*HEADER    HORMONE/GROWTH FACTOR                   18-AUG-00   1FMM              
*TITLE     SOLUTION STRUCTURE OF NFGF-1                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACIDIC FIBROBLAST GROWTH FACTOR;                           
*COMPND   3 CHAIN: S;                                                            
*COMPND   4 SYNONYM: NFGF-1;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NOTOPHTHALMUS VIRIDESCENS;                      
*SOURCE   3 ORGANISM_COMMON: EASTERN NEWT;                                       
*SOURCE   4 CELL: FIBROBLAST;                                                    
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET21B                                    
*KEYWDS    GROWTH FACTOR, TRIPLE RESONANCE, MITOGEN, WOUND HEALING               
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    A.I.ARUNKUMAR, S.SRISAILAM, T.K.S.KUMAR, I.M.CHIU, C.YU               
*REVDAT   1   18-AUG-02 1FMM    0                                                
!this  include fgftable6 and 15 additional constraints pooled from 13C noesy
!from problematic loop.
!K26/4
assign (resid    4 and  name HA    )(resid    4 and  name HN   ) 3.0 1.2 0.5
assign (resid    3 and  name HA    )(resid    4 and  name HN   ) 2.2 0.4 0.3
assign (resid    3 and  name HG#   )(resid    4 and  name HN   ) 3.0 1.2 1.0
assign (resid  127 and  name HG    )(resid    4 and  name HN   ) 4.0 2.2 1.0
assign (resid    3 and  name HB#   )(resid    4 and  name HN   ) 3.0 1.2 1.0
assign (resid  129 and  name HG*   )(resid    4 and  name HN   ) 4.0 2.2 2.5
!L27/5
assign (resid  127 and  name HN    )(resid    5 and  name HN   ) 4.0 2.2 1.0
assign (resid  126 and  name HA    )(resid    5 and  name HN   ) 5.0 3.2 1.0
assign (resid    4 and  name HA    )(resid    5 and  name HN   ) 2.2 0.4 0.3
assign (resid    5 and  name HA    )(resid    5 and  name HN   ) 3.0 1.2 0.5
assign (resid  128 and  name HA    )(resid    5 and  name HN   ) 5.0 3.2 1.0
assign (resid  128 and  name HD#   )(resid    5 and  name HN   ) 5.0 3.2 1.5
assign (resid    5 and  name HB#   )(resid    5 and  name HN   ) 3.0 1.2 1.0
assign (resid    5 and  name HG    )(resid    5 and  name HN   ) 3.0 1.2 0.5
assign (resid    5 and  name HD*   )(resid    5 and  name HN   ) 3.0 1.2 1.5
assign (resid  127 and  name HD*   )(resid    5 and  name HN   ) 3.0 1.2 1.5
!L28/6
assign (resid    5 and  name HN    )(resid    6 and  name HN   ) 5.0 3.2 1.0
assign (resid    7 and  name HN    )(resid    6 and  name HN   ) 5.0 3.2 1.0
assign (resid   14 and  name HD#   )(resid    6 and  name HN   ) 4.0 2.2 3.0
assign (resid    5 and  name HA    )(resid    6 and  name HN   ) 2.2 0.4 0.3
assign (resid    6 and  name HA    )(resid    6 and  name HN   ) 3.0 1.2 0.5
assign (resid    6 and  name HB#   )(resid    6 and  name HN   ) 3.0 1.2 1.0
assign (resid    6 and  name HG    )(resid    6 and  name HN   ) 4.0 2.2 1.0
assign (resid    6 and  name HD*   )(resid    6 and  name HN   ) 3.0 1.2 2.0
!Y29/7
assign (resid  125 and  name HN    )(resid    7 and  name HN   ) 5.0 3.2 1.0
assign (resid   14 and  name HD#   )(resid    7 and  name HN   ) 4.0 2.2 3.0
assign (resid  124 and  name HD#   )(resid    7 and  name HN   ) 4.0 2.2 3.0
assign (resid    7 and  name HD#   )(resid    7 and  name HN   ) 4.0 2.2 3.0
assign (resid    7 and  name HE#   )(resid    7 and  name HN   ) 4.0 2.2 3.0
assign (resid  126 and  name HA    )(resid    7 and  name HN   ) 4.0 2.2 1.0
assign (resid    6 and  name HA    )(resid    7 and  name HN   ) 3.0 1.2 0.5
assign (resid    7 and  name HA    )(resid    7 and  name HN   ) 3.0 1.2 0.5
assign (resid    7 and  name HB#   )(resid    7 and  name HN   ) 3.0 1.2 1.0
assign (resid    6 and  name HB#   )(resid    7 and  name HN   ) 4.0 2.2 1.5
assign (resid  127 and  name HD*   )(resid    7 and  name HN   ) 4.0 2.2 1.5
!C30/8
assign (resid    7 and  name HN    )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    9 and  name HN    )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid  124 and  name HD#   )(resid    8 and  name HN   ) 3.0 1.2 2.5
assign (resid    7 and  name HE#   )(resid    8 and  name HN   ) 4.0 2.2 3.0
assign (resid    7 and  name HD#   )(resid    8 and  name HN   ) 4.0 2.2 3.0
assign (resid   13 and  name HN    )(resid    8 and  name HN   ) 3.0 1.2 0.5
assign (resid   14 and  name HA    )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    7 and  name HA    )(resid    8 and  name HN   ) 3.0 1.2 0.5
assign (resid    8 and  name HA    )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    7 and  name HB#   )(resid    8 and  name HN   ) 4.0 2.2 1.5
assign (resid    8 and  name HB#   )(resid    8 and  name HN   ) 3.0 1.2 1.0
assign (resid  103 and  name HD#   )(resid    8 and  name HN   ) 3.0 1.2 2.0
assign (resid  103 and  name HG*   )(resid    8 and  name HN   ) 3.0 1.2 2.0
!S31/9
assign (resid  125 and  name HN    )(resid    9 and  name HN   ) 5.0 3.2 1.0
assign (resid   10 and  name HN    )(resid    9 and  name HN   ) 4.0 2.2 1.0
assign (resid  124 and  name HD#   )(resid    9 and  name HN   ) 5.0 3.2 3.0
assign (resid  123 and  name HN    )(resid    9 and  name HN   ) 5.0 3.2 1.0
assign (resid  124 and  name HA    )(resid    9 and  name HN   ) 4.0 2.2 1.0
assign (resid    8 and  name HA    )(resid    9 and  name HN   ) 2.2 0.4 0.3
assign (resid    9 and  name HA    )(resid    9 and  name HN   ) 3.0 1.2 0.5
assign (resid    9 and  name HB#   )(resid    9 and  name HN   ) 2.2 0.4 0.8
assign (resid  124 and  name HB#   )(resid    9 and  name HN   ) 5.0 3.2 1.5
assign (resid    8 and  name HB#   )(resid    9 and  name HN   ) 5.0 3.2 1.5
assign (resid  123 and  name HB#   )(resid    9 and  name HN   ) 4.0 2.2 1.5
!N32/10
assign (resid   10 and  name HD#   )(resid   10 and  name HN   ) 4.0 2.2 1.5
assign (resid   10 and  name HA    )(resid   10 and  name HN   ) 4.0 2.2 1.0
assign (resid    9 and  name HA    )(resid   10 and  name HN   ) 3.0 1.2 0.5
assign (resid    9 and  name HB#   )(resid   10 and  name HN   ) 4.0 2.2 1.5
assign (resid   10 and  name HB#   )(resid   10 and  name HN   ) 3.0 1.2 1.0
assign (resid    8 and  name HB#   )(resid   10 and  name HN   ) 5.0 3.2 1.5
assign (resid  120 and  name HD#   )(resid   10 and  name HN   ) 4.0 2.2 1.5
assign (resid  110 and  name HG#   )(resid   10 and  name HN   ) 5.0 3.2 1.5
assign (resid  120 and  name HG#   )(resid   10 and  name HN   ) 5.0 3.2 1.5
!G33/11
assign (resid   12 and  name HN    )(resid   11 and  name HN   ) 2.2 0.4 0.3
assign (resid    9 and  name HB#   )(resid   11 and  name HN   ) 4.0 2.2 1.5
assign (resid   10 and  name HA    )(resid   11 and  name HN   ) 2.2 0.4 0.3
assign (resid   11 and  name HA#   )(resid   11 and  name HN   ) 2.2 0.4 0.8
assign (resid   10 and  name HB#   )(resid   11 and  name HN   ) 3.0 1.2 1.0
!G34/12
assign (resid   13 and  name HN    )(resid   12 and  name HN   ) 2.2 0.4 0.3
assign (resid   10 and  name HA    )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HA#   )(resid   12 and  name HN   ) 4.0 2.2 1.5
assign (resid    9 and  name HA    )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HA#   )(resid   12 and  name HN   ) 2.2 0.4 0.8
assign (resid  103 and  name HD#   )(resid   12 and  name HN   ) 5.0 3.2 2.0
assign (resid    8 and  name HB#   )(resid   12 and  name HN   ) 4.0 2.2 1.5
!Y35/13
assign (resid   11 and  name HN    )(resid   13 and  name HN   ) 5.0 3.2 1.0
assign (resid   13 and  name HD#   )(resid   13 and  name HN   ) 4.0 2.2 3.0
assign (resid   13 and  name HE#   )(resid   13 and  name HN   ) 4.0 2.2 3.0
assign (resid   13 and  name HA    )(resid   13 and  name HN   ) 3.0 1.2 0.5
assign (resid   12 and  name HA#   )(resid   13 and  name HN   ) 3.0 1.2 0.5
assign (resid   13 and  name HB#   )(resid   13 and  name HN   ) 3.0 1.2 1.0
assign (resid  103 and  name HD*   )(resid   13 and  name HN   ) 3.0 1.2 1.5
!F36/14
assign (resid   26 and  name HN    )(resid   14 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HN    )(resid   14 and  name HN   ) 5.0 3.2 1.0
assign (resid   14 and  name HD#   )(resid   14 and  name HN   ) 3.0 1.2 2.5
assign (resid   13 and  name HD#   )(resid   14 and  name HN   ) 4.0 2.2 3.0
assign (resid   14 and  name HA    )(resid   14 and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HA    )(resid   14 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HA    )(resid   14 and  name HN   ) 2.2 0.4 0.3
assign (resid   14 and  name HB#   )(resid   14 and  name HN   ) 3.0 1.2 1.0
assign (resid   13 and  name HB#   )(resid   14 and  name HN   ) 4.0 2.2 1.5
assign (resid   26 and  name HG#   )(resid   14 and  name HN   ) 4.0 2.2 2.0
assign (resid  103 and  name HD*   )(resid   14 and  name HN   ) 4.0 2.2 2.0
!*L37/15
assign (resid    6 and  name HN    )(resid   15 and  name HN   ) 5.0 3.2 1.0
assign (resid   14 and  name HD#   )(resid   15 and  name HN   ) 3.0 1.2 2.5
assign (resid   14 and  name HA    )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HA    )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HB#   )(resid   15 and  name HN   ) 4.0 2.2 1.5
assign (resid   15 and  name HB#   )(resid   15 and  name HN   ) 3.0 1.2 1.0
assign (resid   15 and  name HG    )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HD*   )(resid   15 and  name HN   ) 3.0 1.2 1.5
!R38/16
assign (resid   15 and  name HN    )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HN    )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HA    )(resid   16 and  name HN   ) 3.0 1.2 0.5
!I39/17
assign (resid   16 and  name HA    )(resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   23 and  name HA    )(resid   17 and  name HN   ) 5.0 3.2 1.0
assign (resid   17 and  name HA    )(resid   17 and  name HN   ) 4.0 2.2 1.0
!F40/18
assign (resid   23 and  name HN    )(resid   18 and  name HN   ) 5.0 3.2 1.0
assign (resid   22 and  name HN    )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HN    )(resid   18 and  name HN   ) 3.5 1.7 0.5
assign (resid   23 and  name HA    )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HA    )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   18 and  name HA    )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HB#   )(resid   18 and  name HN   ) 3.0 1.2 1.0
assign (resid   22 and  name HB#   )(resid   18 and  name HN   ) 4.0 2.2 1.5
assign (resid   16 and  name HG#   )(resid   18 and  name HN   ) 5.0 3.2 1.5
assign (resid   17 and  name HD#   )(resid   18 and  name HN   ) 4.0 2.2 1.5
assign (resid   17 and  name HG*   )(resid   18 and  name HN   ) 4.0 2.2 2.0
!D42/20
assign (resid   20 and  name HA    )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   20 and  name HB#   )(resid   20 and  name HN   ) 5.0 3.2 1.5
assign (resid   19 and  name HA    )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   19 and  name HG#   )(resid   20 and  name HN   ) 5.0 3.2 1.5
!G43/21
assign (resid   22 and  name HN    )(resid   21 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HA    )(resid   21 and  name HN   ) 2.2 0.4 0.5
assign (resid   21 and  name HA#   )(resid   21 and  name HN   ) 2.2 0.4 1.0
assign (resid   20 and  name HB#   )(resid   21 and  name HN   ) 3.0 1.2 1.0
assign (resid   19 and  name HG#   )(resid   21 and  name HN   ) 4.0 2.2 1.5
assign (resid   67 and  name HB#   )(resid   21 and  name HN   ) 4.0 2.2 1.5
assign (resid   17 and  name HG*   )(resid   21 and  name HN   ) 4.5 2.7 1.5
!K44/22
assign (resid   18 and  name HN    )(resid   22 and  name HN   ) 5.0 3.2 1.0
assign (resid   21 and  name HN    )(resid   22 and  name HN   ) 3.0 1.2 0.5
assign (resid   21 and  name HA#   )(resid   22 and  name HN   ) 3.0 1.2 1.0
assign (resid   22 and  name HA    )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HB#   )(resid   22 and  name HN   ) 4.0 2.2 1.5
assign (resid   22 and  name HB#   )(resid   22 and  name HN   ) 3.0 1.2 1.0
assign (resid   22 and  name HD#   )(resid   22 and  name HN   ) 3.0 1.2 1.0
assign (resid   22 and  name HG#   )(resid   22 and  name HN   ) 3.0 1.2 1.0
!V45/23
assign (resid   24 and  name HN    )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HN    )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HA    )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HA    )(resid   23 and  name HN   ) 2.2 0.4 0.3
assign (resid   22 and  name HB#   )(resid   23 and  name HN   ) 3.0 1.2 1.0
assign (resid   23 and  name HB#   )(resid   23 and  name HN   ) 3.0 1.2 1.0
assign (resid   22 and  name HG#   )(resid   23 and  name HN   ) 4.0 2.2 1.5
assign (resid   23 and  name HG*   )(resid   23 and  name HN   ) 3.0 1.8 1.0
!D46/24
assign (resid   16 and  name HN    )(resid   24 and  name HN   ) 5.0 3.2 1.0
assign (resid   25 and  name HN    )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HA    )(resid   24 and  name HN   ) 2.2 0.4 0.3
assign (resid   17 and  name HA    )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   24 and  name HA    )(resid   24 and  name HN   ) 3.0 1.2 0.5
assign (resid   24 and  name HB#   )(resid   24 and  name HN   ) 4.0 2.2 1.5
assign (resid   16 and  name HB#   )(resid   24 and  name HN   ) 5.0 3.2 1.5
assign (resid   23 and  name HB    )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HG#   )(resid   24 and  name HN   ) 5.0 3.2 1.5
assign (resid  109 and  name HG#   )(resid   24 and  name HN   ) 4.0 2.2 1.5
assign (resid   23 and  name HG*   )(resid   24 and  name HN   ) 2.2 0.4 1.3
!G47/25
assign (resid   26 and  name HN    )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HD#   )(resid   25 and  name HN   ) 5.0 3.2 1.0
assign (resid   25 and  name HA#   )(resid   25 and  name HN   ) 3.0 1.2 1.0
assign (resid  108 and  name HA    )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   24 and  name HB#   )(resid   25 and  name HN   ) 3.0 1.2 1.0
assign (resid   24 and  name HA    )(resid   25 and  name HN   ) 3.0 1.2 0.5
assign (resid  107 and  name HA#   )(resid   25 and  name HN   ) 5.0 2.2 1.0
assign (resid  109 and  name HG#   )(resid   25 and  name HN   ) 4.0 2.2 2.0
assign (resid  103 and  name HD#   )(resid   25 and  name HN   ) 4.0 2.2 2.0
!T48/26
assign (resid   14 and  name HN    )(resid   26 and  name HN   ) 3.0 1.2 0.5
assign (resid   14 and  name HD#   )(resid   26 and  name HN   ) 4.0 2.2 2.5
assign (resid   13 and  name HD#   )(resid   26 and  name HN   ) 3.0 1.2 2.0
assign (resid   25 and  name HA#   )(resid   26 and  name HN   ) 2.2 0.4 0.8
assign (resid   26 and  name HA    )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HA    )(resid   26 and  name HN   ) 5.0 3.2 1.0
assign (resid   13 and  name HA    )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HB#   )(resid   26 and  name HN   ) 4.0 2.2 1.5
assign (resid   16 and  name HG#   )(resid   26 and  name HN   ) 4.0 2.2 2.0
assign (resid  103 and  name HD*   )(resid   26 and  name HN   ) 3.0 1.2 1.5
!R49/27
assign (resid   28 and  name HN    )(resid   27 and  name HN   ) 3.0 1.2 0.5
assign (resid   13 and  name HD#   )(resid   27 and  name HN   ) 3.0 1.2 2.5
assign (resid   26 and  name HA    )(resid   27 and  name HN   ) 3.0 1.2 0.5
assign (resid   27 and  name HA    )(resid   27 and  name HN   ) 3.0 1.2 0.5
assign (resid   27 and  name HB#   )(resid   27 and  name HN   ) 3.0 1.2 1.0
assign (resid   27 and  name HD#   )(resid   27 and  name HN   ) 4.0 2.2 1.5
assign (resid   13 and  name HB#   )(resid   27 and  name HN   ) 5.0 3.2 1.5
assign (resid   27 and  name HG#   )(resid   27 and  name HN   ) 3.0 1.2 1.0
assign (resid   26 and  name HG#   )(resid   27 and  name HN   ) 4.0 2.2 2.0
assign (resid  103 and  name HD*   )(resid   27 and  name HN   ) 5.0 3.2 1.5
!D50/28
assign (resid   31 and  name HN    )(resid   28 and  name HN   ) 5.0 3.2 1.0
assign (resid   13 and  name HD#   )(resid   28 and  name HN   ) 5.0 3.2 3.0
assign (resid   26 and  name HA    )(resid   28 and  name HN   ) 5.0 3.2 1.0
assign (resid   27 and  name HA    )(resid   28 and  name HN   ) 3.0 1.2 0.5
assign (resid   28 and  name HA    )(resid   28 and  name HN   ) 3.0 1.2 0.5
assign (resid   28 and  name HB#   )(resid   28 and  name HN   ) 3.0 1.2 1.0
assign (resid   27 and  name HB#   )(resid   28 and  name HN   ) 4.0 2.2 1.5
assign (resid   26 and  name HG#   )(resid   28 and  name HN   ) 4.0 2.2 2.0
!R51/29
assign (resid   27 and  name HA    )(resid   29 and  name HN   ) 3.5 1.7 0.5
assign (resid   28 and  name HB#   )(resid   29 and  name HN   ) 4.0 2.2 1.5
assign (resid   29 and  name HB#   )(resid   29 and  name HN   ) 2.2 0.4 0.8
assign (resid   29 and  name HG#   )(resid   29 and  name HN   ) 2.2 0.4 0.8
!S52/30
assign (resid   31 and  name HN    )(resid   30 and  name HN   ) 2.2 0.4 0.3
assign (resid   28 and  name HA    )(resid   30 and  name HN   ) 3.0 1.2 0.5
assign (resid   30 and  name HA    )(resid   30 and  name HN   ) 2.2 0.4 0.3
assign (resid   30 and  name HB#   )(resid   30 and  name HN   ) 2.2 0.4 0.8
assign (resid   29 and  name HA    )(resid   30 and  name HN   ) 5.0 3.2 1.0
assign (resid   28 and  name HB#   )(resid   30 and  name HN   ) 3.0 1.2 1.0
assign (resid   29 and  name HB#   )(resid   30 and  name HN   ) 3.0 1.2 1.0
assign (resid   26 and  name HG#   )(resid   30 and  name HN   ) 5.0 3.2 2.0
assign (resid   34 and  name HD#   )(resid   30 and  name HN   ) 4.0 2.2 2.0
!D53/31
assign (resid   33 and  name HN    )(resid   31 and  name HN   ) 5.0 3.2 1.0
assign (resid   31 and  name HA    )(resid   31 and  name HN   ) 3.0 1.2 1.0
assign (resid   30 and  name HA    )(resid   31 and  name HN   ) 3.0 1.2 1.0
assign (resid   32 and  name HD#   )(resid   31 and  name HN   ) 4.0 2.2 1.5
assign (resid   30 and  name HB#   )(resid   31 and  name HN   ) 4.0 2.2 1.5
assign (resid   29 and  name HA    )(resid   31 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HB#   )(resid   31 and  name HN   ) 3.0 1.2 1.5
assign (resid   28 and  name HB#   )(resid   31 and  name HN   ) 3.0 1.2 1.5
assign (resid   29 and  name HB#   )(resid   31 and  name HN   ) 4.0 2.2 1.5
assign (resid   29 and  name HG#   )(resid   31 and  name HN   ) 4.0 2.2 1.5
assign (resid   34 and  name HG*   )(resid   31 and  name HN   ) 4.0 2.2 2.0
assign (resid   34 and  name HD#   )(resid   31 and  name HN   ) 4.0 2.2 2.0
!Y55/33
assign (resid   33 and  name HD#   )(resid   33 and  name HN   ) 4.0 2.2 3.0
assign (resid   34 and  name HN    )(resid   33 and  name HN   ) 3.0 1.2 0.5
assign (resid   33 and  name HA    )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HA    )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA    )(resid   33 and  name HN   ) 5.0 3.2 1.0
assign (resid   33 and  name HB#   )(resid   33 and  name HN   ) 3.0 1.2 1.0
assign (resid   32 and  name HB#   )(resid   33 and  name HN   ) 4.0 2.2 1.5
assign (resid   26 and  name HG#   )(resid   33 and  name HN   ) 5.0 3.2 2.0
assign (resid   34 and  name HG*   )(resid   33 and  name HN   ) 4.0 2.2 2.0
assign (resid   32 and  name HG#   )(resid   33 and  name HN   ) 4.0 2.2 1.5
assign (resid   34 and  name HD#   )(resid   33 and  name HN   ) 4.0 2.2 2.0
!I56/34
assign (resid   35 and  name HN    )(resid   34 and  name HN   ) 4.0 2.2 1.0
assign (resid   34 and  name HA    )(resid   34 and  name HN   ) 5.0 3.2 1.0
assign (resid   33 and  name HA    )(resid   34 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA    )(resid   34 and  name HN   ) 5.0 3.2 1.0
assign (resid   33 and  name HB#   )(resid   34 and  name HN   ) 5.0 3.2 1.5
assign (resid   34 and  name HB#   )(resid   34 and  name HN   ) 4.0 2.2 1.5
assign (resid   34 and  name HG*   )(resid   34 and  name HN   ) 4.0 2.2 2.0
assign (resid   34 and  name HD#   )(resid   34 and  name HN   ) 4.0 2.2 2.0
!Q57/35
assign (resid   36 and  name HN    )(resid   35 and  name HN   ) 4.0 2.2 0.5
assign (resid   34 and  name HA    )(resid   35 and  name HN   ) 5.0 3.2 1.0
assign (resid   33 and  name HA    )(resid   35 and  name HN   ) 3.0 1.2 0.5
assign (resid   35 and  name HA    )(resid   35 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HG#   )(resid   35 and  name HN   ) 3.0 1.2 1.0
assign (resid   34 and  name HG*   )(resid   35 and  name HN   ) 3.0 1.2 1.5
assign (resid   34 and  name HD#   )(resid   35 and  name HN   ) 3.0 1.2 1.5
assign (resid   35 and  name HB#   )(resid   35 and  name HN   ) 3.0 1.2 1.0
!L58/36
assign (resid   51 and  name HN    )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HA    )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HA    )(resid   36 and  name HN   ) 3.0 1.2 0.5
assign (resid   35 and  name HB#   )(resid   36 and  name HN   ) 3.0 1.2 1.0
assign (resid   35 and  name HG#   )(resid   36 and  name HN   ) 3.0 1.2 1.0
!Q59/37
assign (resid   36 and  name HA    )(resid   37 and  name HN   ) 3.0 1.2 1.0
assign (resid   37 and  name HA    )(resid   37 and  name HN   ) 4.0 2.2 1.0
!F60/38                
assign (resid   38 and  name HD#   )(resid   38 and  name HN   ) 3.0 1.2 3.0
assign (resid   38 and  name HA    )(resid   38 and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HA    )(resid   38 and  name HN   ) 2.2 0.4 0.3
assign (resid   38 and  name HB#   )(resid   38 and  name HN   ) 2.2 0.4 0.8
assign (resid   37 and  name HG#   )(resid   38 and  name HN   ) 3.0 1.2 1.0
assign (resid    4 and  name HG#   )(resid   38 and  name HN   ) 4.0 2.2 1.5
!Y61/39
assign (resid   40 and  name HN    )(resid   39 and  name HN   ) 4.0 2.2 1.0                               
assign (resid   39 and  name HD#   )(resid   39 and  name HN   ) 3.0 1.2 3.0                               
assign (resid   38 and  name HA    )(resid   39 and  name HN   ) 2.2 0.4 0.3                               
assign (resid   39 and  name HA    )(resid   39 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   48 and  name HA    )(resid   39 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   39 and  name HB#   )(resid   39 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   46 and  name HB    )(resid   39 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   46 and  name HG*   )(resid   39 and  name HN   ) 4.0 2.2 2.0                                
assign (resid   48 and  name HG*   )(resid   39 and  name HN   ) 5.0 3.2 2.0                               
assign (resid   38 and  name HB#   )(resid   39 and  name HN   ) 3.0 1.2 1.5                               
!A62/40
assign (resid   39 and  name HD#   )(resid   40 and  name HN   ) 4.0 2.2 1.0                               
assign (resid   46 and  name HA    )(resid   40 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   40 and  name HA    )(resid   40 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   39 and  name HA    )(resid   40 and  name HN   ) 2.2 0.4 0.3                                
assign (resid   39 and  name HB#   )(resid   40 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   40 and  name HB#   )(resid   40 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   46 and  name HG*   )(resid   40 and  name HN   ) 5.0 3.2 2.0                                
!E63/41
assign (resid   40 and  name HN    )(resid   41 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   42 and  name HN    )(resid   41 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   46 and  name HA    )(resid   41 and  name HN   ) 3.5 1.7 1.0                                
assign (resid   40 and  name HA    )(resid   41 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   41 and  name HA    )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HG#   )(resid   41 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   41 and  name HB#   )(resid   41 and  name HN   ) 3.0 1.2 1.0                               
assign (resid   40 and  name HB#   )(resid   41 and  name HN   ) 3.0 1.2 1.5                                
assign (resid   46 and  name HG*   )(resid   41 and  name HN   ) 5.0 3.2 2.0                                
!S64/42
assign (resid   40 and  name HA    )(resid   42 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   41 and  name HA    )(resid   42 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   42 and  name HA    )(resid   42 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   42 and  name HB#   )(resid   42 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   41 and  name HG#   )(resid   42 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   41 and  name HB#   )(resid   42 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   40 and  name HB#   )(resid   42 and  name HN   ) 3.0 1.2 2.0                                
assign (resid   43 and  name HG*   )(resid   42 and  name HN   ) 4.0 2.2 2.0                                
!V65/43
assign (resid   44 and  name HN    )(resid   43 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   42 and  name HA    )(resid   43 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   42 and  name HB#   )(resid   43 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   43 and  name HB    )(resid   43 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   43 and  name HG*   )(resid   43 and  name HN   ) 3.0 1.2 1.5                                
!G66/44
assign (resid   45 and  name HN    )(resid   44 and  name HN   ) 2.2 0.4 0.3                                
assign (resid   44 and  name HA#   )(resid   44 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   43 and  name HB#   )(resid   44 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   43 and  name HG*   )(resid   44 and  name HN   ) 2.2 0.4 1.3                                
assign (resid   40 and  name HB#   )(resid   44 and  name HN   ) 5.0 3.2 2.0                                
!E67/45
assign (resid   46 and  name HN    )(resid   45 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   45 and  name HA    )(resid   45 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   44 and  name HA#   )(resid   45 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   45 and  name HB#   )(resid   45 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   40 and  name HB#   )(resid   45 and  name HN   ) 4.0 2.2 2.0                                
assign (resid   43 and  name HG*   )(resid   45 and  name HN   ) 3.0 1.2 1.5                                
!V68/46
assign (resid   77 and  name HN    )(resid   46 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   46 and  name HA    )(resid   46 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   45 and  name HA    )(resid   46 and  name HN   ) 2.2 0.4 0.3                                
assign (resid   78 and  name HA    )(resid   46 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   77 and  name HB#   )(resid   46 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   46 and  name HB    )(resid   46 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   45 and  name HB#   )(resid   46 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   46 and  name HG*   )(resid   46 and  name HN   ) 2.2 0.4 1.8                                
assign (resid   76 and  name HD*   )(resid   46 and  name HN   ) 4.0 2.2 2.5                                
