11      ILE  11   3.251  14.702   4.743
   87   1HG2  ILE  11          HG21      ILE  11   1.430  16.492   7.513
   88   2HG2  ILE  11          HG22      ILE  11   2.973  15.970   8.176
   89   3HG2  ILE  11          HG23      ILE  11   1.486  15.131   8.619
   90   1HD1  ILE  11          HD11      ILE  11   1.564  16.621   4.902
   91   2HD1  ILE  11          HD12      ILE  11   3.161  17.034   4.281
   92   3HD1  ILE  11          HD13      ILE  11   2.737  17.426   5.946
   93    H    GLU  12           HN       GLU  12   0.726  12.078   6.335
   94    HA   GLU  12           HA       GLU  12  -0.869  12.009   8.611
   95   1HB   GLU  12          HB2       GLU  12  -0.608  10.060   6.306
   96   2HB   GLU  12          HB1       GLU  12  -1.832   9.857   7.558
   97   1HG   GLU  12          HG2       GLU  12  -1.515  12.406   5.940
   98   2HG   GLU  12          HG1       GLU  12  -2.615  11.108   5.491
   99    H    ASN  13           HN       ASN  13   1.971  10.138   7.864
  100    HA   ASN  13           HA       ASN  13   1.545   8.073   9.802
  101   1HB   ASN  13          HB2       ASN  13   3.076   7.825   7.860
  102   2HB   ASN  13          HB1       ASN  13   4.141   9.036   8.573
  103   1HD2  ASN  13          HD21      ASN  13   5.404   6.674   8.252
  104   2HD2  ASN  13          HD22      ASN  13   5.505   5.799   9.702
  105    H    LEU  14           HN       LEU  14   2.933  11.281   9.842
  106    HA   LEU  14           HA       LEU  14   4.328  11.074  12.314
  107   1HB   LEU  14          HB2       LEU  14   3.183  13.564  11.027
  108   2HB   LEU  14          HB1       LEU  14   4.506  13.471  12.187
  109    HG   LEU  14           HG       LEU  14   4.545  12.220   9.424
  110   1HD1  LEU  14          HD11      LEU  14   5.962  14.006   8.735
  111   2HD1  LEU  14          HD12      LEU  14   6.116  14.626  10.376
  112   3HD1  LEU  14          HD13      LEU  14   4.580  14.774   9.516
  113   1HD2  LEU  14          HD21      LEU  14   6.502  12.284  11.730
  114   2HD2  LEU  14          HD22      LEU  14   7.091  12.197  10.075
  115   3HD2  LEU  14          HD23      LEU  14   6.035  10.939  10.689
  116    H    LYS  15           HN       LYS  15   1.065  12.068  11.405
  117    HA   LYS  15           HA       LYS  15   0.264  13.115  13.867
  118   1HB   LYS  15          HB2       LYS  15  -1.010  13.349  11.743
  119   2HB   LYS  15          HB1       LYS  15  -1.472  11.651  11.875
  120   1HG   LYS  15          HG2       LYS  15  -2.589  12.081  14.009
  121   2HG   LYS  15          HG1       LYS  15  -2.050  13.760  13.979
  122   1HD   LYS  15          HD2       LYS  15  -3.340  14.133  11.906
  123   2HD   LYS  15          HD1       LYS  15  -3.888  12.456  11.950
  124   1HE   LYS  15          HE2       LYS  15  -5.606  13.905  12.916
  125   2HE   LYS  15          HE1       LYS  15  -4.919  12.880  14.176
  126   1HZ   LYS  15          HZ1       LYS  15  -5.121  15.580  14.277
  127   2HZ   LYS  15          HZ2       LYS  15  -3.500  15.351  13.820
  128   3HZ   LYS  15          HZ3       LYS  15  -4.095  14.636  15.243
  129    H    GLN  16           HN       GLN  16   0.450   9.822  12.664
  130    HA   GLN  16           HA       GLN  16  -1.057   8.575  14.730
  131   1HB   GLN  16          HB2       GLN  16  -0.442   7.548  12.496
  132   2HB   GLN  16          HB1       GLN  16   1.189   7.323  13.130
  133   1HG   GLN  16          HG2       GLN  16   0.259   5.995  15.012
  134   2HG   GLN  16          HG1       GLN  16  -1.355   6.201  14.334
  135   1HE2  GLN  16          HE21      GLN  16  -1.026   3.650  14.392
  136   2HE2  GLN  16          HE22      GLN  16  -0.402   2.973  12.967
  137    H    HIS  17           HN       HIS  17   2.250   9.657  14.487
  138    HA   HIS  17           HA       HIS  17   3.231   8.139  16.712
  139   1HB   HIS  17          HB2       HIS  17   4.283  10.672  15.432
  140   2HB   HIS  17          HB1       HIS  17   5.154   9.706  16.621
  141    HD1  HIS  17           HD1      HIS  17   6.676   9.790  14.149
  142    HD2  HIS  17           HD2      HIS  17   3.503   7.114  14.543
  143    HE1  HIS  17           HE1      HIS  17   7.063   7.961  12.438
  144    HE2  HIS  17           HE2      HIS  17   5.137   6.323  12.667
  145    H    ILE  18           HN       ILE  18   2.344  11.587  16.362
  146    HA   ILE  18           HA       ILE  18   2.584  12.150  19.162
  147    HB   ILE  18           HB       ILE  18   1.594  14.305  18.614
  148   1HG1  ILE  18          HG12      ILE  18   0.861  12.938  16.019
  149   2HG1  ILE  18          HG11      ILE  18  -0.246  13.646  17.183
  150   1HG2  ILE  18          HG21      ILE  18   3.962  13.650  17.852
  151   2HG2  ILE  18          HG22      ILE  18   3.258  15.050  17.063
  152   3HG2  ILE  18          HG23      ILE  18   3.301  13.493  16.232
  153   1HD1  ILE  18          HD11      ILE  18   0.962  15.884  16.713
  154   2HD1  ILE  18          HD12      ILE  18  -0.110  15.264  15.458
  155   3HD1  ILE  18          HD13      ILE  18   1.635  15.075  15.296
  156    H    GLU  19           HN       GLU  19  -0.117  11.309  17.037
  157    HA   GLU  19           HA       GLU  19  -2.227  11.769  18.859
  158   1HB   GLU  19          HB2       GLU  19  -2.609  11.379  16.470
  159   2HB   GLU  19          HB1       GLU  19  -2.036   9.719  16.630
  160   1HG   GLU  19          HG2       GLU  19  -3.904   9.187  18.116
  161   2HG   GLU  19          HG1       GLU  19  -4.424  10.869  18.103
  162    H    MET  20           HN       MET  20  -0.605   8.676  18.072
  163    HA   MET  20           HA       MET  20  -1.552   7.576  20.670
  164   1HB   MET  20          HB2       MET  20  -0.636   6.173  18.147
  165   2HB   MET  20          HB1       MET  20  -1.078   5.360  19.648
  166   1HG   MET  20          HG2       MET  20  -3.340   6.556  19.478
  167   2HG   MET  20          HG1       MET  20  -2.860   7.014  17.843
  168   1HE   MET  20          HE1       MET  20  -2.913   3.910  15.773
  169   2HE   MET  20          HE2       MET  20  -1.588   4.925  16.338
  170   3HE   MET  20          HE3       MET  20  -3.113   5.666  15.858
  171    H    ASN  21           HN       ASN  21   1.247   7.169  18.492
  172    HA   ASN  21           HA       ASN  21   3.508   7.331  18.939
  173   1HB   ASN  21          HB2       ASN  21   2.692   8.945  20.921
  174   2HB   ASN  21          HB1       ASN  21   3.093   7.575  21.934
  175   1HD2  ASN  21          HD21      ASN  21   5.193   7.573  22.673
  176   2HD2  ASN  21          HD22      ASN  21   6.503   8.327  21.900
  177    H    GLN  22           HN       GLN  22   2.401   4.964  18.509
  178    HA   GLN  22           HA       GLN  22   2.420   3.001  20.415
  179   1HB   GLN  22          HB2       GLN  22   1.930   2.873  17.857
  180   2HB   GLN  22          HB1       GLN  22   3.640   2.491  17.686
  181   1HG   GLN  22          HG2       GLN  22   1.678   0.958  19.431
  182   2HG   GLN  22          HG1       GLN  22   2.236   0.444  17.841
  183   1HE2  GLN  22          HE21      GLN  22   2.796  -0.127  21.051
  184   2HE2  GLN  22          HE22      GLN  22   4.432  -0.570  20.979
  185    H    SER  23           HN       SER  23   5.198   4.339  18.668
  186    HA   SER  23           HA       SER  23   6.989   3.625  20.824
  187   1HB   SER  23          HB2       SER  23   7.270   2.287  18.125