!Y69/47
assign (resid   46 and  name HN    )(resid   47 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   47 and  name HD#   )(resid   47 and  name HN   ) 3.0 1.2 3.0                                
assign (resid   46 and  name HA    )(resid   47 and  name HN   ) 2.2 0.4 0.3                                
assign (resid   47 and  name HA    )(resid   47 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   40 and  name HA    )(resid   47 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   47 and  name HB#   )(resid   47 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   46 and  name HB    )(resid   47 and  name HN   ) 2.2 0.4 0.3                                
assign (resid   40 and  name HB#   )(resid   47 and  name HN   ) 4.0 2.2 2.0                                
assign (resid   46 and  name HG*   )(resid   47 and  name HN   ) 2.2 0.4 1.8                                
assign (resid   76 and  name HD*   )(resid   47 and  name HN   ) 5.0 3.2 2.5                                
!I70/48
assign (resid   47 and  name HN    )(resid   48 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   47 and  name HD#   )(resid   48 and  name HN   ) 3.0 1.2 2.5                                
assign (resid   48 and  name HA    )(resid   48 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   47 and  name HB#   )(resid   48 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   48 and  name HB#   )(resid   48 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   46 and  name HG*   )(resid   48 and  name HN   ) 4.0 2.2 2.5                                
assign (resid   48 and  name HG*   )(resid   48 and  name HN   ) 4.0 2.2 2.5                                
assign (resid   48 and  name HD#   )(resid   48 and  name HN   ) 4.0 2.2 2.5                                
!K71/49
assign (resid   56 and  name HN    )(resid   49 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   38 and  name HA    )(resid   49 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   49 and  name HA    )(resid   49 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   48 and  name HA    )(resid   49 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   49 and  name HB#   )(resid   49 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   49 and  name HD#   )(resid   49 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   48 and  name HG*   )(resid   49 and  name HN   ) 3.0 1.2 2.0                                
!S72/50
assign (resid   55 and  name HN    )(resid   50 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   53 and  name HG1   )(resid   50 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   56 and  name HA    )(resid   50 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   49 and  name HA    )(resid   50 and  name HN   ) 2.2 0.4 0.3                                
assign (resid   50 and  name HA    )(resid   50 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   50 and  name HB#   )(resid   50 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   49 and  name HB#   )(resid   50 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   36 and  name HD*   )(resid   50 and  name HN   ) 3.0 1.2 2.0                                
!L73/51
assign (resid   56 and  name HN    )(resid   51 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   52 and  name HN    )(resid   51 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   55 and  name HN    )(resid   51 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   36 and  name HA    )(resid   51 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   33 and  name HA    )(resid   51 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   50 and  name HA    )(resid   51 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   51 and  name HA    )(resid   51 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   50 and  name HB#   )(resid   51 and  name HN   ) 5.0 3.2 1.5                                
assign (resid   35 and  name HB#   )(resid   51 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   51 and  name HB#   )(resid   51 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   51 and  name HD*   )(resid   51 and  name HN   ) 3.0 1.2 2.0                                
!E74/52
assign (resid   53 and  name HN    )(resid   52 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   53 and  name HG1   )(resid   52 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   33 and  name HA    )(resid   52 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   51 and  name HA    )(resid   52 and  name HN   ) 2.2 0.4 0.3                                
assign (resid   52 and  name HB#   )(resid   52 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   52 and  name HG#   )(resid   52 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   51 and  name HB#   )(resid   52 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   51 and  name HD*   )(resid   52 and  name HN   ) 4.0 2.2 2.5                                
!T75/53
assign (resid   55 and  name HN    )(resid   53 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   53 and  name HG1   )(resid   53 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   53 and  name HA    )(resid   53 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   53 and  name HB    )(resid   53 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   52 and  name HB#   )(resid   53 and  name HN   ) 3.0 1.2 1.5                                
assign (resid   52 and  name HG#   )(resid   53 and  name HN   ) 4.0 2.2 1.5
assign (resid   53 and  name HG#   )(resid   53 and  name HN   ) 3.0 1.2 2.0
!G76/54
assign (resid   52 and  name HN    )(resid   54 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   55 and  name HN    )(resid   54 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   53 and  name HG1   )(resid   54 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   53 and  name HA    )(resid   54 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   54 and  name HA#   )(resid   54 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   52 and  name HG#   )(resid   54 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   53 and  name HG#   )(resid   54 and  name HN   ) 4.0 2.2 2.5                                
!Q77/55
assign (resid   53 and  name HG1   )(resid   55 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   53 and  name HA    )(resid   55 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   55 and  name HA    )(resid   55 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   54 and  name HA#   )(resid   55 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   50 and  name HB#   )(resid   55 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   55 and  name HB#   )(resid   55 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   55 and  name HG#   )(resid   55 and  name HN   ) 3.0 1.2 1.0                                
assign (resid   49 and  name HG#   )(resid   55 and  name HN   ) 3.0 1.2 1.0                                
!Y78/56
assign (resid   57 and  name HN    )(resid   56 and  name HN   ) 4.0 2.2 1.0                                
assign (resid   56 and  name HD#   )(resid   56 and  name HN   ) 2.2 0.4 2.3                                
assign (resid   56 and  name HA    )(resid   56 and  name HN   ) 3.0 1.2 0.5                                
assign (resid   55 and  name HA    )(resid   56 and  name HN   ) 3.0 1.2 0.5                                 
assign (resid   56 and  name HB#   )(resid   56 and  name HN   ) 4.0 2.2 1.5                                
assign (resid   55 and  name HB#   )(resid   56 and  name HN   ) 2.2 0.4 0.8                                
assign (resid   67 and  name HB#   )(resid   56 and  name HN   ) 2.2 0.4 1.8                                
!L79/57
assign (resid   48 and  name HN    )(resid   57 and  name HN   ) 5.0 3.2 1.0                                
assign (resid   56 and  name HA    )(resid   57 and  name HN   ) 3.0 1.2 0.5
assign (resid   57 and  name HA    )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   56 and  name HB#   )(resid   57 and  name HN   ) 4.0 2.2 1.5
assign (resid   57 and  name HB#   )(resid   57 and  name HN   ) 3.0 1.2 1.0
assign (resid   57 and  name HG    )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HD*   )(resid   57 and  name HN   ) 3.0 1.2 2.5
assign (resid   56 and  name HD#   )(resid   57 and  name HN   ) 4.0 2.2 3.0
!A80/58
assign (resid   66 and  name HN    )(resid   58 and  name HN   ) 3.0 1.2 0.5
assign (resid   67 and  name HA    )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HA    )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HA    )(resid   58 and  name HN   ) 2.2 0.4 0.3
assign (resid   57 and  name HB#   )(resid   58 and  name HN   ) 3.0 1.2 1.0
assign (resid   57 and  name HD*   )(resid   58 and  name HN   ) 2.2 0.4 1.8
assign (resid   58 and  name HB#   )(resid   58 and  name HN   ) 2.2 0.4 1.8
!M81/59
assign (resid   58 and  name HN    )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   77 and  name HD#   )(resid   59 and  name HN   ) 4.0 2.2 3.0
assign (resid   76 and  name HN    )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HA    )(resid   59 and  name HN   ) 2.2 0.4 0.3
assign (resid   59 and  name HA    )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HG#   )(resid   59 and  name HN   ) 3.5 1.7 1.0
assign (resid   65 and  name HD*   )(resid   59 and  name HN   ) 4.0 2.2 2.5
assign (resid   58 and  name HB#   )(resid   59 and  name HN   ) 2.2 0.4 1.8
!D82/60
assign (resid   64 and  name HN    )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   66 and  name HD#   )(resid   60 and  name HN   ) 3.0 1.2 3.0
assign (resid   66 and  name HE#   )(resid   60 and  name HN   ) 3.0 1.2 3.0
assign (resid   59 and  name HA    )(resid   60 and  name HN   ) 3.0 1.2 0.5
assign (resid   60 and  name HA    )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HB#   )(resid   60 and  name HN   ) 4.0 2.2 1.5
assign (resid   59 and  name HG#   )(resid   60 and  name HN   ) 3.0 1.2 1.0
assign (resid   65 and  name HD*   )(resid   60 and  name HN   ) 4.0 2.2 2.5
!S83/61
assign (resid   60 and  name HN    )(resid   61 and  name HN   ) 5.0 3.2 1.0
assign (resid   66 and  name HD#   )(resid   61 and  name HN   ) 4.0 2.2 3.0
assign (resid   66 and  name HE#   )(resid   61 and  name HN   ) 4.0 2.2 3.0
assign (resid   60 and  name HA    )(resid   61 and  name HN   ) 3.0 1.2 0.5
assign (resid   61 and  name HA    )(resid   61 and  name HN   ) 3.0 1.2 0.5
assign (resid   61 and  name HB#   )(resid   61 and  name HN   ) 3.0 1.2 1.0
assign (resid   60 and  name HB#   )(resid   61 and  name HN   ) 3.0 1.2 1.0
!D84/62
assign (resid   64 and  name HN    )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   99 and  name HH*   )(resid   62 and  name HN   ) 5.0 3.2 3.0
assign (resid   99 and  name HZ*   )(resid   62 and  name HN   ) 5.0 3.2 3.0
assign (resid   62 and  name HA    )(resid   62 and  name HN   ) 2.2 0.4 0.3
assign (resid   61 and  name HA    )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   61 and  name HB#   )(resid   62 and  name HN   ) 4.0 2.2 1.5
assign (resid   62 and  name HB#   )(resid   62 and  name HN   ) 2.2 0.4 0.8
assign (resid   59 and  name HG#   )(resid   62 and  name HN   ) 4.0 2.2 1.5
!G85/63
assign (resid   62 and  name HN    )(resid   63 and  name HN   ) 3.0 1.2 0.5
assign (resid   99 and  name HH*   )(resid   63 and  name HN   ) 3.0 1.2 2.5
assign (resid   99 and  name HZ*   )(resid   63 and  name HN   ) 3.0 1.2 2.5
assign (resid   62 and  name HA    )(resid   63 and  name HN   ) 3.0 1.2 0.5
assign (resid   61 and  name HA    )(resid   63 and  name HN   ) 4.0 2.2 1.0
assign (resid   63 and  name HA#   )(resid   63 and  name HN   ) 2.2 0.4 0.8
assign (resid   62 and  name HB#   )(resid   63 and  name HN   ) 2.2 0.4 0.8
assign (resid   59 and  name HG#   )(resid   63 and  name HN   ) 2.2 0.4 0.8
!Q86/64
assign (resid   63 and  name HN    )(resid   64 and  name HN   ) 2.2 0.4 0.3
assign (resid   99 and  name HH*   )(resid   64 and  name HN   ) 4.0 2.2 2.0
assign (resid   99 and  name HZ*   )(resid   64 and  name HN   ) 5.0 3.2 3.0
assign (resid   62 and  name HA    )(resid   64 and  name HN   ) 4.0 2.2 1.0
assign (resid   64 and  name HA    )(resid   64 and  name HN   ) 3.0 1.2 0.5
assign (resid   63 and  name HA#   )(resid   64 and  name HN   ) 3.0 1.2 1.0
assign (resid   62 and  name HB#   )(resid   64 and  name HN   ) 4.0 2.2 1.5
assign (resid   64 and  name HG#   )(resid   64 and  name HN   ) 3.0 1.2 0.5
assign (resid   64 and  name HB#   )(resid   64 and  name HN   ) 2.2 0.4 0.8
!L87/65
assign (resid   66 and  name HN    )(resid   65 and  name HN   ) 4.0 2.2 1.0
assign (resid   65 and  name HA    )(resid   65 and  name HN   ) 3.0 1.2 0.5
assign (resid   64 and  name HA    )(resid   65 and  name HN   ) 2.2 0.4 0.3
assign (resid   64 and  name HB#   )(resid   65 and  name HN   ) 2.2 0.4 0.8
assign (resid   64 and  name HG#   )(resid   65 and  name HN   ) 2.2 0.4 0.8
assign (resid   65 and  name HB#   )(resid   65 and  name HN   ) 3.0 1.2 1.0
assign (resid   65 and  name HG    )(resid   65 and  name HN   ) 2.2 0.4 1.8
!Y88/66
assign (resid   67 and  name HN    )(resid   66 and  name HN   ) 4.0 2.2 1.0
assign (resid   66 and  name HD#   )(resid   66 and  name HN   ) 3.0 1.2 2.5
assign (resid   66 and  name HE#   )(resid   66 and  name HN   ) 4.0 2.2 3.0
assign (resid   65 and  name HA    )(resid   66 and  name HN   ) 2.2 0.4 0.8
assign (resid   66 and  name HA    )(resid   66 and  name HN   ) 3.0 1.2 0.5
assign (resid   66 and  name HB#   )(resid   66 and  name HN   ) 4.0 2.2 1.5
assign (resid   59 and  name HG#   )(resid   66 and  name HN   ) 4.0 2.2 1.5
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!A89/67
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assign (resid   66 and  name HD#   )(resid   67 and  name HN   ) 3.0 1.2 2.5
assign (resid   67 and  name HA    )(resid   67 and  name HN   ) 4.0 2.2 1.0
assign (resid   66 and  name HA    )(resid   67 and  name HN   ) 2.2 0.4 0.3
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assign (resid   66 and  name HB#   )(resid   67 and  name HN   ) 2.2 0.4 0.8
assign (resid   67 and  name HB#   )(resid   67 and  name HN   ) 3.0 1.2 1.0
assign (resid   23 and  name HG#   )(resid   67 and  name HN   ) 4.0 2.2 2.0
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!S90/68
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assign (resid   68 and  name HB#   )(resid   68 and  name HN   ) 4.0 2.2 1.5
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!Q91/69
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assign (resid   66 and  name HD#   )(resid   69 and  name HN   ) 5.0 3.2 3.0
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assign (resid   69 and  name HA    )(resid   69 and  name HN   ) 2.2 0.4 0.3
assign (resid   68 and  name HB#   )(resid   69 and  name HN   ) 4.0 2.2 1.5
assign (resid   69 and  name HG#   )(resid   69 and  name HN   ) 3.0 1.2 1.0
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!S92/70
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assign (resid   66 and  name HE#   )(resid   70 and  name HN   ) 4.0 2.2 3.0
assign (resid   70 and  name HA    )(resid   70 and  name HN   ) 2.2 0.4 0.3
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assign (resid   70 and  name HB#   )(resid   70 and  name HN   ) 2.2 0.4 0.8
assign (resid   69 and  name HG#   )(resid   70 and  name HN   ) 5.0 3.2 1.5
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!S94/72
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assign (resid   47 and  name HE#   )(resid   72 and  name HN   ) 4.0 2.2 3.0
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assign (resid   71 and  name HB#   )(resid   72 and  name HN   ) 5.0 3.2 1.5
assign (resid   71 and  name HG#   )(resid   72 and  name HN   ) 2.2 0.4 0.8
assign (resid   71 and  name HD#   )(resid   72 and  name HN   ) 3.0 1.2 1.0
assign (resid   72 and  name HA    )(resid   72 and  name HN   ) 2.2 0.4 0.3
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!E95/73
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assign (resid   72 and  name HB#   )(resid   73 and  name HN   ) 3.0 1.2 1.0
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!E96/74
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assign (resid   73 and  name HG#   )(resid   74 and  name HN   ) 2.2 0.4 0.8
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!C97/75
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assign (resid   75 and  name HB#   )(resid   75 and  name HN   ) 3.0 1.2 1.5
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!L98/76
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!F99/77
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assign (resid   46 and  name HA    )(resid   77 and  name HN   ) 4.0 2.2 1.0
assign (resid   77 and  name HA    )(resid   77 and  name HN   ) 3.0 1.2 0.5
assign (resid   76 and  name HA    )(resid   77 and  name HN   ) 2.2 0.4 0.3
assign (resid   77 and  name HB#   )(resid   77 and  name HN   ) 3.0 1.2 1.0
assign (resid   76 and  name HB#   )(resid   77 and  name HN   ) 2.2 0.4 0.8
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!L100/78
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assign (resid   77 and  name HD#   )(resid   78 and  name HN   ) 3.0 1.2 2.5
assign (resid   78 and  name HA    )(resid   78 and  name HN   ) 3.0 1.2 0.5
assign (resid   77 and  name HA    )(resid   78 and  name HN   ) 2.2 0.4 0.3
assign (resid   90 and  name HA    )(resid   78 and  name HN   ) 4.0 2.2 1.0
assign (resid   91 and  name HA    )(resid   78 and  name HN   ) 4.0 2.2 1.0
assign (resid   77 and  name HB#   )(resid   78 and  name HN   ) 3.0 1.2 1.0
assign (resid   78 and  name HB#   )(resid   78 and  name HN   ) 3.0 1.2 1.0
assign (resid   78 and  name HG    )(resid   78 and  name HN   ) 3.0 1.2 1.0
assign (resid   78 and  name HD*   )(resid   78 and  name HN   ) 2.2 0.4 1.8
!E101/79
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assign (resid   79 and  name HB#   )(resid   79 and  name HN   ) 2.2 0.4 0.8
assign (resid   78 and  name HB#   )(resid   79 and  name HN   ) 2.2 0.4 0.8
assign (resid   78 and  name HG    )(resid   79 and  name HN   ) 2.2 0.4 0.8
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!R102/80
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assign (resid   87 and  name HB#   )(resid   80 and  name HN   ) 4.0 2.2 1.5
assign (resid   79 and  name HA    )(resid   80 and  name HN   ) 2.2 0.4 0.3
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assign (resid   80 and  name HB#   )(resid   80 and  name HN   ) 2.2 0.4 0.8
assign (resid   80 and  name HG#   )(resid   80 and  name HN   ) 4.0 2.2 0.5
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!L103/81
assign (resid   80 and  name HA    )(resid   81 and  name HN   ) 2.2 0.4 0.3
assign (resid   81 and  name HA    )(resid   81 and  name HN   ) 3.0 1.2 0.5
assign (resid   81 and  name HB#   )(resid   81 and  name HN   ) 2.2 0.4 0.8
assign (resid   81 and  name HG    )(resid   81 and  name HN   ) 3.0 1.2 2.0 
assign (resid   81 and  name HD*   )(resid   81 and  name HN   ) 3.0 1.2 2.0 
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!E104/82
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assign (resid   86 and  name HN    )(resid   82 and  name HN   ) 4.0 2.2 1.0
assign (resid   87 and  name HA    )(resid   82 and  name HN   ) 4.0 2.2 1.0
assign (resid   82 and  name HA    )(resid   82 and  name HN   ) 2.2 0.4 0.3
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assign (resid   82 and  name HB#   )(resid   82 and  name HN   ) 2.2 0.4 0.8
assign (resid   82 and  name HG#   )(resid   82 and  name HN   ) 2.2 0.4 0.8
assign (resid   81 and  name HD*   )(resid   82 and  name HN   ) 2.2 0.4 1.8
!E105/83
assign (resid   84 and  name HN    )(resid   83 and  name HN   ) 3.0 1.2 0.5
assign (resid   82 and  name HA    )(resid   83 and  name HN   ) 3.0 1.2 0.5
assign (resid   83 and  name HA    )(resid   83 and  name HN   ) 3.0 1.2 0.5
assign (resid   83 and  name HB#   )(resid   83 and  name HN   ) 2.2 0.4 0.3
assign (resid   83 and  name HG#   )(resid   83 and  name HN   ) 2.2 0.4 0.3
!N107/85
assign (resid   86 and  name HN    )(resid   85 and  name HN   ) 2.2 0.4 0.3
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assign (resid   85 and  name HB#   )(resid   85 and  name HN   ) 2.2 0.4 0.8
assign (resid   83 and  name HB#   )(resid   85 and  name HN   ) 4.0 2.2 1.5
assign (resid   81 and  name HD*   )(resid   85 and  name HN   ) 2.2 0.4 1.8
!Y108/86
assign (resid   87 and  name HN    )(resid   86 and  name HN   ) 4.0 2.2 1.0
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assign (resid   86 and  name HA    )(resid   86 and  name HN   ) 3.0 1.2 0.5
assign (resid   86 and  name HB#   )(resid   86 and  name HN   ) 3.0 1.2 1.0
assign (resid   85 and  name HA    )(resid   86 and  name HN   ) 3.0 1.2 0.5
assign (resid   85 and  name HB#   )(resid   86 and  name HN   ) 4.0 2.2 1.5
assign (resid   81 and  name HG    )(resid   86 and  name HN   ) 5.0 3.2 1.0
assign (resid   81 and  name HD*   )(resid   86 and  name HN   ) 4.0 2.2 2.5
!N109/87
assign (resid  124 and  name HN    )(resid   87 and  name HN   ) 4.0 2.2 1.0
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assign (resid   86 and  name HD#   )(resid   87 and  name HN   ) 3.0 1.2 2.5
assign (resid   86 and  name HE#   )(resid   87 and  name HN   ) 4.0 2.2 2.5
assign (resid   86 and  name HN    )(resid   87 and  name HN   ) 4.0 2.2 1.0
assign (resid   87 and  name HA    )(resid   87 and  name HN   ) 3.0 1.2 0.5
assign (resid   86 and  name HA    )(resid   87 and  name HN   ) 3.0 1.2 0.5
assign (resid   86 and  name HB#   )(resid   87 and  name HN   ) 3.0 1.2 0.5
assign (resid   87 and  name HB#   )(resid   87 and  name HN   ) 4.0 2.2 1.5
assign (resid   81 and  name HG    )(resid   87 and  name HN   ) 4.0 2.2 1.0
!T110/88
assign (resid   82 and  name HN    )(resid   88 and  name HN   ) 4.0 2.2 1.0
assign (resid   87 and  name HA    )(resid   88 and  name HN   ) 3.0 1.2 0.5
assign (resid   88 and  name HA    )(resid   88 and  name HN   ) 5.0 3.2 1.0
assign (resid   81 and  name HA    )(resid   88 and  name HN   ) 3.0 1.2 0.5
assign (resid   87 and  name HB#   )(resid   88 and  name HN   ) 3.0 1.2 1.0
assign (resid   80 and  name HB#   )(resid   88 and  name HN   ) 3.5 1.7 1.0
assign (resid   88 and  name HG#   )(resid   88 and  name HN   ) 3.0 1.2 1.0
assign (resid   81 and  name HD*   )(resid   88 and  name HN   ) 5.0 3.2 2.0
!Y111/89
assign (resid   88 and  name HN    )(resid   89 and  name HN   ) 5.0 3.2 1.0
assign (resid  100 and  name HD#   )(resid   89 and  name HN   ) 3.0 1.2 2.5
assign (resid   89 and  name HD#   )(resid   89 and  name HN   ) 3.0 1.2 2.5
assign (resid   88 and  name HA    )(resid   89 and  name HN   ) 3.0 1.2 0.5
assign (resid   89 and  name HA    )(resid   89 and  name HN   ) 2.2 0.4 0.3
assign (resid   89 and  name HB#   )(resid   89 and  name HN   ) 3.0 1.2 1.0
assign (resid   88 and  name HG#   )(resid   89 and  name HN   ) 3.0 1.2 1.5
!K112/90
assign (resid   89 and  name HN    )(resid   90 and  name HN   ) 5.0 3.2 1.0
assign (resid  100 and  name HD#   )(resid   90 and  name HN   ) 5.0 3.2 3.0
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assign (resid   89 and  name HD#   )(resid   90 and  name HN   ) 4.0 2.2 2.5
assign (resid   90 and  name HA    )(resid   90 and  name HN   ) 3.0 1.2 0.5
assign (resid   89 and  name HA    )(resid   90 and  name HN   ) 3.0 1.2 0.5
assign (resid   77 and  name HB#   )(resid   90 and  name HN   ) 3.0 1.2 1.0
assign (resid   89 and  name HB#   )(resid   90 and  name HN   ) 4.0 2.2 1.5
assign (resid   90 and  name HB#   )(resid   90 and  name HN   ) 2.2 0.4 0.8
assign (resid   90 and  name HG#   )(resid   90 and  name HN   ) 4.0 2.2 1.5
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!S113/91
assign (resid  100 and  name HD#   )(resid   91 and  name HN   ) 4.0 2.2 3.0
assign (resid   77 and  name HD#   )(resid   91 and  name HN   ) 4.0 2.2 3.0
assign (resid  100 and  name HA    )(resid   91 and  name HN   ) 4.0 2.2 1.0
assign (resid   90 and  name HA    )(resid   91 and  name HN   ) 2.2 0.4 0.3
assign (resid   91 and  name HA    )(resid   91 and  name HN   ) 3.0 1.2 0.5
assign (resid   91 and  name HB#   )(resid   91 and  name HN   ) 4.0 2.2 1.5
assign (resid   90 and  name HB#   )(resid   91 and  name HN   ) 3.0 1.2 1.0
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!K114/92
assign (resid   93 and  name HN    )(resid   92 and  name HN   ) 3.0 1.2 0.5
assign (resid   77 and  name HD#   )(resid   92 and  name HN   ) 4.0 2.2 3.0
assign (resid   77 and  name HA    )(resid   92 and  name HN   ) 3.0 1.2 0.5
assign (resid   92 and  name HA    )(resid   92 and  name HN   ) 3.0 1.2 0.5
assign (resid   91 and  name HA    )(resid   92 and  name HN   ) 3.0 1.2 0.5
assign (resid   77 and  name HB#   )(resid   92 and  name HN   ) 4.0 2.2 1.5
assign (resid   92 and  name HB#   )(resid   92 and  name HN   ) 3.0 1.2 1.0
assign (resid   92 and  name HG#   )(resid   92 and  name HN   ) 3.0 1.2 1.0
!V115/93
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assign (resid   93 and  name HA    )(resid   93 and  name HN   ) 2.2 0.4 0.3
assign (resid   93 and  name HB    )(resid   93 and  name HN   ) 2.2 0.4 0.3
assign (resid   93 and  name HG*   )(resid   93 and  name HN   ) 2.2 0.4 1.8
assign (resid   92 and  name HB#   )(resid   93 and  name HN   ) 2.2 0.4 0.8
!H116/94
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assign (resid   93 and  name HB    )(resid   94 and  name HN   ) 2.2 0.4 0.3
assign (resid   93 and  name HG*   )(resid   94 and  name HN   ) 2.2 0.4 1.8
!A117/95
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assign (resid   94 and  name HB#   )(resid   95 and  name HN   ) 2.2 0.4 0.8
assign (resid   95 and  name HB#   )(resid   95 and  name HN   ) 2.2 0.4 0.8
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!D118/96
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assign (resid   95 and  name HA    )(resid   96 and  name HN   ) 3.0 1.2 0.5
assign (resid   96 and  name HB#   )(resid   96 and  name HN   ) 2.2 0.4 0.8
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!K119/97
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assign (resid   96 and  name HA    )(resid   97 and  name HN   ) 3.0 1.2 0.5
assign (resid   97 and  name HA    )(resid   97 and  name HN   ) 3.0 1.2 0.5
assign (resid   96 and  name HB#   )(resid   97 and  name HN   ) 2.2 0.4 0.8
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assign (resid   97 and  name HB#   )(resid   97 and  name HN   ) 3.0 1.2 1.0
assign (resid   97 and  name HG#   )(resid   97 and  name HN   ) 3.0 1.2 1.0
!D120/98
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assign (resid   99 and  name HN    )(resid   98 and  name HN   ) 3.0 1.2 0.5