  188   2HB   SER  23          HB1       SER  23   8.507   2.290  19.379
  189    HG   SER  23           HG       SER  23   7.440   0.526  19.913
  190    H    GLU  24           HN       GLU  24   6.703   6.084  20.396
  191    HA   GLU  24           HA       GLU  24   9.133   6.971  19.089
  192   1HB   GLU  24          HB2       GLU  24   7.197   6.808  17.311
  193   2HB   GLU  24          HB1       GLU  24   6.588   8.271  18.074
  194   1HG   GLU  24          HG2       GLU  24   7.999   9.027  16.287
  195   2HG   GLU  24          HG1       GLU  24   8.951   9.257  17.754
  196    H    ASP  25           HN       ASP  25   7.539   9.663  18.877
  197    HA   ASP  25           HA       ASP  25   7.274  10.346  21.717
  198   1HB   ASP  25          HB2       ASP  25   9.261  11.676  19.858
  199   2HB   ASP  25          HB1       ASP  25   8.832  12.255  21.467
  200    H    LYS  26           HN       LYS  26   7.197  13.058  21.482
  201    HA   LYS  26           HA       LYS  26   4.659  13.407  20.082
  202   1HB   LYS  26          HB2       LYS  26   5.067  14.227  22.415
  203   2HB   LYS  26          HB1       LYS  26   6.173  15.429  21.754
  204   1HG   LYS  26          HG2       LYS  26   4.340  16.344  20.364
  205   2HG   LYS  26          HG1       LYS  26   3.243  15.117  20.999
  206   1HD   LYS  26          HD2       LYS  26   3.622  16.002  23.293
  207   2HD   LYS  26          HD1       LYS  26   4.662  17.258  22.618
  208   1HE   LYS  26          HE2       LYS  26   2.794  18.109  21.283
  209   2HE   LYS  26          HE1       LYS  26   1.746  16.844  21.910
  210   1HZ   LYS  26          HZ1       LYS  26   1.300  18.693  23.228
  211   2HZ   LYS  26          HZ2       LYS  26   2.938  19.130  23.355
  212   3HZ   LYS  26          HZ3       LYS  26   2.353  17.765  24.180
  213    H    ILE  27           HN       ILE  27   6.426  16.302  20.257
  214    HA   ILE  27           HA       ILE  27   6.267  16.772  17.492
  215    HB   ILE  27           HB       ILE  27   6.420  18.483  19.335
  216   1HG1  ILE  27          HG12      ILE  27   8.419  18.825  17.070
  217   2HG1  ILE  27          HG11      ILE  27   6.678  18.980  16.872
  218   1HG2  ILE  27          HG21      ILE  27   9.419  18.081  19.098
  219   2HG2  ILE  27          HG22      ILE  27   8.468  17.352  20.392
  220   3HG2  ILE  27          HG23      ILE  27   8.548  19.107  20.240
  221   1HD1  ILE  27          HD11      ILE  27   7.035  20.699  18.948
  222   2HD1  ILE  27          HD12      ILE  27   7.123  21.169  17.256
  223   3HD1  ILE  27          HD13      ILE  27   8.603  20.837  18.146
  224    H    HIS  28           HN       HIS  28   8.805  15.434  19.513
  225    HA   HIS  28           HA       HIS  28  10.898  15.585  17.584
  226   1HB   HIS  28          HB2       HIS  28  11.240  15.255  20.030
  227   2HB   HIS  28          HB1       HIS  28  10.596  13.625  19.869
  228    HD1  HIS  28           HD1      HIS  28  12.244  11.843  19.245
  229    HD2  HIS  28           HD2      HIS  28  13.645  15.655  18.300
  230    HE1  HIS  28           HE1      HIS  28  14.616  11.547  18.409
  231    HE2  HIS  28           HE2      HIS  28  15.485  13.862  17.829
  232    H    ALA  29           HN       ALA  29   8.063  13.995  17.340
  233    HA   ALA  29           HA       ALA  29   8.814  11.395  16.474
  234   1HB   ALA  29          HB1       ALA  29   6.518  11.864  17.103
  235   2HB   ALA  29          HB2       ALA  29   6.557  11.375  15.409
  236   3HB   ALA  29          HB3       ALA  29   6.382  13.079  15.830
  237    H    MET  30           HN       MET  30   8.191  14.430  14.725
  238    HA   MET  30           HA       MET  30   8.596  13.392  12.129