assign (resid   97 and  name HA    )(resid   98 and  name HN   ) 3.0 1.2 0.5
assign (resid   98 and  name HA    )(resid   98 and  name HN   ) 2.2 0.4 0.3
assign (resid   98 and  name HB#   )(resid   98 and  name HN   ) 2.2 0.4 0.8
assign (resid   97 and  name HB#   )(resid   98 and  name HN   ) 3.0 1.2 1.0
assign (resid   97 and  name HG#   )(resid   98 and  name HN   ) 3.0 1.2 1.0
!W121/99
assign (resid  100 and  name HN    )(resid   99 and  name HN   ) 4.0 2.2 1.0
assign (resid   99 and  name HA    )(resid   99 and  name HN   ) 4.0 2.2 1.0
assign (resid   98 and  name HA    )(resid   99 and  name HN   ) 2.2 0.4 0.3
assign (resid   98 and  name HB#   )(resid   99 and  name HN   ) 3.0 1.2 1.0
assign (resid   99 and  name HB#   )(resid   99 and  name HN   ) 3.0 1.2 1.0
assign (resid   97 and  name HB#   )(resid   99 and  name HN   ) 4.0 2.2 1.5
assign (resid   97 and  name HG#   )(resid   99 and  name HN   ) 4.0 2.2 1.5
!F122/100
assign (resid  100 and  name HD#   )(resid  100 and  name HN   ) 3.0 1.2 2.5
assign (resid  115 and  name HG1   )(resid  100 and  name HN   ) 3.0 1.2 0.5
assign (resid   99 and  name HA    )(resid  100 and  name HN   ) 2.2 0.4 0.3
assign (resid  100 and  name HA    )(resid  100 and  name HN   ) 5.0 3.2 1.0
assign (resid  115 and  name HB    )(resid  100 and  name HN   ) 4.0 2.2 1.0
assign (resid  112 and  name HA#   )(resid  100 and  name HN   ) 4.0 2.2 1.5
assign (resid  100 and  name HB#   )(resid  100 and  name HN   ) 4.0 2.2 1.5
assign (resid  115 and  name HG#   )(resid  100 and  name HN   ) 3.0 1.2 2.0
assign (resid  122 and  name HG*   )(resid  100 and  name HN   ) 4.0 2.2 2.5
assign (resid  122 and  name HD#   )(resid  100 and  name HN   ) 5.0 3.2 2.5
!V123/101
assign (resid  100 and  name HD#   )(resid  101 and  name HN   ) 3.0 1.2 3.0
assign (resid   77 and  name HD#   )(resid  101 and  name HN   ) 5.0 3.2 3.0
assign (resid   89 and  name HD#   )(resid  101 and  name HN   ) 5.0 3.2 3.0
assign (resid  100 and  name HA    )(resid  101 and  name HN   ) 3.0 1.2 0.5
assign (resid   90 and  name HA    )(resid  101 and  name HN   ) 3.5 1.7 0.5
assign (resid  101 and  name HA    )(resid  101 and  name HN   ) 5.0 3.2 1.0
assign (resid  101 and  name HB    )(resid  101 and  name HN   ) 3.0 1.2 0.5
assign (resid  122 and  name HG*   )(resid  101 and  name HN   ) 4.0 2.2 2.5
assign (resid  101 and  name HG*   )(resid  101 and  name HN   ) 2.2 0.4 1.8
!G124/102
assign (resid  102 and  name HA#   )(resid  102 and  name HN   ) 3.0 1.2 1.0
assign (resid  109 and  name HG#   )(resid  102 and  name HN   ) 4.0 2.2 2.0
assign (resid  101 and  name HA    )(resid  102 and  name HN   ) 3.0 1.2 0.5
assign (resid  110 and  name HB#   )(resid  102 and  name HN   ) 4.0 2.2 1.5
assign (resid  101 and  name HG*   )(resid  102 and  name HN   ) 2.2 0.4 1.8
!I125/103
assign (resid  102 and  name HN    )(resid  103 and  name HN   ) 5.0 3.2 1.0
assign (resid  123 and  name HN    )(resid  103 and  name HN   ) 5.0 3.2 1.0
assign (resid  102 and  name HA#   )(resid  103 and  name HN   ) 2.2 0.4 0.8
assign (resid  103 and  name HA    )(resid  103 and  name HN   ) 4.0 2.2 1.0
assign (resid  103 and  name HB#   )(resid  103 and  name HN   ) 3.0 1.2 1.0
assign (resid  103 and  name HG*   )(resid  103 and  name HN   ) 3.0 1.2 2.0
assign (resid  103 and  name HD#   )(resid  103 and  name HN   ) 3.0 1.2 2.0
!K126/104
assign (resid  110 and  name HN    )(resid  104 and  name HN   ) 5.0 3.2 1.0
assign (resid  105 and  name HN    )(resid  104 and  name HN   ) 5.0 3.2 1.0
assign (resid  104 and  name HA    )(resid  104 and  name HN   ) 5.0 3.2 1.0
assign (resid  103 and  name HA    )(resid  104 and  name HN   ) 2.2 0.4 0.3
assign (resid  103 and  name HB#   )(resid  104 and  name HN   ) 3.0 1.2 1.0
assign (resid  103 and  name HG*   )(resid  104 and  name HN   ) 3.0 1.2 2.0
assign (resid  103 and  name HD#   )(resid  104 and  name HN   ) 3.0 1.2 2.0
assign (resid  104 and  name HB#   )(resid  104 and  name HN   ) 3.0 1.2 2.0
assign (resid  104 and  name HG#   )(resid  104 and  name HN   ) 3.0 1.2 2.0
!K127/105
assign (resid  104 and  name HA    )(resid  105 and  name HN   ) 5.0 3.2 1.0
assign (resid  105 and  name HA    )(resid  105 and  name HN   ) 2.2 0.4 0.3
assign (resid  104 and  name HB#   )(resid  105 and  name HN   ) 3.0 1.2 1.0
assign (resid  104 and  name HG#   )(resid  105 and  name HN   ) 3.0 1.2 1.0
assign (resid  105 and  name HB#   )(resid  105 and  name HN   ) 3.0 1.2 1.0
assign (resid  105 and  name HG#   )(resid  105 and  name HN   ) 3.0 1.2 1.0
!N128/106
assign (resid  109 and  name HN    )(resid  106 and  name HN   ) 5.0 3.2 1.0
assign (resid  105 and  name HA    )(resid  106 and  name HN   ) 4.0 2.2 1.0
assign (resid  105 and  name HB#   )(resid  106 and  name HN   ) 4.0 2.2 1.0
assign (resid  105 and  name HG#   )(resid  106 and  name HN   ) 4.0 2.2 1.0
assign (resid  103 and  name HD#   )(resid  106 and  name HN   ) 5.0 3.2 1.0
assign (resid  106 and  name HA    )(resid  106 and  name HN   ) 3.0 1.2 0.5
assign (resid  106 and  name HB#   )(resid  106 and  name HN   ) 3.0 1.2 1.0
!G129/107
assign (resid  109 and  name HN    )(resid  107 and  name HN   ) 5.0 3.2 1.0
assign (resid  108 and  name HN    )(resid  107 and  name HN   ) 3.0 1.2 0.5
assign (resid  107 and  name HA#   )(resid  107 and  name HN   ) 2.2 0.4 0.8
assign (resid  106 and  name HB#   )(resid  107 and  name HN   ) 4.0 2.2 1.5
assign (resid  105 and  name HB#   )(resid  107 and  name HN   ) 4.0 2.2 1.5
assign (resid  105 and  name HG#   )(resid  107 and  name HN   ) 4.0 2.2 1.5
assign (resid  103 and  name HD#   )(resid  107 and  name HN   ) 4.0 2.2 2.5
!K130/108
assign (resid  109 and  name HN    )(resid  108 and  name HN   ) 3.0 1.2 0.5
assign (resid  108 and  name HA    )(resid  108 and  name HN   ) 2.2 0.4 0.3
assign (resid  107 and  name HA#   )(resid  108 and  name HN   ) 3.0 1.2 0.5
assign (resid  108 and  name HB#   )(resid  108 and  name HN   ) 3.0 1.2 1.0
assign (resid  108 and  name HG#   )(resid  108 and  name HN   ) 3.0 1.2 1.0
assign (resid  103 and  name HD#   )(resid  108 and  name HN   ) 4.0 2.2 1.0
!T131/109
assign (resid  110 and  name HN    )(resid  109 and  name HN   ) 5.0 3.2 1.0
assign (resid  108 and  name HA    )(resid  109 and  name HN   ) 3.0 1.2 0.5
assign (resid  109 and  name HA    )(resid  109 and  name HN   ) 3.0 1.2 0.5
assign (resid  109 and  name HB    )(resid  109 and  name HN   ) 3.0 1.2 0.5
assign (resid  108 and  name HB#   )(resid  109 and  name HN   ) 3.0 1.2 1.0
assign (resid  108 and  name HG#   )(resid  109 and  name HN   ) 3.0 1.2 1.0
assign (resid  103 and  name HD#   )(resid  109 and  name HN   ) 4.0 2.2 1.0
assign (resid  109 and  name HG#   )(resid  109 and  name HN   ) 2.2 0.4 1.3
!K132/110
assign (resid  109 and  name HB    )(resid  110 and  name HN   ) 4.0 2.2 1.0
assign (resid  109 and  name HA    )(resid  110 and  name HN   ) 4.0 2.2 1.0
assign (resid  110 and  name HA    )(resid  110 and  name HN   ) 4.0 2.2 1.0
assign (resid  109 and  name HG#   )(resid  110 and  name HN   ) 2.2 0.4 1.3
assign (resid  103 and  name HD#   )(resid  110 and  name HN   ) 4.0 2.2 2.5
assign (resid  110 and  name HB#   )(resid  110 and  name HN   ) 3.0 1.2 1.0
!G134/112
assign (resid  111 and  name HA    )(resid  112 and  name HN   ) 2.2 0.4 0.3
assign (resid  112 and  name HA#   )(resid  112 and  name HN   ) 3.0 1.2 0.5
assign (resid  111 and  name HB#   )(resid  112 and  name HN   ) 4.0 2.2 1.5
assign (resid  111 and  name HG#   )(resid  112 and  name HN   ) 4.0 2.2 1.5
!S135/113
assign (resid  113 and  name HA    )(resid  113 and  name HN   ) 3.0 1.2 0.5
assign (resid  113 and  name HB#   )(resid  113 and  name HN   ) 3.0 1.2 1.0
assign (resid  112 and  name HN    )(resid  113 and  name HN   ) 3.0 1.2 0.5
assign (resid  112 and  name HA#   )(resid  113 and  name HN   ) 3.5 1.7 0.5
assign (resid  110 and  name HA    )(resid  113 and  name HN   ) 4.0 2.2 1.0
assign (resid  111 and  name HG#   )(resid  113 and  name HN   ) 4.0 2.2 1.0
!R136/114
assign (resid  115 and  name HN    )(resid  114 and  name HN   ) 3.0 1.2 0.5
assign (resid  114 and  name HA    )(resid  114 and  name HN   ) 3.0 1.2 0.5
assign (resid  112 and  name HA#   )(resid  114 and  name HN   ) 4.0 2.2 1.5
assign (resid  113 and  name HA    )(resid  114 and  name HN   ) 4.0 2.2 1.0
assign (resid  113 and  name HB#   )(resid  114 and  name HN   ) 4.0 2.2 1.5
assign (resid  114 and  name HB#   )(resid  114 and  name HN   ) 2.2 0.4 0.8
!T137/115
assign (resid  100 and  name HN    )(resid  115 and  name HN   ) 4.0 2.2 1.0
assign (resid  114 and  name HN    )(resid  115 and  name HN   ) 4.0 2.2 1.0
assign (resid  100 and  name HD#   )(resid  115 and  name HN   ) 5.0 3.2 3.0
assign (resid  115 and  name HG1   )(resid  115 and  name HN   ) 2.2 0.4 0.3
assign (resid  115 and  name HA    )(resid  115 and  name HN   ) 3.0 1.2 0.5
assign (resid  114 and  name HA    )(resid  115 and  name HN   ) 3.0 1.2 0.5
assign (resid  115 and  name HB    )(resid  115 and  name HN   ) 5.0 3.2 1.5
assign (resid  112 and  name HA#   )(resid  115 and  name HN   ) 5.0 3.2 1.5
assign (resid  113 and  name HA    )(resid  115 and  name HN   ) 5.0 3.2 1.0
assign (resid  113 and  name HB#   )(resid  115 and  name HN   ) 5.0 3.2 1.5
assign (resid  114 and  name HB#   )(resid  115 and  name HN   ) 4.0 2.2 1.5
assign (resid  115 and  name HG#   )(resid  115 and  name HN   ) 2.2 0.4 1.3
!H138/116
assign (resid  117 and  name HN    )(resid  116 and  name HN   ) 4.0 2.2 1.0
assign (resid  100 and  name HN    )(resid  116 and  name HN   ) 4.0 2.2 1.0
assign (resid  116 and  name HD#   )(resid  116 and  name HN   ) 4.0 2.2 3.0
assign (resid  115 and  name HA    )(resid  116 and  name HN   ) 3.0 1.2 0.5
assign (resid  116 and  name HA    )(resid  116 and  name HN   ) 3.0 1.8 0.5
assign (resid  115 and  name HB#   )(resid  116 and  name HN   ) 2.0 0.4 0.8
assign (resid  116 and  name HB#   )(resid  116 and  name HN   ) 3.0 1.2 1.0
assign (resid  100 and  name HB#   )(resid  116 and  name HN   ) 4.0 2.2 1.5
assign (resid  119 and  name HG#   )(resid  116 and  name HN   ) 5.0 3.2 1.0
assign (resid  119 and  name HB#   )(resid  116 and  name HN   ) 3.0 1.2 1.0
assign (resid  115 and  name HG#   )(resid  116 and  name HN   ) 2.2 0.4 1.3
assign (resid  122 and  name HG*   )(resid  116 and  name HN   ) 3.0 1.2 2.0
assign (resid  122 and  name HD#   )(resid  116 and  name HN   ) 4.0 2.2 2.5
!F139/117
assign (resid  118 and  name HN    )(resid  117 and  name HN   ) 5.0 3.2 1.0
assign (resid  116 and  name HA    )(resid  117 and  name HN   ) 2.2 0.4 0.3
assign (resid  117 and  name HA    )(resid  117 and  name HN   ) 4.0 2.2 1.0
assign (resid  116 and  name HB#   )(resid  117 and  name HN   ) 4.0 2.2 1.5
assign (resid  117 and  name HB#   )(resid  117 and  name HN   ) 3.0 1.2 1.0
assign (resid  122 and  name HD#   )(resid  117 and  name HN   ) 4.0 2.2 2.5
!G140/118
assign (resid  119 and  name HN    )(resid  118 and  name HN   ) 2.0 0.4 0.3
assign (resid  118 and  name HA#   )(resid  118 and  name HN   ) 2.2 0.4 0.8
assign (resid  117 and  name HA    )(resid  118 and  name HN   ) 2.2 0.4 0.3
assign (resid  117 and  name HB#   )(resid  118 and  name HN   ) 3.0 1.2 1.0
assign (resid  122 and  name HB#   )(resid  118 and  name HN   ) 4.0 2.2 1.5
assign (resid  122 and  name HG*   )(resid  118 and  name HN   ) 5.0 3.2 2.5
assign (resid  122 and  name HD#   )(resid  118 and  name HN   ) 3.0 1.2 2.0
!Q141/119
assign (resid  122 and  name HN    )(resid  119 and  name HN   ) 5.0 3.2 1.0
assign (resid  118 and  name HA#   )(resid  119 and  name HN   ) 3.0 1.2 1.0
assign (resid  119 and  name HA    )(resid  119 and  name HN   ) 2.2 0.4 0.3
assign (resid  117 and  name HA    )(resid  119 and  name HN   ) 4.0 2.2 1.0
assign (resid  119 and  name HB#   )(resid  119 and  name HN   ) 2.2 0.4 0.8
assign (resid  119 and  name HG#   )(resid  119 and  name HN   ) 3.0 1.2 1.0
assign (resid  122 and  name HD*   )(resid  119 and  name HN   ) 3.0 1.2 2.0
assign (resid  122 and  name HG*   )(resid  119 and  name HN   ) 3.0 1.2 2.5
!K142/120
assign (resid  121 and  name HN    )(resid  120 and  name HN   ) 3.0 1.2 0.5
assign (resid  119 and  name HN    )(resid  120 and  name HN   ) 4.0 2.2 1.0
assign (resid  119 and  name HA    )(resid  120 and  name HN   ) 2.2 0.4 0.3
assign (resid  119 and  name HB#   )(resid  120 and  name HN   ) 2.2 0.4 0.8
assign (resid  119 and  name HG#   )(resid  120 and  name HN   ) 4.0 2.2 1.5
assign (resid  120 and  name HB#   )(resid  120 and  name HN   ) 2.2 0.4 0.8
assign (resid  120 and  name HG#   )(resid  120 and  name HN   ) 4.0 2.2 1.5
assign (resid  120 and  name HA    )(resid  120 and  name HN   ) 3.0 1.2 0.5
!A143/121
assign (resid  119 and  name HN    )(resid  121 and  name HN   ) 4.0 2.2 1.0
assign (resid  122 and  name HN    )(resid  121 and  name HN   ) 4.0 2.2 1.0
assign (resid  120 and  name HA    )(resid  121 and  name HN   ) 5.0 3.2 1.0
assign (resid  120 and  name HB#   )(resid  121 and  name HN   ) 2.2 0.4 0.8
assign (resid  119 and  name HB#   )(resid  121 and  name HN   ) 2.2 0.4 0.8
assign (resid  121 and  name HB#   )(resid  121 and  name HN   ) 2.2 0.4 0.8
!I144/122
assign (resid  120 and  name HN    )(resid  122 and  name HN   ) 4.0 2.2 1.0
assign (resid  123 and  name HN    )(resid  122 and  name HN   ) 2.2 0.4 0.3
assign (resid  122 and  name HA    )(resid  122 and  name HN   ) 4.0 2.2 1.0
assign (resid  120 and  name HA    )(resid  122 and  name HN   ) 5.0 3.2 1.0
assign (resid  122 and  name HB    )(resid  122 and  name HN   ) 3.0 1.2 0.5
assign (resid  121 and  name HB#   )(resid  122 and  name HN   ) 3.0 1.2 1.5
assign (resid  122 and  name HG*   )(resid  122 and  name HN   ) 3.0 1.2 2.5
assign (resid  122 and  name HD#   )(resid  122 and  name HN   ) 3.0 1.2 1.5
assign (resid  120 and  name HB#   )(resid  122 and  name HN   ) 4.5 2.7 1.5
!L145/123
assign (resid  124 and  name HN    )(resid  123 and  name HN   ) 4.0 2.2 1.0
assign (resid    9 and  name HN    )(resid  123 and  name HN   ) 5.0 3.2 1.0
assign (resid  123 and  name HA    )(resid  123 and  name HN   ) 3.0 1.2 0.5
assign (resid  122 and  name HA    )(resid  123 and  name HN   ) 5.0 3.2 1.0
assign (resid  120 and  name HA    )(resid  123 and  name HN   ) 3.0 1.2 0.5
assign (resid  122 and  name HB    )(resid  123 and  name HN   ) 5.0 3.2 1.0
assign (resid  123 and  name HB#   )(resid  123 and  name HN   ) 2.2 0.4 0.8
assign (resid  123 and  name HD*   )(resid  123 and  name HN   ) 3.0 1.2 2.0
assign (resid  122 and  name HD*   )(resid  123 and  name HN   ) 4.0 2.2 2.0
!F146/124
assign (resid   87 and  name HN    )(resid  124 and  name HN   ) 3.0 1.2 0.5
assign (resid  124 and  name HD#   )(resid  124 and  name HN   ) 3.0 1.2 2.0
assign (resid   86 and  name HE#   )(resid  124 and  name HN   ) 4.0 2.2 3.0
assign (resid  124 and  name HA    )(resid  124 and  name HN   ) 4.0 2.2 1.0
assign (resid  123 and  name HA    )(resid  124 and  name HN   ) 2.2 0.4 0.3
assign (resid  124 and  name HB#   )(resid  124 and  name HN   ) 3.0 1.2 0.8
assign (resid  123 and  name HB#   )(resid  124 and  name HN   ) 3.0 1.2 0.8
assign (resid  123 and  name HD*   )(resid  124 and  name HN   ) 3.0 1.2 2.0
assign (resid   88 and  name HG*   )(resid  124 and  name HN   ) 4.0 2.2 2.0
!L147/125
assign (resid  124 and  name HN    )(resid  125 and  name HN   ) 5.0 3.2 1.0
assign (resid    7 and  name HN    )(resid  125 and  name HN   ) 4.0 2.2 1.0
assign (resid  124 and  name HD#   )(resid  125 and  name HN   ) 4.0 2.2 3.0
assign (resid    7 and  name HD#   )(resid  125 and  name HN   ) 3.0 1.2 2.5
assign (resid  124 and  name HA    )(resid  125 and  name HN   ) 3.0 1.2 0.5
assign (resid  125 and  name HA    )(resid  125 and  name HN   ) 4.0 2.2 1.0
assign (resid    8 and  name HA    )(resid  125 and  name HN   ) 4.0 2.2 1.0
assign (resid    7 and  name HB#   )(resid  125 and  name HN   ) 5.0 3.2 1.5
assign (resid  124 and  name HB#   )(resid  125 and  name HN   ) 3.0 1.2 1.0
assign (resid  125 and  name HB#   )(resid  125 and  name HN   ) 3.0 1.2 1.0
assign (resid  125 and  name HG    )(resid  125 and  name HN   ) 4.0 2.2 1.0
assign (resid  125 and  name HD*   )(resid  125 and  name HN   ) 4.0 2.2 2.5
!L149/127
assign (resid    5 and  name HN    )(resid  127 and  name HN   ) 4.0 2.2 1.0
assign (resid    7 and  name HN    )(resid  127 and  name HN   ) 5.0 3.2 1.0
assign (resid  126 and  name HA    )(resid  127 and  name HN   ) 2.2 0.4 0.3
assign (resid  127 and  name HA    )(resid  127 and  name HN   ) 3.0 1.2 0.5
assign (resid  128 and  name HD#   )(resid  127 and  name HN   ) 4.0 2.2 1.5
assign (resid  127 and  name HB#   )(resid  127 and  name HN   ) 3.0 1.2 1.0
assign (resid  127 and  name HG    )(resid  127 and  name HN   ) 3.0 1.2 0.5
assign (resid  127 and  name HD*   )(resid  127 and  name HN   ) 4.0 2.2 2.5
!V151/129
assign (resid    5 and  name HN    )(resid  129 and  name HN   ) 5.0 3.2 1.0
assign (resid    4 and  name HA    )(resid  129 and  name HN   ) 4.0 2.2 1.0
assign (resid  128 and  name HA    )(resid  129 and  name HN   ) 3.0 1.2 0.5
assign (resid  129 and  name HA    )(resid  129 and  name HN   ) 2.2 0.4 0.3
assign (resid  128 and  name HG#   )(resid  129 and  name HN   ) 3.0 1.2 1.0
assign (resid  129 and  name HB    )(resid  129 and  name HN   ) 2.2 0.4 0.3
assign (resid  129 and  name HG*   )(resid  129 and  name HN   ) 2.2 0.4 1.3
assign (resid    4 and  name HB#   )(resid  129 and  name HN   ) 4.0 2.2 1.5
!S152/130
assign (resid  129 and  name HA    )(resid  130 and  name HN   ) 3.0 1.2 0.5
assign (resid  130 and  name HA    )(resid  130 and  name HN   ) 3.0 1.2 0.5
assign (resid  130 and  name HB#   )(resid  130 and  name HN   ) 3.0 1.2 1.0
assign (resid  128 and  name HG#   )(resid  130 and  name HN   ) 5.0 3.2 1.5
assign (resid  129 and  name HB    )(resid  130 and  name HN   ) 2.2 0.4 0.3
assign (resid  129 and  name HG*   )(resid  130 and  name HN   ) 2.2 0.4 1.3
!S153/131
assign (resid  132 and  name HN    )(resid  131 and  name HN   ) 3.0 1.2 0.5
assign (resid  131 and  name HA    )(resid  131 and  name HN   ) 3.0 1.2 0.5
assign (resid  130 and  name HA    )(resid  131 and  name HN   ) 3.0 1.2 0.5
assign (resid  131 and  name HB#   )(resid  131 and  name HN   ) 2.2 0.4 0.8
assign (resid  129 and  name HG*   )(resid  131 and  name HN   ) 5.0 3.2 2.0
!D154/132
assign (resid  131 and  name HA    )(resid  132 and  name HN   ) 3.0 1.2 0.5
assign (resid  132 and  name HA    )(resid  132 and  name HN   ) 3.0 1.2 0.5
assign (resid  131 and  name HB#   )(resid  132 and  name HN   ) 2.2 0.4 0.8
assign (resid  132 and  name HB#   )(resid  132 and  name HN   ) 2.0 0.4 0.8
!The following are from the aromatic side chains-taken from 2D homonuclear 
!noesy spectra by Arun
!Y29/7
assign (resid    7 and  name HA    )(resid    7 and  name HD#  ) 3.5 1.7 2.0
assign (resid    7 and  name HA    )(resid    7 and  name HE#  ) 3.5 1.7 2.0
assign (resid    7 and  name HB#   )(resid    7 and  name HD#  ) 3.5 1.7 2.0
assign (resid    7 and  name HB#   )(resid    7 and  name HE#  ) 3.5 1.7 2.0
assign (resid   13 and  name HA    )(resid    7 and  name HD#  ) 3.5 1.7 2.0
assign (resid   13 and  name HA    )(resid    7 and  name HE#  ) 3.5 1.7 2.0
assign (resid   14 and  name HD#   )(resid    7 and  name HD#  ) 3.5 1.7 2.0
assign (resid   14 and  name HD#   )(resid    7 and  name HE#  ) 3.5 1.7 2.0
assign (resid   14 and  name HA    )(resid    7 and  name HD#  ) 3.5 1.7 2.0
assign (resid   14 and  name HA    )(resid    7 and  name HE#  ) 3.5 1.7 2.0
assign (resid    8 and  name HA    )(resid    7 and  name HD#  ) 3.5 1.7 2.0
assign (resid  125 and  name HD*   )(resid    7 and  name HD#  ) 3.5 1.7 2.0
assign (resid  125 and  name HD*   )(resid    7 and  name HE#  ) 3.5 1.7 2.0
assign (resid  125 and  name HB#   )(resid    7 and  name HD#  ) 3.5 1.7 2.0
assign (resid  125 and  name HB#   )(resid    7 and  name HE#  ) 3.5 1.7 2.0
!F36/14
assign (resid   14 and  name HA    )(resid   14 and  name HD#  ) 3.5 1.7 2.0
assign (resid   14 and  name HB#   )(resid   14 and  name HD#  ) 3.5 1.7 2.0
assign (resid   14 and  name HA    )(resid   14 and  name HE#  ) 3.5 1.7 2.0
assign (resid   14 and  name HB#   )(resid   14 and  name HE#  ) 3.5 1.7 2.0
assign (resid   14 and  name HA    )(resid   14 and  name HZ   ) 3.5 1.7 2.0
assign (resid   14 and  name HA    )(resid   14 and  name HZ   ) 3.5 1.7 2.0
assign (resid    6 and  name HN    )(resid   14 and  name HD#  ) 3.5 1.7 2.0
assign (resid    5 and  name HG    )(resid   14 and  name HD#  ) 3.5 1.7 2.0
assign (resid    5 and  name HD*   )(resid   14 and  name HD#  ) 3.5 1.7 2.0
assign (resid    5 and  name HB#   )(resid   14 and  name HD#  ) 3.5 1.7 2.0
assign (resid    7 and  name HA    )(resid   14 and  name HD#  ) 3.5 1.7 2.0
!F99/77
assign (resid   89 and  name HB#   )(resid   77 and  name HD#  ) 4.0 2.2 2.5
assign (resid   90 and  name HN    )(resid   77 and  name HD#  ) 3.5 1.7 2.0
assign (resid   91 and  name HN    )(resid   77 and  name HD#  ) 3.5 1.7 2.0
assign (resid   91 and  name HA    )(resid   77 and  name HD#  ) 3.5 1.7 2.0
assign (resid   91 and  name HB#   )(resid   77 and  name HD#  ) 3.5 1.7 2.0
assign (resid   92 and  name HN    )(resid   77 and  name HD#  ) 3.5 1.7 2.0
assign (resid   57 and  name HD*   )(resid   77 and  name HD#  ) 4.0 2.2 2.5
assign (resid   48 and  name HD#   )(resid   77 and  name HD#  ) 3.5 1.7 2.0
assign (resid   48 and  name HG*   )(resid   77 and  name HD#  ) 3.5 1.7 2.0
assign (resid   46 and  name HG*   )(resid   77 and  name HD#  ) 4.0 2.2 2.5
assign (resid   47 and  name HA    )(resid   77 and  name HD#  ) 3.5 1.7 2.0
assign (resid   48 and  name HN    )(resid   77 and  name HD#  ) 4.0 2.2 2.5
assign (resid   48 and  name HD#   )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   47 and  name HA    )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   92 and  name HA    )(resid   77 and  name HE#  ) 5.0 3.2 2.5
assign (resid   90 and  name HA    )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   48 and  name HN    )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   48 and  name HG#   )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   57 and  name HD*   )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   57 and  name HG    )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   58 and  name HA    )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   58 and  name HB#   )(resid   77 and  name HE#  ) 4.0 2.2 2.5
assign (resid   59 and  name HA    )(resid   77 and  name HE#  ) 3.5 1.7 2.0
assign (resid   59 and  name HB#   )(resid   77 and  name HE#  ) 3.5 1.7 2.0
!Y111/89
assign (resid   89 and  name HA    )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid   89 and  name HB#   )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid   48 and  name HD#   )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid   48 and  name HG1*  )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid  101 and  name HG*   )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid  101 and  name HB    )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid   48 and  name HG1*  )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid  124 and  name HD#   )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid    6 and  name HD*   )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid  124 and  name HB#   )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid  124 and  name HN    )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid   77 and  name HB#   )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid   46 and  name HG*   )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid   48 and  name HG2*  )(resid   89 and  name HD#  ) 3.5 1.7 2.0
assign (resid   89 and  name HA    )(resid   89 and  name HE#  ) 3.5 1.7 2.0
assign (resid   89 and  name HB#   )(resid   89 and  name HE#  ) 3.5 1.7 2.0
assign (resid   48 and  name HD#   )(resid   89 and  name HE#  ) 3.5 1.7 2.0
assign (resid  124 and  name HD#   )(resid   89 and  name HE#  ) 3.5 1.7 2.0
assign (resid    6 and  name HD*   )(resid   89 and  name HE#  ) 3.5 1.7 2.0
assign (resid  124 and  name HA    )(resid   89 and  name HE#  ) 5.0 3.2 2.0
assign (resid  124 and  name HB#   )(resid   89 and  name HE#  ) 3.5 1.7 2.0
assign (resid  124 and  name HN    )(resid   89 and  name HE#  ) 3.5 1.7 2.0
assign (resid   46 and  name HG*   )(resid   89 and  name HE#  ) 3.5 1.7 2.0
assign (resid   87 and  name HB#   )(resid   89 and  name HE#  ) 3.5 1.7 2.0
!F146/124
assign (resid    6 and  name HD*   )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid   89 and  name HB#   )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid    8 and  name HB#   )(resid  124 and  name HD#  ) 5.0 3.2 2.5
assign (resid    8 and  name HA    )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid    6 and  name HB#   )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid    6 and  name HD*   )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid   15 and  name HB#   )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid    7 and  name HN    )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid   15 and  name HD*   )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid  103 and  name HB#   )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid  103 and  name HB#   )(resid  124 and  name HE#  ) 3.5 1.7 2.0
assign (resid  103 and  name HG*   )(resid  124 and  name HD#  ) 3.5 1.7 2.0
assign (resid  103 and  name HG*   )(resid  124 and  name HE#  ) 3.5 1.7 2.0
assign (resid  102 and  name HA#   )(resid  124 and  name HE#  ) 3.5 1.7 2.0
assign (resid   15 and  name HD*   )(resid  124 and  name HE#  ) 3.5 1.7 2.0
assign (resid    6 and  name HB#   )(resid  124 and  name HE#  ) 3.5 1.7 2.0
!F122/100
assign (resid  115 and  name HB    )(resid  100 and  name HD#  ) 3.5 1.7 2.0
assign (resid  115 and  name HA    )(resid  100 and  name HD#  ) 3.5 1.7 2.0
assign (resid  115 and  name HG*   )(resid  100 and  name HD#  ) 3.5 1.7 2.0
assign (resid  115 and  name HG1   )(resid  100 and  name HD#  ) 3.5 1.7 2.0
assign (resid  117 and  name HN    )(resid  100 and  name HD#  ) 3.5 1.7 2.0
assign (resid  122 and  name HB#   )(resid  100 and  name HD#  ) 3.5 1.7 2.0
assign (resid  122 and  name HD#   )(resid  100 and  name HD#  ) 3.5 1.7 2.0
assign (resid   89 and  name HB#   )(resid  100 and  name HD#  ) 4.0 2.2 2.5
assign (resid   89 and  name HN    )(resid  100 and  name HD#  ) 3.5 1.7 2.0
assign (resid   88 and  name HG*   )(resid  100 and  name HD#  ) 3.5 1.7 2.0
!T137-OH/115
assign (resid  100 and  name HB#   )(resid  115 and  name HG1  ) 3.5 1.7 2.0
assign (resid  100 and  name HD#   )(resid  115 and  name HG1  ) 3.5 1.7 2.0
assign (resid  100 and  name HN    )(resid  115 and  name HG1  ) 3.5 1.7 2.0
assign (resid  122 and  name HG*   )(resid  115 and  name HG1  ) 3.5 1.7 2.0
assign (resid  112 and  name HA*   )(resid  115 and  name HG1  ) 3.5 1.7 2.0