  239   1HB   MET  30          HB2       MET  30   9.252  15.946  11.720
  240   2HB   MET  30          HB1       MET  30   7.582  15.508  12.081
  241   1HG   MET  30          HG2       MET  30   7.696  16.314  14.277
  242   2HG   MET  30          HG1       MET  30   9.441  16.083  14.384
  243   1HE   MET  30          HE1       MET  30  11.148  17.376  12.969
  244   2HE   MET  30          HE2       MET  30  10.930  18.109  14.554
  245   3HE   MET  30          HE3       MET  30  11.072  19.134  13.133
  246    H    ASN  31           HN       ASN  31  10.829  14.923  14.457
  247    HA   ASN  31           HA       ASN  31  13.091  15.093  12.844
  248   1HB   ASN  31          HB2       ASN  31  12.960  16.008  15.130
  249   2HB   ASN  31          HB1       ASN  31  12.970  14.371  15.779
  250   1HD2  ASN  31          HD21      ASN  31  15.030  14.913  16.907
  251   2HD2  ASN  31          HD22      ASN  31  16.484  14.938  16.032
  252    H    SER  32           HN       SER  32  12.037  12.345  14.867
  253    HA   SER  32           HA       SER  32  14.179  10.631  14.116
  254   1HB   SER  32          HB2       SER  32  12.983  10.037  16.083
  255   2HB   SER  32          HB1       SER  32  11.431  10.148  15.257
  256    HG   SER  32           HG       SER  32  12.757   7.997  15.611
  257    H    TYR  33           HN       TYR  33  10.777  10.718  13.031
  258    HA   TYR  33           HA       TYR  33  11.009   8.744  11.037
  259   1HB   TYR  33          HB2       TYR  33   8.837   9.468  11.854
  260   2HB   TYR  33          HB1       TYR  33   9.119  11.111  11.273
  261    HD1  TYR  33           HD2      TYR  33   8.382   7.624  10.272
  262    HD2  TYR  33           HD1      TYR  33   9.050  11.638   8.896
  263    HE1  TYR  33           HE2      TYR  33   7.516   6.999   8.032
  264    HE2  TYR  33           HE1      TYR  33   8.181  11.013   6.655
  265    HH   TYR  33           HH       TYR  33   7.430   7.673   5.840
  266    H    TYR  34           HN       TYR  34  11.266  12.288  10.849
  267    HA   TYR  34           HA       TYR  34  11.645  12.521   8.087
  268   1HB   TYR  34          HB2       TYR  34  11.202  14.444   9.597
  269   2HB   TYR  34          HB1       TYR  34  12.819  14.265  10.278
  270    HD1  TYR  34           HD2      TYR  34  14.839  14.535   8.768
  271    HD2  TYR  34           HD1      TYR  34  10.862  15.575   7.514
  272    HE1  TYR  34           HE2      TYR  34  15.776  15.874   6.907
  273    HE2  TYR  34           HE1      TYR  34  11.802  16.918   5.653
  274    HH   TYR  34           HH       TYR  34  14.132  18.150   5.273
  275    H    ARG  35           HN       ARG  35  13.962  12.005  10.731
  276    HA   ARG  35           HA       ARG  35  16.281  12.128   9.116
  277   1HB   ARG  35          HB2       ARG  35  16.316  12.400  11.574
  278   2HB   ARG  35          HB1       ARG  35  15.912  10.691  11.744
  279   1HG   ARG  35          HG2       ARG  35  17.966  10.045  10.589
  280   2HG   ARG  35          HG1       ARG  35  18.349  11.736  10.270
  281   1HD   ARG  35          HD2       ARG  35  18.418  12.131  12.734
  282   2HD   ARG  35          HD1       ARG  35  18.172  10.405  12.986
  283    HE   ARG  35           HE       ARG  35  20.625  11.695  12.195
  284   1HH1  ARG  35          HH21      ARG  35  18.723   8.812  11.982
  285   2HH1  ARG  35          HH22      ARG  35  20.083   7.770  11.732
  286   1HH2  ARG  35          HH11      ARG  35  22.413  10.335  11.878
  287   2HH2  ARG  35          HH12      ARG  35  22.172   8.632  11.673
  288    H    SER  36           HN       SER  36  14.000   9.600   9.912
  289    HA   SER  36           HA       SER  36  15.604   7.400   9.030