!HA to HA constraints taken from 2D homonuclear noesy spectra by Arun

 assign (resid    4 and  name HA    )(resid  128 and  name HA   ) 3.0 1.2 1.0
 assign (resid    6 and  name HA    )(resid  126 and  name HA   ) 2.5 0.7 1.0
 assign (resid    8 and  name HA    )(resid  124 and  name HA   ) 2.5 0.7 1.0
 assign (resid    7 and  name HA    )(resid   14 and  name HA   ) 3.0 1.2 1.0
 assign (resid   15 and  name HA    )(resid   25 and  name HA#  ) 2.5 0.7 1.5
 assign (resid   36 and  name HA    )(resid   50 and  name HA   ) 2.5 0.7 1.0
 assign (resid   38 and  name HA    )(resid   48 and  name HA   ) 3.0 1.2 1.0
 assign (resid   40 and  name HA    )(resid   46 and  name HA   ) 2.5 0.7 1.0
 assign (resid   45 and  name HA    )(resid   78 and  name HA   ) 3.0 1.2 0.5
 assign (resid   86 and  name HA    )(resid  125 and  name HA   ) 4.0 2.2 1.0
 assign (resid   81 and  name HA    )(resid   87 and  name HA   ) 2.5 0.7 1.0
 assign (resid   79 and  name HA    )(resid   89 and  name HA   ) 3.0 1.2 1.0
 assign (resid   77 and  name HA    )(resid   91 and  name HA   ) 3.5 1.2 1.0
 assign (resid   49 and  name HA    )(resid   56 and  name HA   ) 3.0 1.2 1.0
 assign (resid   59 and  name HA    )(resid   65 and  name HA   ) 3.0 1.2 1.0
 assign (resid   57 and  name HA    )(resid   67 and  name HA   ) 2.5 0.7 1.0
 assign (resid   17 and  name HA    )(resid   23 and  name HA   ) 2.5 0.7 1.0
 assign (resid  100 and  name HA    )(resid   90 and  name HA   ) 4.0 2.2 1.0

!Hydrogen bonds-compared with H/D exchange data (final expt.)and secondary 
!structure arragements - standard distance has been used as 2.7 0.5 0.3 and 
!2.0 0.5 0.5
 assign (resid    6 and  name N     )(resid   15 and  name O    ) 2.7 0.5 0.3
 assign (resid    6 and  name HN    )(resid   15 and  name O    ) 2.0 0.5 0.5
 assign (resid    7 and  name N     )(resid  125 and  name O    ) 2.7 0.5 0.3
 assign (resid    7 and  name HN    )(resid  125 and  name O    ) 2.0 0.5 0.5
 assign (resid    8 and  name N     )(resid   13 and  name O    ) 3.0 1.2 0.5
 assign (resid    8 and  name HN    )(resid   13 and  name O    ) 3.0 1.2 0.5
 assign (resid   14 and  name N     )(resid   26 and  name O    ) 2.7 0.5 0.3
 assign (resid   14 and  name HN    )(resid   26 and  name O    ) 2.0 0.5 0.5
 assign (resid   15 and  name N     )(resid    6 and  name O    ) 2.7 0.5 0.3
 assign (resid   15 and  name HN    )(resid    6 and  name O    ) 2.0 0.5 0.5
 assign (resid   24 and  name N     )(resid   16 and  name O    ) 2.7 0.5 0.3
 assign (resid   24 and  name HN    )(resid   16 and  name O    ) 2.0 0.5 0.5
 assign (resid   26 and  name N     )(resid   14 and  name O    ) 2.7 0.5 0.3
 assign (resid   26 and  name HN    )(resid   14 and  name O    ) 2.0 0.5 0.5
 assign (resid   36 and  name N     )(resid    4 and  name O    ) 2.7 0.5 0.3
 assign (resid   36 and  name HN    )(resid    4 and  name O    ) 2.0 0.5 0.5
 assign (resid   37 and  name N     )(resid   49 and  name O    ) 2.7 0.5 0.3
 assign (resid   37 and  name HN    )(resid   49 and  name O    ) 2.0 0.5 0.5
 assign (resid   46 and  name N     )(resid   77 and  name O    ) 2.7 0.5 0.3
 assign (resid   46 and  name HN    )(resid   77 and  name O    ) 2.0 0.5 0.5
 assign (resid   47 and  name N     )(resid   39 and  name O    ) 2.7 0.5 0.3
 assign (resid   47 and  name HN    )(resid   39 and  name O    ) 2.0 0.5 0.5
 assign (resid   49 and  name N     )(resid   37 and  name O    ) 2.7 0.5 0.3
 assign (resid   49 and  name HN    )(resid   37 and  name O    ) 2.0 0.5 0.5
 assign (resid   56 and  name N     )(resid   68 and  name O    ) 2.7 0.5 0.3
 assign (resid   56 and  name HN    )(resid   68 and  name O    ) 2.0 0.5 0.5
 assign (resid   58 and  name N     )(resid   66 and  name O    ) 2.7 0.5 0.3
 assign (resid   58 and  name HN    )(resid   66 and  name O    ) 2.0 0.5 0.5
 assign (resid   60 and  name N     )(resid   64 and  name O    ) 2.7 0.5 0.3
 assign (resid   60 and  name HN    )(resid   64 and  name O    ) 2.0 0.5 0.5
 assign (resid   77 and  name N     )(resid   46 and  name O    ) 2.7 0.5 0.3
 assign (resid   77 and  name HN    )(resid   46 and  name O    ) 2.0 0.5 0.5
 assign (resid   78 and  name N     )(resid   90 and  name O    ) 3.5 1.7 0.5
 assign (resid   78 and  name HN    )(resid   90 and  name O    ) 3.5 1.7 0.5
 assign (resid  101 and  name N     )(resid   90 and  name O    ) 3.5 1.7 0.5
 assign (resid  101 and  name HN    )(resid   90 and  name O    ) 3.0 1.2 0.5
 assign (resid  125 and  name N     )(resid    7 and  name O    ) 2.7 0.5 0.3
 assign (resid  125 and  name HN    )(resid    7 and  name O    ) 2.0 0.5 0.5
 assign (resid    4 and  name N     )(resid   36 and  name O    ) 2.7 0.5 0.3
 assign (resid    4 and  name HN    )(resid   36 and  name O    ) 2.0 0.5 0.5 
 assign (resid   87 and  name N     )(resid  124 and  name O    ) 2.7 0.5 0.3
 assign (resid   87 and  name HN    )(resid  124 and  name O    ) 2.0 0.5 0.5
 assign (resid   88 and  name N     )(resid   80 and  name O    ) 2.7 0.5 0.3
 assign (resid   88 and  name HN    )(resid   80 and  name O    ) 2.0 0.5 0.5

!NOEs from 13C-NOESY
!V151/129
 assign (resid  129 and  name HB    )(resid    5 and  name HD*  ) 4.0 2.2 2.5
 assign (resid  129 and  name HG*   )(resid    5 and  name HD*  ) 4.0 2.2 2.5
!V123/101
 assign (resid  101 and  name HG*   )(resid   48 and  name HD#  ) 5.0 3.2 3.0
!assign (resid  101 and  name HG*   )(resid   65 and  name HD*  ) 3.5 1.7 2.5
!assign (resid  101 and  name HG*   )(resid   78 and  name HA   ) 5.0 3.2 3.0
!assign (resid  101 and  name HG*   )(resid  124 and  name HE#  ) 3.5 1.7 2.5
!assign (resid  101 and  name HG*   )(resid   80 and  name HN   ) 3.5 1.7 2.5
!V115/93
 assign (resid   93 and  name HB    )(resid   92 and  name HB#  ) 4.0 2.2 2.0
 assign (resid   93 and  name HB    )(resid   73 and  name HB#  ) 4.0 2.2 2.0
!V68/46
 assign (resid   46 and  name HB    )(resid   40 and  name HA   ) 4.0 2.2 1.0
!assign (resid   46 and  name HB    )(resid   38 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   46 and  name HG*   )(resid   38 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   46 and  name HG*   )(resid   89 and  name HE#  ) 4.0 2.2 2.0
 assign (resid   46 and  name HG*   )(resid   48 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   46 and  name HG*   )(resid   77 and  name HB#  ) 4.0 2.2 2.0
 assign (resid   46 and  name HG*   )(resid   77 and  name HN   ) 4.0 2.2 2.0
!V45/23
 assign (resid   23 and  name HB    )(resid   16 and  name HN   ) 5.0 3.2 2.0
 
!L27/5
 assign (resid    5 and  name HD*   )(resid   14 and  name HB#  ) 4.0 2.2 2.5
 assign (resid    5 and  name HD*   )(resid   14 and  name HD#  ) 4.0 2.2 2.0
 assign (resid    5 and  name HD*   )(resid  129 and  name HA   ) 4.0 2.2 2.0
 assign (resid    5 and  name HG    )(resid  129 and  name HG#  ) 2.2 0.4 1.0
 assign (resid    5 and  name HG    )(resid   35 and  name HA   ) 4.0 2.2 1.5
 
!L28/6
 assign (resid    6 and  name HD*   )(resid  124 and  name HD#  ) 3.5 1.7 2.5
 assign (resid    6 and  name HD*   )(resid  126 and  name HA   ) 4.0 2.2 2.0
!assign (resid    6 and  name HD*   )(resid  101 and  name HB#  ) 4.0 2.2 2.5
 assign (resid    6 and  name HD*   )(resid   48 and  name HD#  ) 4.0 2.2 2.0

!I39/17
!assign (resid    17 and  name HG*   )(resid  45 and  name HA   ) 4.0 2.2 2.5

!L145/123
 assign (resid   122 and  name HD#   )(resid  123 and  name HD* ) 5.0 3.2 2.0

!L147/125
 assign (resid   126 and  name HG#   )(resid  125 and  name HA  ) 5.0 3.2 1.5
 assign (resid   126 and  name HD#   )(resid  125 and  name HA  ) 3.0 1.2 1.0
 assign (resid    86 and  name HA    )(resid  126 and  name HA  ) 4.0 2.2 2.0
 assign (resid    86 and  name HB#   )(resid  126 and  name HA  ) 5.0 3.2 1.5
 assign (resid     7 and  name HD*   )(resid  126 and  name HA  ) 4.0 2.2 3.0
!I144/122
 assign (resid   101 and  name HN    )(resid  122 and  name HD# ) 5.0 3.2 1.5
 assign (resid    89 and  name HN    )(resid  122 and  name HD# ) 5.0 3.2 1.5
 assign (resid   119 and  name HB#   )(resid  122 and  name HD# ) 4.0 2.2 2.5
 assign (resid   101 and  name HN    )(resid  122 and  name HG* ) 4.0 2.2 3.0
!assign (resid   124 and  name HE#   )(resid  122 and  name HG* ) 4.0 2.2 5.0
 assign (resid    89 and  name HN    )(resid  122 and  name HG* ) 5.0 3.2 2.0
 assign (resid   119 and  name HB#   )(resid  122 and  name HG* ) 4.0 2.2 3.0
!A143/121
 assign (resid   103 and  name HN    )(resid  121 and  name HB# ) 4.0 2.2 2.0
 assign (resid   123 and  name HN    )(resid  121 and  name HB# ) 5.0 3.2 1.5
 assign (resid   122 and  name HN    )(resid  121 and  name HB# ) 4.0 2.2 2.0
 assign (resid   102 and  name HA#   )(resid  121 and  name HB# ) 4.0 2.2 2.5
 assign (resid    10 and  name HB#   )(resid  121 and  name HB# ) 4.0 2.2 2.0
 assign (resid    10 and  name HB#   )(resid  121 and  name HA  ) 3.0 1.2 1.5
 assign (resid   122 and  name HG*   )(resid  121 and  name HB# ) 4.0 2.2 1.0
 assign (resid   103 and  name HN    )(resid  121 and  name HA  ) 3.0 1.2 1.0
 assign (resid   122 and  name HD#   )(resid  121 and  name HB# ) 5.0 3.2 2.0
 assign (resid   101 and  name HN    )(resid  121 and  name HB# ) 5.0 3.2 1.5
!assign (resid   100 and  name HN    )(resid  121 and  name HB# ) 4.0 2.2 1.5
!assign (resid   119 and  name HB#   )(resid  121 and  name HB# ) 4.0 2.2 2.0
!V123/101
 assign (resid   102 and  name HN    )(resid  101 and  name HG* ) 3.0 1.2 2.0
 assign (resid   124 and  name HE#   )(resid  101 and  name HG* ) 4.0 2.2 3.0
 assign (resid    77 and  name HE#   )(resid  101 and  name HG* ) 4.0 2.2 3.0
 assign (resid    48 and  name HD#   )(resid  101 and  name HG* ) 4.0 2.2 2.0
!A117/95
 assign (resid    78 and  name HD*   )(resid   95 and  name HG* ) 3.0 1.2 2.5
!I125/103
 assign (resid     8 and  name HN    )(resid  103 and  name HD# ) 4.0 2.2 2.0
 assign (resid     8 and  name HN    )(resid  103 and  name HG* ) 4.0 2.2 2.0
!assign (resid    82 and  name HN    )(resid  103 and  name HG* ) 4.0 2.2 2.0
!assign (resid    82 and  name HN    )(resid  103 and  name HD# ) 4.0 2.2 2.0
 assign (resid   124 and  name HE#   )(resid  103 and  name HG* ) 4.0 2.2 3.5
!assign (resid   124 and  name HE#   )(resid  103 and  name HD# ) 3.0 1.2 3.0
 assign (resid    25 and  name HN    )(resid  103 and  name HG* ) 5.0 3.2 2.0
 assign (resid    25 and  name HN    )(resid  103 and  name HD# ) 5.0 3.2 2.0
 assign (resid    13 and  name HD#   )(resid  103 and  name HD# ) 5.0 3.2 2.5
 assign (resid    13 and  name HN    )(resid  103 and  name HG* ) 5.0 3.2 2.0
 assign (resid    13 and  name HN    )(resid  103 and  name HD# ) 4.0 2.2 1.5
 assign (resid    25 and  name HA#   )(resid  103 and  name HD# ) 4.0 2.2 2.0
 assign (resid    25 and  name HA#   )(resid  103 and  name HG* ) 5.0 3.2 2.0
 assign (resid    13 and  name HB#   )(resid  103 and  name HG* ) 3.0 1.2 2.5
 assign (resid    13 and  name HB#   )(resid  103 and  name HD# ) 3.0 1.2 2.5
 assign (resid   107 and  name HA    )(resid  103 and  name HG* ) 4.0 2.2 2.0
!V115/93
!assign (resid    70 and  name HB#   )(resid   93 and  name HG* ) 4.0 2.2 2.0
!Y29/7
 assign (resid    14 and  name HD#   )(resid    7 and  name HB# ) 3.5 1.7 3.5
 assign (resid   127 and  name HB#   )(resid    7 and  name HB# ) 3.5 1.7 2.5
!L98/76
 assign (resid    45 and  name HG#   )(resid   76 and  name HD* ) 4.0 2.2 2.5
 assign (resid    46 and  name HN    )(resid   76 and  name HD* ) 4.0 2.2 2.0
!C30/8
 assign (resid   124 and  name HE#   )(resid    8 and  name HB# ) 2.2 0.4 2.5
 assign (resid   103 and  name HD#   )(resid    8 and  name HB# ) 4.0 2.2 2.0
!A89/67
 assign (resid    56 and  name HA    )(resid   67 and  name HB# ) 5.0 3.2 1.5
 assign (resid    66 and  name HD#   )(resid   67 and  name HB# ) 4.0 2.2 3.0
!F36/14
 assign (resid     7 and  name HB#   )(resid   14 and  name HA  ) 4.0 2.2 2.0
!assign (resid    15 and  name HD*   )(resid   14 and  name HA  ) 4.0 2.2 2.0
!L73/51
 assign (resid    35 and  name HB#   )(resid   51 and  name HG  ) 4.0 2.2 1.5
 assign (resid    35 and  name HB#   )(resid   51 and  name HB# ) 4.0 2.2 2.0
 assign (resid    35 and  name HB#   )(resid   51 and  name HD* ) 5.0 3.2 2.0
!K26/4
 assign (resid   126 and  name HB#   )(resid    4 and  name HB# ) 4.0 2.2 2.0
!N32/10
 assign (resid   121 and  name HA   )(resid    10 and  name HB# ) 3.0 1.2 1.5
 assign (resid   121 and  name HB#  )(resid    10 and  name HB# ) 4.0 2.2 1.5
 assign (resid   120 and  name HB#  )(resid    10 and  name HB# ) 4.0 2.2 1.5
!G33/11
 assign (resid    13 and  name HD#  )(resid    11 and  name HA# ) 2.2 0.4 3.0
 assign (resid    13 and  name HE#  )(resid    11 and  name HA# ) 3.0 1.2 3.0
!I70/48
 assign (resid   101 and  name HG*  )(resid    48 and  name HD# ) 3.0 1.2 2.0
 assign (resid    36 and  name HD*  )(resid    48 and  name HD# ) 3.0 1.2 2.5
 assign (resid    36 and  name HD*  )(resid    48 and  name HG* ) 5.0 3.2 2.5
 assign (resid    46 and  name HG*  )(resid    48 and  name HD# ) 5.0 3.2 2.0
 assign (resid    46 and  name HG*  )(resid    48 and  name HG* ) 3.0 1.2 2.5
 assign (resid    57 and  name HB#  )(resid    48 and  name HD# ) 4.0 2.2 2.0
 assign (resid    57 and  name HB#  )(resid    48 and  name HG* ) 4.0 2.2 2.5
 assign (resid    89 and  name HB#  )(resid    48 and  name HG* ) 4.0 2.2 2.0
 assign (resid    77 and  name HB#  )(resid    48 and  name HG* ) 4.0 2.2 2.0
 assign (resid    38 and  name HA   )(resid    48 and  name HD# ) 5.0 3.2 1.5
 assign (resid    38 and  name HA   )(resid    48 and  name HG* ) 5.0 3.2 2.0
 assign (resid    89 and  name HD#  )(resid    48 and  name HD# ) 5.0 3.2 3.0
 assign (resid    89 and  name HD#  )(resid    48 and  name HG* ) 3.0 1.2 3.0
 assign (resid    77 and  name HD#  )(resid    48 and  name HD# ) 5.0 3.2 3.0
 assign (resid    77 and  name HD#  )(resid    48 and  name HG* ) 3.0 1.2 3.0
 assign (resid    38 and  name HD#  )(resid    48 and  name HD# ) 5.0 3.2 3.0
 assign (resid    38 and  name HD#  )(resid    48 and  name HG* ) 3.0 1.2 3.0
 assign (resid    49 and  name HN   )(resid    48 and  name HD# ) 3.0 1.2 2.0
 assign (resid    49 and  name HN   )(resid    48 and  name HG* ) 4.0 2.2 2.0
 assign (resid    37 and  name HN   )(resid    48 and  name HD# ) 4.0 2.2 1.5
!I39/17
 assign (resid    50 and  name HN   )(resid    17 and  name HG* ) 5.0 3.2 2.0
 assign (resid    23 and  name HA   )(resid    17 and  name HG* ) 4.0 2.2 2.0
 assign (resid    21 and  name HA#  )(resid    17 and  name HG* ) 4.0 2.2 2.0
!assign (resid    45 and  name HB#  )(resid    17 and  name HG* ) 4.0 2.2 2.0
 assign (resid    55 and  name HB#  )(resid    17 and  name HG* ) 4.5 2.7 1.5
 assign (resid    21 and  name HA#  )(resid    17 and  name HB# ) 5.0 3.2 2.0
 assign (resid    23 and  name HA   )(resid    17 and  name HA  ) 2.2 0.4 0.8
 assign (resid    21 and  name HA#  )(resid    17 and  name HA  ) 5.0 3.2 1.5
!V45/23
 assign (resid   109 and  name HG#  )(resid    23 and  name HB  ) 3.0 1.2 1.5
 assign (resid    65 and  name HB#  )(resid    23 and  name HB  ) 3.0 1.2 1.5
 assign (resid    65 and  name HB#  )(resid    23 and  name HG* ) 4.0 2.2 2.0
!D46/24
 assign (resid    15 and  name HD*  )(resid    24 and  name HA  ) 4.0 2.2 2.0
 assign (resid    23 and  name HB   )(resid    24 and  name HA  ) 4.0 2.2 1.5
 assign (resid   109 and  name HG#  )(resid    24 and  name HA  ) 2.2 0.4 1.5
 assign (resid   108 and  name HA   )(resid    24 and  name HA  ) 5.0 3.2 1.5
!R49/27
 assign (resid    13 and  name HD#  )(resid    27 and  name HD# ) 4.0 2.2 2.0
 assign (resid    13 and  name HE#  )(resid    27 and  name HD# ) 3.0 1.2 2.0
!D5028
 assign (resid    31 and  name HN   )(resid    28 and  name HA  ) 3.0 1.2 1.0
 assign (resid    27 and  name HB#  )(resid    28 and  name HA  ) 4.0 2.2 1.5
!T48/26
 assign (resid    14 and  name HN   )(resid    26 and  name HG# ) 3.0 1.2 1.0
!assign (resid    13 and  name HN   )(resid    26 and  name HG# ) 4.0 2.2 1.5 
 assign (resid    14 and  name HD#  )(resid    26 and  name HG# ) 4.0 2.2 2.5
 assign (resid    14 and  name HD#  )(resid    26 and  name HA  ) 4.0 2.2 2.0
 assign (resid    13 and  name HD#  )(resid    26 and  name HA  ) 3.0 1.2 2.0
 assign (resid    13 and  name HD#  )(resid    26 and  name HB  ) 5.0 3.2 2.0
 assign (resid    13 and  name HE#  )(resid    26 and  name HA  ) 4.0 2.2 2.0
 assign (resid    34 and  name HA   )(resid    26 and  name HG# ) 4.0 2.2 1.5 
 assign (resid    14 and  name HB#  )(resid    26 and  name HG# ) 4.0 2.2 2.0
 assign (resid    28 and  name HB#  )(resid    26 and  name HG# ) 4.0 2.2 2.0
 assign (resid    28 and  name HB#  )(resid    26 and  name HB  ) 5.0 3.2 1.5
 assign (resid    28 and  name HB#  )(resid    26 and  name HA  ) 4.0 2.2 1.5
 assign (resid    31 and  name HB#  )(resid    26 and  name HG# ) 3.0 1.2 1.5
 assign (resid    34 and  name HG*  )(resid    26 and  name HG# ) 2.2 0.4 2.0
 assign (resid    34 and  name HG*  )(resid    26 and  name HB# ) 5.0 3.2 2.0
 assign (resid    34 and  name HD#  )(resid    26 and  name HG# ) 3.0 1.2 2.0 
!I56/34
 assign (resid    33 and  name HN   )(resid    34 and  name HG* ) 3.0 1.2 2.0
!A62/40
 assign (resid    45 and  name HN   )(resid    40 and  name HA  ) 5.0 3.2 1.5
!assign (resid    45 and  name HN   )(resid    40 and  name HB# ) 4.0 2.2 1.5 
 assign (resid    47 and  name HN   )(resid    40 and  name HA  ) 3.0 1.2 1.5
 assign (resid    47 and  name HN   )(resid    40 and  name HB# ) 4.0 2.2 1.5
 assign (resid    46 and  name HA   )(resid    40 and  name HA  ) 4.0 2.2 1.5 
 assign (resid    46 and  name HA   )(resid    40 and  name HB# ) 4.0 2.2 1.5 
 assign (resid    42 and  name HA   )(resid    40 and  name HB# ) 4.0 2.2 1.5 
 assign (resid    47 and  name HB#  )(resid    40 and  name HB# ) 5.0 3.2 1.5
 assign (resid    46 and  name HB   )(resid    40 and  name HA  ) 3.0 1.2 1.5
 assign (resid    46 and  name HG*  )(resid    40 and  name HB# ) 3.0 1.2 2.0
 assign (resid    46 and  name HG*  )(resid    40 and  name HA  ) 2.2 0.4 1.5
 assign (resid    41 and  name HN   )(resid    40 and  name HA  ) 5.0 3.2 1.5
 assign (resid    41 and  name HN   )(resid    40 and  name HB# ) 5.0 3.2 1.5
 