  290   1HB   SER  36          HB2       SER  36  13.701   7.094  10.566
  291   2HB   SER  36          HB1       SER  36  12.598   7.607   9.293
  292    HG   SER  36           HG       SER  36  12.989   5.789   8.197
  293    H    VAL  37           HN       VAL  37  13.093   9.394   7.514
  294    HA   VAL  37           HA       VAL  37  13.016   7.915   5.069
  295    HB   VAL  37           HB       VAL  37  12.246  10.777   5.725
  296   1HG1  VAL  37          HG11      VAL  37  12.672  10.763   3.345
  297   2HG1  VAL  37          HG12      VAL  37  10.931  10.671   3.560
  298   3HG1  VAL  37          HG13      VAL  37  11.841   9.216   3.154
  299   1HG2  VAL  37          HG21      VAL  37  10.860   9.135   6.843
  300   2HG2  VAL  37          HG22      VAL  37  10.664   8.216   5.348
  301   3HG2  VAL  37          HG23      VAL  37   9.939   9.814   5.503
  302    H    VAL  38           HN       VAL  38  14.424  11.142   5.707
  303    HA   VAL  38           HA       VAL  38  15.743  11.508   3.317
  304    HB   VAL  38           HB       VAL  38  15.661  13.207   5.106
  305   1HG1  VAL  38          HG11      VAL  38  16.993  13.055   7.074
  306   2HG1  VAL  38          HG12      VAL  38  17.916  11.686   6.452
  307   3HG1  VAL  38          HG13      VAL  38  16.233  11.473   6.912
  308   1HG2  VAL  38          HG21      VAL  38  17.431  13.229   3.263
  309   2HG2  VAL  38          HG22      VAL  38  18.557  12.584   4.443
  310   3HG2  VAL  38          HG23      VAL  38  17.820  14.168   4.698
  311    H    SER  39           HN       SER  39  16.879   9.668   6.131
  312    HA   SER  39           HA       SER  39  19.481   9.096   5.323
  313   1HB   SER  39          HB2       SER  39  17.489   7.428   6.869
  314   2HB   SER  39          HB1       SER  39  19.178   6.965   6.674
  315    HG   SER  39           HG       SER  39  19.467   8.220   8.335
  316    H    THR  40           HN       THR  40  16.491   7.304   4.588
  317    HA   THR  40           HA       THR  40  17.877   5.491   2.777
  318    HB   THR  40           HB       THR  40  14.927   5.840   3.385
  319    HG1  THR  40           HG1      THR  40  16.999   4.245   4.423
  320   1HG2  THR  40          HG21      THR  40  15.117   4.774   1.244
  321   2HG2  THR  40          HG22      THR  40  14.850   3.481   2.412
  322   3HG2  THR  40          HG23      THR  40  16.471   3.775   1.783
  323    H    LEU  41           HN       LEU  41  15.862   8.364   2.594
  324    HA   LEU  41           HA       LEU  41  15.103   8.254  -0.094
  325   1HB   LEU  41          HB2       LEU  41  14.584   9.995   1.872
  326   2HB   LEU  41          HB1       LEU  41  15.870  10.913   1.101
  327    HG   LEU  41           HG       LEU  41  13.324   9.942  -0.176
  328   1HD1  LEU  41          HD11      LEU  41  14.291  12.772   0.230
  329   2HD1  LEU  41          HD12      LEU  41  13.191  11.950   1.336
  330   3HD1  LEU  41          HD13      LEU  41  12.703  12.251  -0.331
  331   1HD2  LEU  41          HD21      LEU  41  15.818  11.199  -1.348
  332   2HD2  LEU  41          HD22      LEU  41  14.261  11.430  -2.130
  333   3HD2  LEU  41          HD23      LEU  41  14.903   9.807  -1.931
  334    H    VAL  42           HN       VAL  42  18.070   9.598   1.357
  335    HA   VAL  42           HA       VAL  42  19.205  10.485  -1.103
  336    HB   VAL  42           HB       VAL  42  20.439   9.840   1.596
  337   1HG1  VAL  42          HG11      VAL  42  21.638  10.991  -0.949
  338   2HG1  VAL  42          HG12      VAL  42  22.292   9.736   0.101
  339   3HG1  VAL  42          HG13      VAL  42  22.305  11.415   0.632