!S64/42
 assign (resid    43 and  name HB   )(resid    42 and  name HB# ) 3.0 1.2 1.5
!assign (resid    40 and  name HB#  )(resid    42 and  name HB# ) 2.2 0.4 1.0
!S72/50
 assign (resid    36 and  name HD*  )(resid    50 and  name HB# ) 3.0 1.2 1.5
!T75/53
 assign (resid    33 and  name HD#  )(resid    53 and  name HG# ) 3.0 1.2 1.5 
 assign (resid    33 and  name HE#  )(resid    53 and  name HG# ) 3.0 1.2 1.5
!A80/58
 assign (resid    66 and  name HD#  )(resid    58 and  name HB# ) 3.0 1.2 2.0
 assign (resid    66 and  name HD#  )(resid    58 and  name HE# ) 3.0 1.2 2.0
 assign (resid    75 and  name HA   )(resid    58 and  name HB# ) 3.0 1.2 1.0
 assign (resid    75 and  name HA   )(resid    58 and  name HA  ) 2.5 0.7 0.5
 assign (resid    68 and  name HB#  )(resid    58 and  name HB# ) 3.0 1.2 2.0
 assign (resid    68 and  name HB#  )(resid    58 and  name HA  ) 4.0 2.2 1.0
!G85/63
 assign (resid   112 and  name HA#  )(resid    63 and  name HA# ) 3.0 1.2 2.0
 assign (resid    59 and  name HG#  )(resid    63 and  name HA# ) 2.2 0.4 1.5
!T131/109
 assign (resid    24 and  name HN   )(resid   109 and  name HG# ) 4.0 2.2 1.5
 assign (resid   108 and  name HA   )(resid   109 and  name HG# ) 5.0 3.2 1.5
 assign (resid    23 and  name HB   )(resid   109 and  name HG# ) 2.2 0.4 1.0
 assign (resid    24 and  name HA   )(resid   109 and  name HG# ) 3.0 1.2 2.0
 assign (resid    24 and  name HB#  )(resid   109 and  name HG# ) 3.0 1.2 2.0
 assign (resid    23 and  name HG*  )(resid   109 and  name HG# ) 2.2 0.4 1.5
!assign (resid    43 and  name HG*  )(resid   109 and  name HG# ) 4.0 2.2 1.5
 assign (resid    15 and  name HD*  )(resid   109 and  name HG# ) 4.0 2.2 2.5
 assign (resid    65 and  name HG   )(resid   109 and  name HG# ) 5.0 3.2 2.0
 assign (resid    65 and  name HG   )(resid   109 and  name HB  ) 4.0 2.2 2.5
 assign (resid    65 and  name HD*  )(resid   109 and  name HB  ) 4.0 2.2 2.5
!L87/65
 assign (resid    66 and  name HN   )(resid    65 and  name HD* ) 4.0 2.2 2.0
 assign (resid    77 and  name HE#  )(resid    65 and  name HD* ) 3.0 2.2 2.5
 assign (resid    77 and  name HZ   )(resid    65 and  name HD* ) 3.0 2.2 2.5
 assign (resid    59 and  name HA   )(resid    65 and  name HD* ) 4.0 2.2 2.0
 assign (resid   101 and  name HG*  )(resid    65 and  name HD* ) 3.0 2.2 2.0
 assign (resid    57 and  name HD*  )(resid    65 and  name HD* ) 4.0 2.2 2.5
 assign (resid   101 and  name HG*  )(resid    65 and  name HD* ) 4.0 2.2 2.5
!T110/88
!assign (resid    64 and  name HE#  )(resid    88 and  name HG# ) 4.0 2.2 2.5
!assign (resid    64 and  name HD#  )(resid    88 and  name HG# ) 4.0 2.2 2.5
 assign (resid   123 and  name HD*  )(resid    88 and  name HG# ) 4.0 2.2 2.0
!assign (resid    82 and  name HB#  )(resid    88 and  name HG# ) 3.0 1.2 1.5
 assign (resid   122 and  name HD#  )(resid    88 and  name HG# ) 4.0 2.2 1.5
 assign (resid   123 and  name HA   )(resid    88 and  name HG# ) 3.0 1.2 1.5
!T137/115
 assign (resid   122 and  name HD#  )(resid   115 and  name HG# ) 3.0 1.2 2.0
 assign (resid   100 and  name HD#  )(resid   115 and  name HG# ) 3.0 1.2 2.0
 assign (resid   100 and  name HN   )(resid   115 and  name HG# ) 3.0 1.2 2.0
 assign (resid   100 and  name HB   )(resid   115 and  name HG# ) 3.0 1.2 2.0

 !Newly added constraints:

 assign (resid    21 and  name HG#  )(resid    17 and  name HG# ) 4.0 2.2 2.0
 assign (resid    57 and  name HA   )(resid    17 and  name HG# ) 4.0 2.2 1.5
 assign (resid    86 and  name HE#  )(resid    82 and  name HG# ) 4.0 2.2 2.5
 assign (resid    86 and  name HD#  )(resid    82 and  name HB# ) 4.0 2.2 2.5
 assign (resid    81 and  name HD*  )(resid    82 and  name HG# ) 3.5 1.7 1.0
 assign (resid   122 and  name HG#  )(resid    88 and  name HG# ) 4.0 2.2 1.5
 assign (resid     7 and  name HG#  )(resid    12 and  name HA# ) 4.0 2.2 1.5
 assign (resid    44 and  name HB#  )(resid    20 and  name HB# ) 4.0 2.2 1.5
 
 !these constrains taken especially from loops on 15.04.2k
 
 assign (resid    19 and  name HG#  )(resid    18 and  name HB# ) 4.0 2.2 2.0
 assign (resid    19 and  name HD#  )(resid    18 and  name HB# ) 3.5 1.7 2.0
 assign (resid    67 and  name HB#  )(resid    21 and  name HA# ) 4.0 2.2 1.5
 assign (resid    45 and  name HG#  )(resid    43 and  name HB  ) 4.0 2.2 1.0
 assign (resid    43 and  name HG1  )(resid    44 and  name HA# ) 5.0 3.2 1.5
 assign (resid    43 and  name HG2  )(resid    44 and  name HA# ) 5.0 3.2 1.5
 assign (resid    43 and  name HG3  )(resid    44 and  name HA# ) 5.0 3.2 1.5
 assign (resid    43 and  name HB   )(resid    44 and  name HG# ) 4.0 2.2 1.5
 assign (resid    43 and  name HB   )(resid    45 and  name HG# ) 4.0 2.2 1.5
 assign (resid    82 and  name HA   )(resid    83 and  name HA  ) 4.0 2.2 1.5
 assign (resid    81 and  name HD*  )(resid    84 and  name HA  ) 3.5 1.7 1.5
 assign (resid    86 and  name HD#  )(resid    85 and  name HB# ) 4.0 2.2 2.0
 assign (resid    22 and  name HB#  )(resid    20 and  name HB# ) 4.0 2.2 2.0
 assign (resid    81 and  name HD#  )(resid    87 and  name HA  ) 5.0 3.2 1.5
 assign (resid   103 and  name HD#  )(resid   106 and  name HG# ) 5.0 3.2 1.5
 

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLN   1          1H        GLN   1   5.668   1.930 -16.209
    2   2H    GLN   1          2H        GLN   1   4.404   2.472 -17.210
    3   3H    GLN   1          3H        GLN   1   5.817   2.172 -17.905
    4    HA   GLN   1           HA       GLN   1   3.602   0.597 -17.542
    5   1HB   GLN   1          2HB       GLN   1   4.825  -0.792 -19.161
    6   2HB   GLN   1          1HB       GLN   1   4.966   0.885 -19.567
    7   1HG   GLN   1          2HG       GLN   1   7.282   1.032 -19.032
    8   2HG   GLN   1          1HG       GLN   1   7.212  -0.297 -17.909
    9   1HE2  GLN   1          1HE2      GLN   1   9.041  -1.321 -18.893
   10   2HE2  GLN   1          2HE2      GLN   1   8.753  -2.115 -20.425
   11    H    LYS   2           HN       LYS   2   4.145   0.243 -14.879
   12    HA   LYS   2           HA       LYS   2   5.179  -2.105 -14.044
   13   1HB   LYS   2          2HB       LYS   2   7.502  -0.091 -13.989
   14   2HB   LYS   2          1HB       LYS   2   7.504  -1.606 -13.167
   15   1HG   LYS   2          2HG       LYS   2   7.681  -1.137 -16.127
   16   2HG   LYS   2          1HG       LYS   2   8.869  -1.842 -15.111
   17   1HD   LYS   2          2HD       LYS   2   7.806  -3.953 -14.997
   18   2HD   LYS   2          1HD       LYS   2   6.240  -3.310 -15.289
   19   1HE   LYS   2          2HE       LYS   2   7.277  -2.702 -17.731
   20   2HE   LYS   2          1HE       LYS   2   8.291  -4.065 -17.365
   21   1HZ   LYS   2          1HZ       LYS   2   6.535  -5.144 -18.259
   22   2HZ   LYS   2          2HZ       LYS   2   5.499  -3.846 -17.957
   23   3HZ   LYS   2          3HZ       LYS   2   5.828  -4.947 -16.706
   24    HA   PRO   3           HA       PRO   3   4.882   0.782 -10.252
   25   1HB   PRO   3          2HB       PRO   3   4.039   3.403 -10.663
   26   2HB   PRO   3          1HB       PRO   3   5.731   2.958 -10.724
   27   1HG   PRO   3          2HG       PRO   3   3.829   3.405 -12.965
   28   2HG   PRO   3          1HG       PRO   3   5.506   3.929 -12.902
   29   1HD   PRO   3          2HD       PRO   3   4.510   1.731 -14.178
   30   2HD   PRO   3          1HD       PRO   3   6.228   1.799 -13.724
   31    H    LYS   4           HN       LYS   4   2.720   2.166  -9.539
   32    HA   LYS   4           HA       LYS   4   0.253   1.952 -10.756
   33   1HB   LYS   4          2HB       LYS   4  -0.499  -0.300  -9.533
   34   2HB   LYS   4          1HB       LYS   4   0.428  -0.551 -10.991
   35   1HG   LYS   4          2HG       LYS   4   2.437  -1.042  -9.767
   36   2HG   LYS   4          1HG       LYS   4   1.695  -0.630  -8.257
   37   1HD   LYS   4          2HD       LYS   4   0.902  -2.658  -7.986
   38   2HD   LYS   4          1HD       LYS   4  -0.058  -2.559  -9.425
   39   1HE   LYS   4          2HE       LYS   4   2.890  -3.148  -9.691
   40   2HE   LYS   4          1HE       LYS   4   1.853  -4.451  -9.159
   41   1HZ   LYS   4          1HZ       LYS   4   1.956  -4.722 -11.373
   42   2HZ   LYS   4          2HZ       LYS   4   1.926  -3.073 -11.758
   43   3HZ   LYS   4          3HZ       LYS   4   0.516  -3.863 -11.290
   44    H    LEU   5           HN       LEU   5  -1.022   3.027  -9.310
   45    HA   LEU   5           HA       LEU   5   0.003   3.640  -6.735
   46   1HB   LEU   5          2HB       LEU   5  -2.879   4.091  -7.168
   47   2HB   LEU   5          1HB       LEU   5  -1.672   5.189  -6.647
   48    HG   LEU   5           HG       LEU   5  -2.088   4.299  -9.571
   49   1HD1  LEU   5          1HD1      LEU   5  -2.595   6.853  -9.747
   50   2HD1  LEU   5          2HD1      LEU   5  -3.121   6.625  -8.054
   51   3HD1  LEU   5          3HD1      LEU   5  -3.886   5.805  -9.359
   52   1HD2  LEU   5          1HD2      LEU   5   0.229   4.882  -9.310
   53   2HD2  LEU   5          2HD2      LEU   5  -0.240   6.382  -8.461
   54   3HD2  LEU   5          3HD2      LEU   5  -0.588   6.167 -10.122
   55    H    LEU   6           HN       LEU   6  -1.430   3.203  -4.673
   56    HA   LEU   6           HA       LEU   6  -2.293   0.312  -4.764
   57   1HB   LEU   6          2HB       LEU   6  -0.658   1.867  -2.907
   58   2HB   LEU   6          1HB       LEU   6  -1.955   1.017  -2.068
   59    HG   LEU   6           HG       LEU   6  -1.445  -1.043  -2.804
   60   1HD1  LEU   6          1HD1      LEU   6   0.318   0.116  -4.793
   61   2HD1  LEU   6          2HD1      LEU   6  -0.659  -1.321  -4.775
   62   3HD1  LEU   6          3HD1      LEU   6   0.877  -1.362  -3.971
   63   1HD2  LEU   6          1HD2      LEU   6  -0.280  -0.577  -0.698
   64   2HD2  LEU   6          2HD2      LEU   6   0.477   0.814  -1.364
   65   3HD2  LEU   6          3HD2      LEU   6   1.013  -0.796  -1.778
   66    H    TYR   7           HN       TYR   7  -4.340   0.707  -5.478
   67    HA   TYR   7           HA       TYR   7  -5.950   2.751  -4.146
   68   1HB   TYR   7          2HB       TYR   7  -6.026   1.727  -6.593
   69   2HB   TYR   7          1HB       TYR   7  -6.707   0.378  -5.837
   70    HD1  TYR   7           HD1      TYR   7  -7.176   4.007  -5.425
   71    HD2  TYR   7           HD2      TYR   7  -9.203   0.342  -6.435
   72    HE1  TYR   7           HE1      TYR   7  -9.219   5.213  -5.831
   73    HE2  TYR   7           HE2      TYR   7 -11.210   1.504  -6.678
   74    HH   TYR   7           HH       TYR   7 -11.534   4.746  -6.935
   75    H    CYS   8           HN       CYS   8  -8.031   2.180  -2.983
   76    HA   CYS   8           HA       CYS   8  -8.004  -0.672  -1.891
   77   1HB   CYS   8          2HB       CYS   8  -7.147   0.818  -0.314
   78   2HB   CYS   8          1HB       CYS   8  -8.569   1.915  -0.461
   79    HG   CYS   8           HG       CYS   8  -8.608  -1.161   0.927
   80    H    SER   9           HN       SER   9  -9.696  -1.508  -1.018
   81    HA   SER   9           HA       SER   9 -12.136  -0.604  -2.334
   82   1HB   SER   9          2HB       SER   9 -11.377  -3.070  -0.715
   83   2HB   SER   9          1HB       SER   9 -13.016  -2.803  -1.386
   84    HG   SER   9           HG       SER   9 -12.022  -3.496  -3.140
   85    H    ASN  10           HN       ASN  10 -10.756   0.651   0.296
   86    HA   ASN  10           HA       ASN  10 -13.383   0.826   1.803
   87   1HB   ASN  10          2HB       ASN  10 -10.514   1.064   2.768
   88   2HB   ASN  10          1HB       ASN  10 -11.665   2.147   3.482
   89   1HD2  ASN  10          1HD2      ASN  10 -10.211  -0.063   4.738
   90   2HD2  ASN  10          2HD2      ASN  10 -11.494  -1.112   5.265
   91    H    GLY  11           HN       GLY  11 -13.725   2.175  -0.587
   92   1HA   GLY  11          2HA       GLY  11 -14.552   4.638  -0.157
   93   2HA   GLY  11          1HA       GLY  11 -12.875   5.017   0.226
   94    H    GLY  12           HN       GLY  12 -11.592   3.223  -1.610
   95   1HA   GLY  12          2HA       GLY  12 -11.089   3.106  -3.747
   96   2HA   GLY  12          1HA       GLY  12 -12.513   4.082  -4.177
   97    H    TYR  13           HN       TYR  13  -9.411   4.399  -2.380
   98    HA   TYR  13           HA       TYR  13  -8.846   6.901  -3.891
   99   1HB   TYR  13          2HB       TYR  13  -8.748   6.396  -0.883
  100   2HB   TYR  13          1HB       TYR  13  -7.616   7.515  -1.640
  101    HD1  TYR  13           HD1      TYR  13  -8.270   9.742  -2.087
  102    HD2  TYR  13           HD2      TYR  13 -11.179   6.773  -1.088
  103    HE1  TYR  13           HE1      TYR  13  -9.951  11.501  -1.821
  104    HE2  TYR  13           HE2      TYR  13 -12.875   8.527  -0.833
  105    HH   TYR  13           HH       TYR  13 -13.303  10.816  -1.548
  106    H    PHE  14           HN       PHE  14  -6.501   7.166  -4.177
  107    HA   PHE  14           HA       PHE  14  -5.208   4.567  -4.391
  108   1HB   PHE  14          2HB       PHE  14  -4.335   7.317  -5.398
  109   2HB   PHE  14          1HB       PHE  14  -3.430   5.943  -5.655
  110    HD1  PHE  14           HD1      PHE  14  -4.855   3.823  -6.380
  111    HD2  PHE  14           HD2      PHE  14  -5.717   7.858  -7.437
  112    HE1  PHE  14           HE1      PHE  14  -6.066   3.037  -8.340
  113    HE2  PHE  14           HE2      PHE  14  -6.998   7.077  -9.357
  114    HZ   PHE  14           HZ       PHE  14  -7.124   4.691  -9.889
  115    H    LEU  15           HN       LEU  15  -3.667   3.798  -3.241
  116    HA   LEU  15           HA       LEU  15  -2.480   5.658  -1.332
  117   1HB   LEU  15          2HB       LEU  15  -2.242   2.868  -1.845
  118   2HB   LEU  15          1HB       LEU  15  -0.790   3.461  -1.148
  119    HG   LEU  15           HG       LEU  15  -3.475   2.987  -0.106
  120   1HD1  LEU  15          1HD1      LEU  15  -2.104   2.124   1.809
  121   2HD1  LEU  15          2HD1      LEU  15  -0.661   2.839   1.108
  122   3HD1  LEU  15          3HD1      LEU  15  -1.391   1.690   0.201
  123   1HD2  LEU  15          1HD2      LEU  15  -1.725   5.198   1.127
  124   2HD2  LEU  15          2HD2      LEU  15  -3.201   4.617   1.835
  125   3HD2  LEU  15          3HD2      LEU  15  -3.207   5.497   0.405
  126    H    ARG  16           HN       ARG  16  -0.989   6.658  -1.353
  127    HA   ARG  16           HA       ARG  16   1.392   5.986  -2.849
  128   1HB   ARG  16          2HB       ARG  16   1.393   8.132  -3.765
  129   2HB   ARG  16          1HB       ARG  16  -0.135   7.332  -4.162
  130   1HG   ARG  16          2HG       ARG  16  -1.155   9.175  -3.486
  131   2HG   ARG  16          1HG       ARG  16  -0.973   8.626  -1.889
  132   1HD   ARG  16          2HD       ARG  16   0.710  10.187  -1.406
  133   2HD   ARG  16          1HD       ARG  16   1.290  10.305  -3.067
  134    HE   ARG  16           HE       ARG  16  -1.508  10.986  -2.519
  135   1HH1  ARG  16          1HH2      ARG  16   1.300  12.409  -3.919
  136   2HH1  ARG  16          2HH2      ARG  16   1.066  13.999  -3.293
  137   1HH2  ARG  16          1HH1      ARG  16  -1.493  12.722  -1.075
  138   2HH2  ARG  16          2HH1      ARG  16  -0.884  14.244  -1.671
  139    H    ILE  17           HN       ILE  17   2.737   8.249  -2.284
  140    HA   ILE  17           HA       ILE  17   2.305   8.946   0.529
  141    HB   ILE  17           HB       ILE  17   4.554   8.473   0.984
  142   1HG1  ILE  17          2HG1      ILE  17   5.457   6.901  -1.123
  143   2HG1  ILE  17          1HG1      ILE  17   4.891   8.196  -1.958
  144   1HG2  ILE  17          1HG2      ILE  17   3.774   5.816  -0.240
  145   2HG2  ILE  17          2HG2      ILE  17   2.921   6.465   1.133
  146   3HG2  ILE  17          3HG2      ILE  17   4.611   6.153   1.257
  147   1HD1  ILE  17          1HD1      ILE  17   7.309   8.692  -1.484
  148   2HD1  ILE  17          2HD1      ILE  17   7.207   8.291   0.099
  149   3HD1  ILE  17          3HD1      ILE  17   6.400   9.757  -0.473
  150    H    PHE  18           HN       PHE  18   2.301  11.146   0.561
  151    HA   PHE  18           HA       PHE  18   3.473  12.516  -1.760
  152   1HB   PHE  18          2HB       PHE  18   1.400  13.222  -0.854
  153   2HB   PHE  18          1HB       PHE  18   2.019  13.734   0.575
  154    HD1  PHE  18           HD1      PHE  18   4.712  15.016  -1.276
  155    HD2  PHE  18           HD2      PHE  18   0.421  15.455  -1.309
  156    HE1  PHE  18           HE1      PHE  18   4.957  17.194  -2.136
  157    HE2  PHE  18           HE2      PHE  18   0.737  17.657  -2.343
  158    HZ   PHE  18           HZ       PHE  18   2.972  18.558  -2.688
  159    HA   PRO  19           HA       PRO  19   6.973  14.350   0.029
  160   1HB   PRO  19          2HB       PRO  19   7.107  15.865   2.360
  161   2HB   PRO  19          1HB       PRO  19   6.306  16.392   0.889
  162   1HG   PRO  19          2HG       PRO  19   5.020  15.461   3.427
  163   2HG   PRO  19          1HG       PRO  19   4.424  16.560   2.189
  164   1HD   PRO  19          2HD       PRO  19   3.730  13.762   2.436
  165   2HD   PRO  19          1HD       PRO  19   3.368  14.981   1.198
  166    H    ASP  20           HN       ASP  20   6.007  13.747   3.316
  167    HA   ASP  20           HA       ASP  20   8.491  12.513   4.123
  168   1HB   ASP  20          2HB       ASP  20   5.817  13.380   5.281
  169   2HB   ASP  20          1HB       ASP  20   6.571  12.093   6.205
  170    H    GLY  21           HN       GLY  21   6.989  11.078   1.976
  171   1HA   GLY  21          2HA       GLY  21   6.220   9.131   1.592
  172   2HA   GLY  21          1HA       GLY  21   7.212   8.510   2.905
  173    H    LYS  22           HN       LYS  22   4.799  10.710   3.833
  174    HA   LYS  22           HA       LYS  22   3.297   8.858   5.387
  175   1HB   LYS  22          2HB       LYS  22   3.074  11.752   4.551
  176   2HB   LYS  22          1HB       LYS  22   1.544  11.078   4.985
  177   1HG   LYS  22          2HG       LYS  22   2.016  10.721   7.149
  178   2HG   LYS  22          1HG       LYS  22   3.702  10.345   6.905
  179   1HD   LYS  22          2HD       LYS  22   4.258  12.670   6.473
  180   2HD   LYS  22          1HD       LYS  22   2.568  13.122   6.540
  181   1HE   LYS  22          2HE       LYS  22   2.706  11.931   8.966
  182   2HE   LYS  22          1HE       LYS  22   4.437  12.239   8.811
  183   1HZ   LYS  22          1HZ       LYS  22   2.736  14.440   8.086
  184   2HZ   LYS  22          2HZ       LYS  22   4.146  14.372   9.057
  185   3HZ   LYS  22          3HZ       LYS  22   2.625  13.891   9.701
  186    H    VAL  23           HN       VAL  23   1.934   7.455   4.764
  187    HA   VAL  23           HA       VAL  23   1.425   7.526   1.929
  188    HB   VAL  23           HB       VAL  23   0.263   5.677   3.969
  189   1HG1  VAL  23          1HG1      VAL  23   1.321   4.223   1.634
  190   2HG1  VAL  23          2HG1      VAL  23   0.201   5.408   1.146
  191   3HG1  VAL  23          3HG1      VAL  23  -0.226   4.196   2.371
  192   1HG2  VAL  23          1HG2      VAL  23   3.076   5.941   3.798
  193   2HG2  VAL  23          2HG2      VAL  23   2.520   4.363   3.380
  194   3HG2  VAL  23          3HG2      VAL  23   1.946   5.054   4.838
  195    H    ASP  24           HN       ASP  24  -0.802   7.475   0.909
  196    HA   ASP  24           HA       ASP  24  -3.028   8.021   2.632
  197   1HB   ASP  24          2HB       ASP  24  -3.281  10.460   1.775
  198   2HB   ASP  24          1HB       ASP  24  -1.922  10.240   2.849
  199    H    GLY  25           HN       GLY  25  -5.025   8.457   1.553
  200   1HA   GLY  25          2HA       GLY  25  -5.132   7.012  -0.966
  201   2HA   GLY  25          1HA       GLY  25  -6.414   7.676   0.083
  202    H    THR  26           HN       THR  26  -4.919   8.220  -2.838
  203    HA   THR  26           HA       THR  26  -6.193  10.876  -2.982
  204    HB   THR  26           HB       THR  26  -3.652  10.681  -2.846
  205    HG1  THR  26           HG1      THR  26  -4.367  11.698  -5.327
  206   1HG2  THR  26          1HG2      THR  26  -3.682   9.394  -5.634
  207   2HG2  THR  26          2HG2      THR  26  -3.137   8.646  -4.118
  208   3HG2  THR  26          3HG2      THR  26  -2.402  10.090  -4.768
  209    H    ARG  27           HN       ARG  27  -8.127  10.332  -4.164
  210    HA   ARG  27           HA       ARG  27  -8.052   8.122  -6.082
  211   1HB   ARG  27          2HB       ARG  27 -10.253   9.109  -6.835
  212   2HB   ARG  27          1HB       ARG  27 -10.179   8.748  -5.130
  213   1HG   ARG  27          2HG       ARG  27  -9.667  11.166  -4.614
  214   2HG   ARG  27          1HG       ARG  27  -9.540  11.499  -6.315
  215   1HD   ARG  27          2HD       ARG  27 -12.043  10.508  -6.346
  216   2HD   ARG  27          1HD       ARG  27 -11.976  11.003  -4.641
  217    HE   ARG  27           HE       ARG  27 -11.030  13.205  -5.587
  218   1HH1  ARG  27          1HH1      ARG  27 -12.249  11.887  -8.267
  219   2HH1  ARG  27          2HH1      ARG  27 -13.825  12.587  -8.387
  220   1HH2  ARG  27          1HH2      ARG  27 -13.416  14.034  -5.110
  221   2HH2  ARG  27          2HH2      ARG  27 -14.507  14.038  -6.438
  222    H    ASP  28           HN       ASP  28  -6.424  11.051  -6.301
  223    HA   ASP  28           HA       ASP  28  -6.960  11.724  -9.035
  224   1HB   ASP  28          2HB       ASP  28  -5.016  12.742  -6.851
  225   2HB   ASP  28          1HB       ASP  28  -5.147  13.458  -8.431
  226    H    ARG  29           HN       ARG  29  -6.372   9.496  -9.715
  227    HA   ARG  29           HA       ARG  29  -3.791   8.490  -9.355
  228   1HB   ARG  29          2HB       ARG  29  -3.959   7.496 -11.711
  229   2HB   ARG  29          1HB       ARG  29  -5.180   6.996 -10.652
  230   1HG   ARG  29          2HG       ARG  29  -6.787   8.609 -11.584
  231   2HG   ARG  29          1HG       ARG  29  -5.509   9.407 -12.469
  232   1HD   ARG  29          2HD       ARG  29  -5.078   7.053 -13.588
  233   2HD   ARG  29          1HD       ARG  29  -6.733   6.722 -13.016
  234    HE   ARG  29           HE       ARG  29  -5.983   9.207 -14.469
  235   1HH1  ARG  29          1HH1      ARG  29  -7.534   6.072 -14.495
  236   2HH1  ARG  29          2HH1      ARG  29  -8.449   6.334 -15.945
  237   1HH2  ARG  29          1HH2      ARG  29  -7.422   9.742 -16.181
  238   2HH2  ARG  29          2HH2      ARG  29  -8.497   8.572 -16.843
  239    H    SER  30           HN       SER  30  -4.688  11.170 -11.156
  240    HA   SER  30           HA       SER  30  -2.722  11.298 -13.185
  241   1HB   SER  30          2HB       SER  30  -4.500  13.347 -11.702
  242   2HB   SER  30          1HB       SER  30  -3.451  13.850 -13.027
  243    HG   SER  30           HG       SER  30  -4.748  13.045 -14.365
  244    H    ASP  31           HN       ASP  31  -2.798  12.073  -9.799
  245    HA   ASP  31           HA       ASP  31  -1.198  14.249  -9.531
  246   1HB   ASP  31          2HB       ASP  31  -2.342  12.290  -7.923
  247   2HB   ASP  31          1HB       ASP  31  -0.639  12.070  -7.711
  248    HA   PRO  32           HA       PRO  32   2.399  12.642 -11.598
  249   1HB   PRO  32          2HB       PRO  32   4.217  14.709 -11.020
  250   2HB   PRO  32          1HB       PRO  32   2.906  14.815 -12.185
  251   1HG   PRO  32          2HG       PRO  32   3.002  15.903  -9.372
  252   2HG   PRO  32          1HG       PRO  32   2.228  16.613 -10.794
  253   1HD   PRO  32          2HD       PRO  32   0.912  15.173  -8.758
  254   2HD   PRO  32          1HD       PRO  32   0.267  15.431 -10.400
  255    H    TYR  33           HN       TYR  33   1.978  12.212  -8.520
  256    HA   TYR  33           HA       TYR  33   4.251  10.739  -8.044
  257   1HB   TYR  33          2HB       TYR  33   4.230  13.670  -7.305
  258   2HB   TYR  33          1HB       TYR  33   4.442  12.744  -5.885
  259    HD1  TYR  33           HD1      TYR  33   6.051  11.148  -8.851
  260    HD2  TYR  33           HD2      TYR  33   6.499  13.940  -5.600
  261    HE1  TYR  33           HE1      TYR  33   8.426  11.127  -9.166
  262    HE2  TYR  33           HE2      TYR  33   8.905  13.829  -5.878
  263    HH   TYR  33           HH       TYR  33  10.344  13.098  -8.541
  264    H    ILE  34           HN       ILE  34   1.686  10.095  -8.113
  265    HA   ILE  34           HA       ILE  34   1.662   9.253  -5.265
  266    HB   ILE  34           HB       ILE  34  -0.793   9.044  -5.473
  267   1HG1  ILE  34          2HG1      ILE  34  -1.813  10.450  -7.318
  268   2HG1  ILE  34          1HG1      ILE  34  -0.361  10.102  -8.254
  269   1HG2  ILE  34          1HG2      ILE  34  -1.094  11.521  -5.162
  270   2HG2  ILE  34          2HG2      ILE  34   0.337  11.859  -6.105
  271   3HG2  ILE  34          3HG2      ILE  34   0.534  11.046  -4.700
  272   1HD1  ILE  34          1HD1      ILE  34  -1.404   7.639  -7.252
  273   2HD1  ILE  34          2HD1      ILE  34  -1.469   8.326  -8.896
  274   3HD1  ILE  34          3HD1      ILE  34  -2.744   8.630  -7.669
  275    H    GLN  35           HN       GLN  35   2.881   8.125  -7.608
  276    HA   GLN  35           HA       GLN  35   1.436   5.536  -7.854
  277   1HB   GLN  35          2HB       GLN  35   4.143   6.395  -8.826
  278   2HB   GLN  35          1HB       GLN  35   3.554   4.800  -9.124
  279   1HG   GLN  35          2HG       GLN  35   2.091   5.428 -10.808
  280   2HG   GLN  35          1HG       GLN  35   1.555   6.876  -9.969
  281   1HE2  GLN  35          1HE2      GLN  35   1.883   7.215 -12.696
  282   2HE2  GLN  35          2HE2      GLN  35   3.372   8.014 -12.998
  283    H    LEU  36           HN       LEU  36   2.511   3.561  -7.655
  284    HA   LEU  36           HA       LEU  36   4.157   3.219  -5.444
  285   1HB   LEU  36          2HB       LEU  36   1.269   3.223  -5.077
  286   2HB   LEU  36          1HB       LEU  36   1.675   1.559  -5.035
  287    HG   LEU  36           HG       LEU  36   1.376   2.881  -2.841
  288   1HD1  LEU  36          1HD1      LEU  36   3.595   0.936  -3.360
  289   2HD1  LEU  36          2HD1      LEU  36   2.170   0.742  -2.454
  290   3HD1  LEU  36          3HD1      LEU  36   3.488   1.656  -1.761
  291   1HD2  LEU  36          1HD2      LEU  36   3.980   3.662  -2.232
  292   2HD2  LEU  36          2HD2      LEU  36   2.669   4.688  -2.406
  293   3HD2  LEU  36          3HD2      LEU  36   3.629   4.340  -3.818
  294    H    GLN  37           HN       GLN  37   3.794   0.475  -5.146
  295    HA   GLN  37           HA       GLN  37   3.652  -0.844  -7.794
  296   1HB   GLN  37          2HB       GLN  37   6.014   0.286  -7.516
  297   2HB   GLN  37          1HB       GLN  37   6.223  -0.891  -6.194
  298   1HG   GLN  37          2HG       GLN  37   6.454  -2.632  -7.379
  299   2HG   GLN  37          1HG       GLN  37   5.695  -1.960  -8.878
  300   1HE2  GLN  37          1HE2      GLN  37   6.968   0.158  -9.595
  301   2HE2  GLN  37          2HE2      GLN  37   8.686  -0.135  -9.642
  302    H    PHE  38           HN       PHE  38   2.953  -2.955  -7.145
  303    HA   PHE  38           HA       PHE  38   3.664  -4.131  -4.484
  304   1HB   PHE  38          2HB       PHE  38   1.312  -4.155  -4.621
  305   2HB   PHE  38          1HB       PHE  38   1.271  -4.001  -6.327
  306    HD1  PHE  38           HD1      PHE  38   2.777  -6.679  -4.095
  307    HD2  PHE  38           HD2      PHE  38   0.194  -5.730  -7.392
  308    HE1  PHE  38           HE1      PHE  38   2.286  -9.013  -4.359
  309    HE2  PHE  38           HE2      PHE  38  -0.184  -8.144  -7.739
  310    HZ   PHE  38           HZ       PHE  38   0.826  -9.792  -6.152
  311    H    TYR  39           HN       TYR  39   5.524  -5.157  -4.663
  312    HA   TYR  39           HA       TYR  39   5.470  -7.319  -6.603
  313   1HB   TYR  39          2HB       TYR  39   7.762  -5.283  -6.105
  314   2HB   TYR  39          1HB       TYR  39   8.042  -6.871  -6.753
  315    HD1  TYR  39           HD1      TYR  39   5.387  -4.272  -7.711
  316    HD2  TYR  39           HD2      TYR  39   8.728  -6.534  -8.978
  317    HE1  TYR  39           HE1      TYR  39   4.732  -3.830  -9.893
  318    HE2  TYR  39           HE2      TYR  39   8.194  -5.854 -11.299
  319    HH   TYR  39           HH       TYR  39   6.571  -3.737 -12.315
  320    H    ALA  40           HN       ALA  40   6.906  -9.052  -5.660
  321    HA   ALA  40           HA       ALA  40   7.119  -8.657  -2.767
  322   1HB   ALA  40          1HB       ALA  40   5.121 -10.222  -3.339
  323   2HB   ALA  40          2HB       ALA  40   6.373 -11.082  -2.455
  324   3HB   ALA  40          3HB       ALA  40   6.249 -11.269  -4.189
  325    H    GLU  41           HN       GLU  41   8.643 -10.302  -1.751
  326    HA   GLU  41           HA       GLU  41  11.000 -10.270  -3.515
  327   1HB   GLU  41          2HB       GLU  41  10.906  -9.008  -1.208
  328   2HB   GLU  41          1HB       GLU  41  11.164 -10.556  -0.475
  329   1HG   GLU  41          2HG       GLU  41  13.353 -10.792  -1.413
  330   2HG   GLU  41          1HG       GLU  41  13.007  -9.728  -2.747
  331    H    SER  42           HN       SER  42   9.958 -12.290  -0.704
  332    HA   SER  42           HA       SER  42   9.692 -14.632  -2.388
  333   1HB   SER  42          2HB       SER  42  12.340 -14.028  -1.616
  334   2HB   SER  42          1HB       SER  42  11.857 -15.025  -0.269
  335    HG   SER  42           HG       SER  42  11.933 -15.581  -2.998
  336    H    VAL  43           HN       VAL  43   8.427 -16.102  -1.161
  337    HA   VAL  43           HA       VAL  43   7.626 -17.124   0.758
  338    HB   VAL  43           HB       VAL  43   8.354 -14.646   2.380
  339   1HG1  VAL  43          1HG1      VAL  43   6.346 -16.601   3.231
  340   2HG1  VAL  43          2HG1      VAL  43   6.717 -14.963   3.755
  341   3HG1  VAL  43          3HG1      VAL  43   7.664 -16.256   4.359
  342   1HG2  VAL  43          1HG2      VAL  43   9.562 -17.341   1.927
  343   2HG2  VAL  43          2HG2      VAL  43   9.597 -16.716   3.571
  344   3HG2  VAL  43          3HG2      VAL  43  10.315 -15.790   2.282
  345    H    GLY  44           HN       GLY  44   6.165 -14.426   2.069
  346   1HA   GLY  44          2HA       GLY  44   3.799 -14.565   0.260
  347   2HA   GLY  44          1HA       GLY  44   3.597 -14.979   1.993
  348    H    GLU  45           HN       GLU  45   6.157 -12.864   1.588
  349    HA   GLU  45           HA       GLU  45   4.584 -10.670   2.433
  350   1HB   GLU  45          2HB       GLU  45   7.352 -10.148   3.028