  340   1HG2  VAL  42          HG21      VAL  42  20.444  12.319   1.798
  341   2HG2  VAL  42          HG22      VAL  42  18.817  11.667   1.606
  342   3HG2  VAL  42          HG23      VAL  42  19.625  12.432   0.239
  343    H    GLN  43           HN       GLN  43  18.564   7.424  -0.020
  344    HA   GLN  43           HA       GLN  43  20.827   6.206  -1.535
  345   1HB   GLN  43          HB2       GLN  43  20.711   5.610   0.878
  346   2HB   GLN  43          HB1       GLN  43  19.093   4.958   0.614
  347   1HG   GLN  43          HG2       GLN  43  19.936   3.289  -0.915
  348   2HG   GLN  43          HG1       GLN  43  21.541   4.016  -0.908
  349   1HE2  GLN  43          HE21      GLN  43  21.060   1.273  -0.170
  350   2HE2  GLN  43          HE22      GLN  43  21.446   1.104   1.475
  351    H    ASP  44           HN       ASP  44  17.335   6.091  -0.934
  352    HA   ASP  44           HA       ASP  44  16.540   3.962  -2.463
  353   1HB   ASP  44          HB2       ASP  44  14.982   5.367  -1.163
  354   2HB   ASP  44          HB1       ASP  44  15.180   6.671  -2.332
  355    H    GLN  45           HN       GLN  45  17.153   7.271  -3.587
  356    HA   GLN  45           HA       GLN  45  17.096   6.325  -6.389
  357   1HB   GLN  45          HB2       GLN  45  15.639   8.235  -5.715
  358   2HB   GLN  45          HB1       GLN  45  17.083   9.150  -5.299
  359   1HG   GLN  45          HG2       GLN  45  16.521   9.783  -7.520
  360   2HG   GLN  45          HG1       GLN  45  17.894   8.709  -7.676
  361   1HE2  GLN  45          HE21      GLN  45  14.296   8.561  -7.652
  362   2HE2  GLN  45          HE22      GLN  45  14.191   7.336  -8.822
  363    H    LEU  46           HN       LEU  46  18.818   9.177  -5.304
  364    HA   LEU  46           HA       LEU  46  21.025   9.745  -5.284
  365   1HB   LEU  46          HB2       LEU  46  21.073   7.223  -4.228
  366   2HB   LEU  46          HB1       LEU  46  22.044   6.938  -5.668
  367    HG   LEU  46           HG       LEU  46  22.576   9.098  -3.599
  368   1HD1  LEU  46          HD11      LEU  46  24.478   7.688  -2.948
  369   2HD1  LEU  46          HD12      LEU  46  24.004   6.483  -4.145
  370   3HD1  LEU  46          HD13      LEU  46  22.963   6.804  -2.758
  371   1HD2  LEU  46          HD21      LEU  46  24.146   8.157  -6.024
  372   2HD2  LEU  46          HD22      LEU  46  24.753   9.291  -4.818
  373   3HD2  LEU  46          HD23      LEU  46  23.376   9.734  -5.831
  374    H    THR  47           HN       THR  47  19.457   9.628  -7.664
  375    HA   THR  47           HA       THR  47  21.350   8.782  -9.765
  376    HB   THR  47           HB       THR  47  18.895   8.150  -9.845
  377    HG1  THR  47           HG1      THR  47  18.800   8.946 -12.124
  378   1HG2  THR  47          HG21      THR  47  18.193  10.575  -9.126
  379   2HG2  THR  47          HG22      THR  47  17.242   9.770 -10.377
  380   3HG2  THR  47          HG23      THR  47  18.452  10.968 -10.825
  381    H    LYS  48           HN       LYS  48  20.098  11.580  -8.184
  382    HA   LYS  48           HA       LYS  48  21.999  13.295  -9.473
  383   1HB   LYS  48          HB2       LYS  48  20.467  13.285 -11.306
  384   2HB   LYS  48          HB1       LYS  48  19.086  13.505 -10.242
  385   1HG   LYS  48          HG2       LYS  48  19.536  15.767  -9.864
  386   2HG   LYS  48          HG1       LYS  48  21.259  15.610 -10.173
  387   1HD   LYS  48          HD2       LYS  48  19.291  15.162 -12.437
  388   2HD   LYS  48          HD1       LYS  48  19.722  16.808 -11.963
  389   1HE   LYS  48          HE2       LYS  48  22.082  16.353 -12.316
  390   2HE   LYS  48          HE1       LYS  48  21.748  14.661 -12.671
  391