  351   2HB   GLU  45          1HB       GLU  45   6.140 -10.509   4.204
  352   1HG   GLU  45          2HG       GLU  45   6.527 -12.852   4.199
  353   2HG   GLU  45          1HG       GLU  45   7.542 -12.749   2.732
  354    H    VAL  46           HN       VAL  46   5.729  -8.468   1.712
  355    HA   VAL  46           HA       VAL  46   6.708  -8.917  -0.955
  356    HB   VAL  46           HB       VAL  46   5.054  -8.092  -2.266
  357   1HG1  VAL  46          1HG1      VAL  46   2.663  -8.276  -1.227
  358   2HG1  VAL  46          2HG1      VAL  46   3.602  -9.235  -0.066
  359   3HG1  VAL  46          3HG1      VAL  46   3.632  -9.619  -1.776
  360   1HG2  VAL  46          1HG2      VAL  46   3.939  -6.134  -2.244
  361   2HG2  VAL  46          2HG2      VAL  46   5.003  -5.626  -0.986
  362   3HG2  VAL  46          3HG2      VAL  46   3.445  -6.251  -0.561
  363    H    TYR  47           HN       TYR  47   7.158  -6.861  -2.135
  364    HA   TYR  47           HA       TYR  47   7.613  -4.714  -0.187
  365   1HB   TYR  47          2HB       TYR  47   9.606  -6.218  -1.386
  366   2HB   TYR  47          1HB       TYR  47   9.464  -4.988  -2.610
  367    HD1  TYR  47           HD1      TYR  47  11.782  -5.587  -0.897
  368    HD2  TYR  47           HD2      TYR  47   8.572  -2.835  -0.207
  369    HE1  TYR  47           HE1      TYR  47  13.301  -4.090   0.281
  370    HE2  TYR  47           HE2      TYR  47  10.015  -1.514   1.126
  371    HH   TYR  47           HH       TYR  47  12.858  -1.873   2.058
  372    H    ILE  48           HN       ILE  48   6.353  -3.109  -0.634
  373    HA   ILE  48           HA       ILE  48   5.528  -2.714  -3.358
  374    HB   ILE  48           HB       ILE  48   4.492  -0.493  -1.682
  375   1HG1  ILE  48          2HG1      ILE  48   4.023  -3.327  -0.808
  376   2HG1  ILE  48          1HG1      ILE  48   4.790  -2.028   0.078
  377   1HG2  ILE  48          1HG2      ILE  48   2.960  -0.966  -3.528
  378   2HG2  ILE  48          2HG2      ILE  48   2.239  -2.079  -2.447
  379   3HG2  ILE  48          3HG2      ILE  48   3.354  -2.679  -3.368
  380   1HD1  ILE  48          1HD1      ILE  48   2.420  -0.809  -0.438
  381   2HD1  ILE  48          2HD1      ILE  48   2.271  -1.916   0.855
  382   3HD1  ILE  48          3HD1      ILE  48   1.835  -2.496  -0.620
  383    H    LYS  49           HN       LYS  49   5.350   0.166  -3.719
  384    HA   LYS  49           HA       LYS  49   8.125   1.192  -3.672
  385   1HB   LYS  49          2HB       LYS  49   7.588   0.237  -5.789
  386   2HB   LYS  49          1HB       LYS  49   6.504   1.629  -6.110
  387   1HG   LYS  49          2HG       LYS  49   8.394   2.659  -6.919
  388   2HG   LYS  49          1HG       LYS  49   9.111   2.573  -5.393
  389   1HD   LYS  49          2HD       LYS  49   9.683   0.027  -5.953
  390   2HD   LYS  49          1HD       LYS  49   9.057   0.440  -7.526
  391   1HE   LYS  49          2HE       LYS  49  10.882   1.826  -8.066
  392   2HE   LYS  49          1HE       LYS  49  11.523   1.661  -6.370
  393   1HZ   LYS  49          1HZ       LYS  49  11.241  -0.799  -7.607
  394   2HZ   LYS  49          2HZ       LYS  49  12.495  -0.029  -6.761
  395   3HZ   LYS  49          3HZ       LYS  49  12.376   0.257  -8.427
  396    H    SER  50           HN       SER  50   8.071   3.491  -3.459
  397    HA   SER  50           HA       SER  50   5.411   4.734  -3.227
  398   1HB   SER  50          2HB       SER  50   6.188   5.141  -1.148
  399   2HB   SER  50          1HB       SER  50   7.762   4.660  -1.509
  400    HG   SER  50           HG       SER  50   6.753   7.143  -2.307
  401    H    LEU  51           HN       LEU  51   4.928   5.903  -4.812
  402    HA   LEU  51           HA       LEU  51   5.154   7.347  -6.643
  403   1HB   LEU  51          2HB       LEU  51   7.755   7.901  -5.119
  404   2HB   LEU  51          1HB       LEU  51   7.268   8.816  -6.516
  405    HG   LEU  51           HG       LEU  51   5.199   8.519  -4.330
  406   1HD1  LEU  51          1HD1      LEU  51   7.754   9.349  -3.371
  407   2HD1  LEU  51          2HD1      LEU  51   6.123   9.752  -2.730
  408   3HD1  LEU  51          3HD1      LEU  51   6.922  10.853  -3.701
  409   1HD2  LEU  51          1HD2      LEU  51   5.053   9.838  -6.423
  410   2HD2  LEU  51          2HD2      LEU  51   6.454  10.741  -5.798
  411   3HD2  LEU  51          3HD2      LEU  51   4.923  10.876  -4.939
  412    H    GLU  52           HN       GLU  52   6.555   7.838  -8.683
  413    HA   GLU  52           HA       GLU  52   7.571   5.335  -9.685
  414   1HB   GLU  52          2HB       GLU  52   8.139   6.599 -11.656
  415   2HB   GLU  52          1HB       GLU  52   6.521   6.975 -11.169
  416   1HG   GLU  52          2HG       GLU  52   7.142   9.176 -10.310
  417   2HG   GLU  52          1HG       GLU  52   8.846   8.772 -10.321
  418    H    THR  53           HN       THR  53   8.842   7.745  -7.683
  419    HA   THR  53           HA       THR  53  11.496   8.021  -8.541
  420    HB   THR  53           HB       THR  53  11.856   8.883  -6.209
  421    HG1  THR  53           HG1      THR  53   9.286   7.889  -5.612
  422   1HG2  THR  53          1HG2      THR  53   9.088   9.830  -6.336
  423   2HG2  THR  53          2HG2      THR  53   9.891   9.920  -7.914
  424   3HG2  THR  53          3HG2      THR  53  10.586  10.691  -6.478
  425    H    GLY  54           HN       GLY  54  10.299   5.209  -7.877
  426   1HA   GLY  54          2HA       GLY  54  10.715   3.466  -6.974
  427   2HA   GLY  54          1HA       GLY  54  12.472   3.737  -7.364
  428    H    GLN  55           HN       GLN  55   9.963   4.800  -5.044
  429    HA   GLN  55           HA       GLN  55  11.819   4.298  -2.788
  430   1HB   GLN  55          2HB       GLN  55   9.017   5.193  -2.990
  431   2HB   GLN  55          1HB       GLN  55   9.839   5.232  -1.466
  432   1HG   GLN  55          2HG       GLN  55  11.179   6.892  -3.523
  433   2HG   GLN  55          1HG       GLN  55   9.456   7.277  -3.375
  434   1HE2  GLN  55          1HE2      GLN  55   9.611   9.264  -2.378
  435   2HE2  GLN  55          2HE2      GLN  55  10.185   9.372  -0.725
  436    H    TYR  56           HN       TYR  56   9.431   3.537  -1.176
  437    HA   TYR  56           HA       TYR  56   8.772   0.817  -2.019
  438   1HB   TYR  56          2HB       TYR  56  10.695   1.183   0.188
  439   2HB   TYR  56          1HB       TYR  56   9.845  -0.246  -0.395
  440    HD1  TYR  56           HD1      TYR  56  10.758  -1.439  -2.290
  441    HD2  TYR  56           HD2      TYR  56  12.377   2.342  -1.096
  442    HE1  TYR  56           HE1      TYR  56  12.518  -1.654  -3.957
  443    HE2  TYR  56           HE2      TYR  56  14.060   2.201  -2.843
  444    HH   TYR  56           HH       TYR  56  14.868  -0.619  -4.304
  445    H    LEU  57           HN       LEU  57   7.739  -0.110   0.599
  446    HA   LEU  57           HA       LEU  57   6.461   2.176   1.851
  447   1HB   LEU  57          2HB       LEU  57   4.943   1.456   0.036
  448   2HB   LEU  57          1HB       LEU  57   4.975  -0.124   0.705
  449    HG   LEU  57           HG       LEU  57   4.047   0.914   2.854
  450   1HD1  LEU  57          1HD1      LEU  57   3.991   3.019   3.243
  451   2HD1  LEU  57          2HD1      LEU  57   3.109   3.374   1.740
  452   3HD1  LEU  57          3HD1      LEU  57   4.797   3.324   1.706
  453   1HD2  LEU  57          1HD2      LEU  57   2.102   0.067   1.769
  454   2HD2  LEU  57          2HD2      LEU  57   2.388   1.065   0.325
  455   3HD2  LEU  57          3HD2      LEU  57   1.709   1.734   1.794
  456    H    ALA  58           HN       ALA  58   6.446   1.796   4.205
  457    HA   ALA  58           HA       ALA  58   6.864  -0.947   5.150
  458   1HB   ALA  58          1HB       ALA  58   8.594   0.568   6.834
  459   2HB   ALA  58          2HB       ALA  58   9.127   0.933   5.195
  460   3HB   ALA  58          3HB       ALA  58   9.029  -0.704   5.853
  461    H    MET  59           HN       MET  59   6.296  -1.129   7.358
  462    HA   MET  59           HA       MET  59   4.524   0.993   8.353
  463   1HB   MET  59          2HB       MET  59   4.032  -1.113   8.681
  464   2HB   MET  59          1HB       MET  59   5.468  -1.707   9.412
  465   1HG   MET  59          2HG       MET  59   4.852  -0.182  11.460
  466   2HG   MET  59          1HG       MET  59   3.294   0.039  10.704
  467   1HE   MET  59          1HE       MET  59   4.894  -3.626  12.730
  468   2HE   MET  59          2HE       MET  59   4.516  -2.118  13.588
  469   3HE   MET  59          3HE       MET  59   5.782  -2.151  12.328
  470    H    ASP  60           HN       ASP  60   5.155   2.578   9.390
  471    HA   ASP  60           HA       ASP  60   7.737   3.283  10.195
  472   1HB   ASP  60          2HB       ASP  60   5.227   4.550  10.276
  473   2HB   ASP  60          1HB       ASP  60   5.363   4.127  11.961
  474    H    SER  61           HN       SER  61   8.758   3.156  12.359
  475    HA   SER  61           HA       SER  61   8.358   0.456  13.336
  476   1HB   SER  61          2HB       SER  61  10.361   1.242  14.840
  477   2HB   SER  61          1HB       SER  61  10.641   1.297  13.098
  478    HG   SER  61           HG       SER  61  10.104   3.350  14.880
  479    H    ASP  62           HN       ASP  62   6.220   0.866  14.052
  480    HA   ASP  62           HA       ASP  62   5.707   1.192  16.756
  481   1HB   ASP  62          2HB       ASP  62   6.213   3.732  15.889
  482   2HB   ASP  62          1HB       ASP  62   4.608   3.644  15.240
  483    H    GLY  63           HN       GLY  63   4.504   1.814  13.448
  484   1HA   GLY  63          2HA       GLY  63   2.561  -0.087  13.346
  485   2HA   GLY  63          1HA       GLY  63   1.833   1.129  14.440
  486    H    GLN  64           HN       GLN  64   3.206   3.197  12.839
  487    HA   GLN  64           HA       GLN  64   0.930   3.786  11.111
  488   1HB   GLN  64          2HB       GLN  64   3.313   5.238  12.056
  489   2HB   GLN  64          1HB       GLN  64   3.164   5.509  10.357
  490   1HG   GLN  64          2HG       GLN  64   0.753   6.166  10.639
  491   2HG   GLN  64          1HG       GLN  64   0.922   5.943  12.381
  492   1HE2  GLN  64          1HE2      GLN  64   2.047   7.467  13.621
  493   2HE2  GLN  64          2HE2      GLN  64   2.616   8.919  12.971
  494    H    LEU  65           HN       LEU  65   1.871   4.762   8.716
  495    HA   LEU  65           HA       LEU  65   3.388   2.554   7.520
  496   1HB   LEU  65          2HB       LEU  65   1.045   1.915   7.259
  497   2HB   LEU  65          1HB       LEU  65   0.597   3.537   6.799
  498    HG   LEU  65           HG       LEU  65   2.301   3.041   4.828
  499   1HD1  LEU  65          1HD1      LEU  65   3.179   0.997   5.493
  500   2HD1  LEU  65          2HD1      LEU  65   2.351   0.909   3.963
  501   3HD1  LEU  65          3HD1      LEU  65   1.607   0.179   5.358
  502   1HD2  LEU  65          1HD2      LEU  65   0.267   2.132   3.494
  503   2HD2  LEU  65          2HD2      LEU  65  -0.003   3.611   4.386
  504   3HD2  LEU  65          3HD2      LEU  65  -0.620   2.117   5.034
  505    H    TYR  66           HN       TYR  66   5.010   3.453   6.376
  506    HA   TYR  66           HA       TYR  66   4.881   6.230   5.541
  507   1HB   TYR  66          2HB       TYR  66   6.775   6.964   6.583
  508   2HB   TYR  66          1HB       TYR  66   6.365   5.785   7.791
  509    HD1  TYR  66           HD1      TYR  66   7.466   3.370   7.415
  510    HD2  TYR  66           HD2      TYR  66   8.921   6.995   5.683
  511    HE1  TYR  66           HE1      TYR  66   9.605   2.286   6.873
  512    HE2  TYR  66           HE2      TYR  66  11.035   5.890   5.135
  513    HH   TYR  66           HH       TYR  66  11.653   2.481   5.920
  514    H    ALA  67           HN       ALA  67   6.913   6.459   3.956
  515    HA   ALA  67           HA       ALA  67   6.338   4.485   1.821
  516   1HB   ALA  67          1HB       ALA  67   6.658   6.943   1.418
  517   2HB   ALA  67          2HB       ALA  67   7.719   5.929   0.427
  518   3HB   ALA  67          3HB       ALA  67   8.377   6.760   1.815
  519    H    SER  68           HN       SER  68   7.972   2.945   1.327
  520    HA   SER  68           HA       SER  68   9.980   2.724   3.574
  521   1HB   SER  68          2HB       SER  68   9.406   0.419   3.284
  522   2HB   SER  68          1HB       SER  68   9.367   0.542   1.597
  523    HG   SER  68           HG       SER  68  11.482  -0.102   2.932
  524    H    GLN  69           HN       GLN  69  12.109   3.175   3.230
  525    HA   GLN  69           HA       GLN  69  12.904   3.905   0.463
  526   1HB   GLN  69          2HB       GLN  69  13.243   5.111   3.138
  527   2HB   GLN  69          1HB       GLN  69  14.798   4.873   2.425
  528   1HG   GLN  69          2HG       GLN  69  12.911   5.992   0.435
  529   2HG   GLN  69          1HG       GLN  69  12.853   6.926   1.893
  530   1HE2  GLN  69          1HE2      GLN  69  13.819   8.661   1.203
  531   2HE2  GLN  69          2HE2      GLN  69  15.529   8.815   0.873
  532    H    SER  70           HN       SER  70  13.794   2.168   3.365
  533    HA   SER  70           HA       SER  70  16.205   1.111   1.978
  534   1HB   SER  70          2HB       SER  70  15.762   1.969   4.705
  535   2HB   SER  70          1HB       SER  70  15.936   0.239   4.805
  536    HG   SER  70           HG       SER  70  17.892   1.051   4.931
  537    HA   PRO  71           HA       PRO  71  14.196  -2.959   1.866
  538   1HB   PRO  71          2HB       PRO  71  16.296  -4.629   1.748
  539   2HB   PRO  71          1HB       PRO  71  15.920  -3.515   0.471
  540   1HG   PRO  71          2HG       PRO  71  18.040  -3.182   2.575
  541   2HG   PRO  71          1HG       PRO  71  18.149  -2.807   0.853
  542   1HD   PRO  71          2HD       PRO  71  17.549  -0.968   2.943
  543   2HD   PRO  71          1HD       PRO  71  17.222  -0.649   1.222
  544    H    SER  72           HN       SER  72  16.267  -4.729   3.556
  545    HA   SER  72           HA       SER  72  16.034  -5.690   5.579
  546   1HB   SER  72          2HB       SER  72  16.795  -4.172   7.124
  547   2HB   SER  72          1HB       SER  72  16.211  -2.837   6.176
  548    HG   SER  72           HG       SER  72  15.171  -3.916   8.412
  549    H    GLU  73           HN       GLU  73  14.580  -6.885   6.581
  550    HA   GLU  73           HA       GLU  73  12.252  -7.363   5.861
  551   1HB   GLU  73          2HB       GLU  73  11.627  -8.023   8.322
  552   2HB   GLU  73          1HB       GLU  73  12.937  -8.809   7.476
  553   1HG   GLU  73          2HG       GLU  73  14.545  -7.240   8.721
  554   2HG   GLU  73          1HG       GLU  73  13.151  -6.446   9.452
  555    H    GLU  74           HN       GLU  74  12.604  -4.846   8.327
  556    HA   GLU  74           HA       GLU  74  10.028  -4.249   8.948
  557   1HB   GLU  74          2HB       GLU  74  12.391  -2.402   8.314
  558   2HB   GLU  74          1HB       GLU  74  10.942  -1.819   9.090
  559   1HG   GLU  74          2HG       GLU  74  11.344  -3.825  10.807
  560   2HG   GLU  74          1HG       GLU  74  12.966  -3.862  10.159
  561    H    CYS  75           HN       CYS  75  11.757  -3.235   6.064
  562    HA   CYS  75           HA       CYS  75   9.378  -2.255   4.726
  563   1HB   CYS  75          2HB       CYS  75  12.250  -2.696   3.810
  564   2HB   CYS  75          1HB       CYS  75  11.045  -1.659   3.109
  565    HG   CYS  75           HG       CYS  75  12.209   0.412   4.391
  566    H    LEU  76           HN       LEU  76   8.995  -4.748   5.294
  567    HA   LEU  76           HA       LEU  76   8.905  -5.886   2.477
  568   1HB   LEU  76          2HB       LEU  76   8.775  -7.207   5.188
  569   2HB   LEU  76          1HB       LEU  76   8.412  -8.113   3.718
  570    HG   LEU  76           HG       LEU  76  10.973  -6.724   4.541
  571   1HD1  LEU  76          1HD1      LEU  76  10.235  -9.657   4.285
  572   2HD1  LEU  76          2HD1      LEU  76  10.285  -8.764   5.797
  573   3HD1  LEU  76          3HD1      LEU  76  11.772  -9.121   4.906
  574   1HD2  LEU  76          1HD2      LEU  76  11.904  -8.118   2.531
  575   2HD2  LEU  76          2HD2      LEU  76  11.178  -6.531   2.288
  576   3HD2  LEU  76          3HD2      LEU  76  10.239  -7.976   1.943
  577    H    PHE  77           HN       PHE  77   6.693  -7.484   3.219
  578    HA   PHE  77           HA       PHE  77   4.473  -6.317   4.435
  579   1HB   PHE  77          2HB       PHE  77   4.836  -5.588   1.483
  580   2HB   PHE  77          1HB       PHE  77   3.230  -5.695   2.121
  581    HD1  PHE  77           HD1      PHE  77   5.086  -4.532   4.882
  582    HD2  PHE  77           HD2      PHE  77   3.621  -3.492   1.225
  583    HE1  PHE  77           HE1      PHE  77   5.188  -2.337   5.713
  584    HE2  PHE  77           HE2      PHE  77   3.732  -1.043   1.950
  585    HZ   PHE  77           HZ       PHE  77   4.458  -0.481   4.261
  586    H    LEU  78           HN       LEU  78   2.270  -7.207   2.736
  587    HA   LEU  78           HA       LEU  78   2.868 -10.121   3.057
  588   1HB   LEU  78          2HB       LEU  78   0.879 -10.624   3.941
  589   2HB   LEU  78          1HB       LEU  78   1.140  -9.118   4.707
  590    HG   LEU  78           HG       LEU  78  -0.362  -8.744   2.089
  591   1HD1  LEU  78          1HD1      LEU  78  -1.951 -10.001   2.059
  592   2HD1  LEU  78          2HD1      LEU  78  -2.170 -10.270   3.762
  593   3HD1  LEU  78          3HD1      LEU  78  -0.940 -11.114   2.862
  594   1HD2  LEU  78          1HD2      LEU  78   0.255  -7.149   3.283
  595   2HD2  LEU  78          2HD2      LEU  78  -0.448  -7.684   4.768
  596   3HD2  LEU  78          3HD2      LEU  78  -1.496  -7.224   3.408
  597    H    GLU  79           HN       GLU  79   1.396 -11.424   1.629
  598    HA   GLU  79           HA       GLU  79   0.425  -9.963  -0.728
  599   1HB   GLU  79          2HB       GLU  79   2.783 -11.242  -0.791
  600   2HB   GLU  79          1HB       GLU  79   1.845 -12.671  -0.859
  601   1HG   GLU  79          2HG       GLU  79   0.514 -11.549  -2.809
  602   2HG   GLU  79          1HG       GLU  79   1.688 -10.261  -2.747
  603    H    ARG  80           HN       ARG  80  -1.722 -10.182  -0.446
  604    HA   ARG  80           HA       ARG  80  -2.667 -12.932  -0.711
  605   1HB   ARG  80          2HB       ARG  80  -3.603 -11.215   1.664
  606   2HB   ARG  80          1HB       ARG  80  -4.663 -12.284   0.869
  607   1HG   ARG  80          2HG       ARG  80  -2.356 -13.824   1.468
  608   2HG   ARG  80          1HG       ARG  80  -2.371 -12.625   2.736
  609   1HD   ARG  80          2HD       ARG  80  -3.877 -14.070   3.744
  610   2HD   ARG  80          1HD       ARG  80  -5.028 -13.178   2.785
  611    HE   ARG  80           HE       ARG  80  -5.110 -14.802   1.134
  612   1HH1  ARG  80          1HH2      ARG  80  -2.414 -15.622   3.087
  613   2HH1  ARG  80          2HH2      ARG  80  -2.839 -17.226   3.496
  614   1HH2  ARG  80          1HH1      ARG  80  -5.980 -16.900   1.767
  615   2HH2  ARG  80          2HH1      ARG  80  -5.051 -18.007   2.700
  616    H    LEU  81           HN       LEU  81  -3.574 -12.821  -2.601
  617    HA   LEU  81           HA       LEU  81  -5.386 -10.556  -3.154
  618   1HB   LEU  81          2HB       LEU  81  -3.381 -10.924  -4.738
  619   2HB   LEU  81          1HB       LEU  81  -3.909 -12.536  -4.936
  620    HG   LEU  81           HG       LEU  81  -4.835 -10.146  -6.399
  621   1HD1  LEU  81          1HD1      LEU  81  -3.826 -12.419  -7.103
  622   2HD1  LEU  81          2HD1      LEU  81  -4.938 -11.535  -8.096
  623   3HD1  LEU  81          3HD1      LEU  81  -5.498 -12.901  -7.068
  624   1HD2  LEU  81          1HD2      LEU  81  -6.846 -10.522  -4.717
  625   2HD2  LEU  81          2HD2      LEU  81  -7.184 -11.876  -5.788
  626   3HD2  LEU  81          3HD2      LEU  81  -7.145 -10.207  -6.316
  627    H    GLU  82           HN       GLU  82  -7.379 -11.245  -2.911
  628    HA   GLU  82           HA       GLU  82  -8.483 -13.632  -2.272
  629   1HB   GLU  82          2HB       GLU  82 -10.551 -12.675  -3.204
  630   2HB   GLU  82          1HB       GLU  82  -9.684 -11.501  -2.263
  631   1HG   GLU  82          2HG       GLU  82  -9.189 -10.090  -4.084
  632   2HG   GLU  82          1HG       GLU  82  -9.199 -11.359  -5.254
  633    H    GLU  83           HN       GLU  83  -9.996 -13.041  -5.209
  634    HA   GLU  83           HA       GLU  83  -9.038 -15.522  -6.429
  635   1HB   GLU  83          2HB       GLU  83 -11.084 -13.395  -7.253
  636   2HB   GLU  83          1HB       GLU  83 -10.690 -14.759  -8.256
  637   1HG   GLU  83          2HG       GLU  83 -11.248 -15.776  -5.569
  638   2HG   GLU  83          1HG       GLU  83 -12.501 -14.630  -5.972
  639    H    ASN  84           HN       ASN  84  -9.532 -12.353  -7.958
  640    HA   ASN  84           HA       ASN  84  -6.759 -12.042  -8.589
  641   1HB   ASN  84          2HB       ASN  84  -6.823 -13.713 -10.228
  642   2HB   ASN  84          1HB       ASN  84  -8.482 -13.351 -10.666
  643   1HD2  ASN  84          1HD2      ASN  84  -8.004 -13.327 -12.820
  644   2HD2  ASN  84          2HD2      ASN  84  -7.430 -11.886 -13.575
  645    H    ASN  85           HN       ASN  85  -6.854 -10.000  -7.972
  646    HA   ASN  85           HA       ASN  85  -7.673  -8.109  -9.814
  647   1HB   ASN  85          2HB       ASN  85 -10.056  -9.002  -9.070
  648   2HB   ASN  85          1HB       ASN  85  -9.764  -8.345  -7.587
  649   1HD2  ASN  85          1HD2      ASN  85 -11.910  -7.614  -8.643
  650   2HD2  ASN  85          2HD2      ASN  85 -11.870  -6.130  -9.542
  651    H    TYR  86           HN       TYR  86  -7.610  -8.422  -6.176
  652    HA   TYR  86           HA       TYR  86  -5.772  -6.154  -6.006
  653   1HB   TYR  86          2HB       TYR  86  -7.300  -5.232  -4.017
  654   2HB   TYR  86          1HB       TYR  86  -7.725  -4.749  -5.621
  655    HD1  TYR  86           HD1      TYR  86  -9.381  -6.604  -6.712
  656    HD2  TYR  86           HD2      TYR  86  -9.036  -5.447  -2.743
  657    HE1  TYR  86           HE1      TYR  86 -11.519  -7.822  -6.236
  658    HE2  TYR  86           HE2      TYR  86 -11.273  -6.464  -2.209
  659    HH   TYR  86           HH       TYR  86 -12.595  -8.689  -3.647
  660    H    ASN  87           HN       ASN  87  -4.687  -5.909  -3.869
  661    HA   ASN  87           HA       ASN  87  -4.820  -8.537  -2.531
  662   1HB   ASN  87          2HB       ASN  87  -2.189  -7.106  -3.171
  663   2HB   ASN  87          1HB       ASN  87  -2.387  -8.765  -2.673
  664   1HD2  ASN  87          1HD2      ASN  87  -1.014  -7.804  -5.124
  665   2HD2  ASN  87          2HD2      ASN  87  -1.957  -8.694  -6.304
  666    H    THR  88           HN       THR  88  -4.533  -8.384  -0.555
  667    HA   THR  88           HA       THR  88  -4.856  -6.384   1.083
  668    HB   THR  88           HB       THR  88  -3.038  -8.047   2.460
  669    HG1  THR  88           HG1      THR  88  -4.555  -9.368   0.590
  670   1HG2  THR  88          1HG2      THR  88  -5.993  -7.793   2.416
  671   2HG2  THR  88          2HG2      THR  88  -4.948  -8.431   3.707
  672   3HG2  THR  88          3HG2      THR  88  -5.533  -9.477   2.479
  673    H    TYR  89           HN       TYR  89  -1.353  -7.223   1.427
  674    HA   TYR  89           HA       TYR  89   0.507  -6.037   1.188
  675   1HB   TYR  89          2HB       TYR  89  -1.214  -3.616   0.718
  676   2HB   TYR  89          1HB       TYR  89   0.489  -3.409   0.745
  677    HD1  TYR  89           HD1      TYR  89   1.355  -5.694  -0.859
  678    HD2  TYR  89           HD2      TYR  89  -2.137  -3.343  -1.133
  679    HE1  TYR  89           HE1      TYR  89   0.933  -6.527  -2.962
  680    HE2  TYR  89           HE2      TYR  89  -2.345  -3.783  -3.554
  681    HH   TYR  89           HH       TYR  89  -1.407  -4.859  -5.205
  682    H    LYS  90           HN       LYS  90   1.672  -4.222   2.231
  683    HA   LYS  90           HA       LYS  90   2.429  -3.295   4.114
  684   1HB   LYS  90          2HB       LYS  90   0.849  -1.920   4.748
  685   2HB   LYS  90          1HB       LYS  90  -0.141  -3.419   5.035
  686   1HG   LYS  90          2HG       LYS  90   0.727  -3.843   6.937
  687   2HG   LYS  90          1HG       LYS  90   2.155  -2.944   6.565
  688   1HD   LYS  90          2HD       LYS  90   0.260  -0.881   6.753
  689   2HD   LYS  90          1HD       LYS  90  -0.231  -1.937   8.062
  690   1HE   LYS  90          2HE       LYS  90   2.447  -0.874   7.484
  691   2HE   LYS  90          1HE       LYS  90   1.570  -0.602   8.981
  692   1HZ   LYS  90          1HZ       LYS  90   2.404  -2.655   9.792
  693   2HZ   LYS  90          2HZ       LYS  90   3.447  -2.534   8.497
  694   3HZ   LYS  90          3HZ       LYS  90   2.064  -3.428   8.360
  695    H    SER  91           HN       SER  91   3.461  -4.351   5.880
  696    HA   SER  91           HA       SER  91   2.800  -5.988   7.711
  697   1HB   SER  91          2HB       SER  91   2.499  -7.588   5.274
  698   2HB   SER  91          1HB       SER  91   3.725  -8.332   6.181
  699    HG   SER  91           HG       SER  91   2.345  -8.738   7.702
  700    H    LYS  92           HN       LYS  92   5.239  -7.871   6.804
  701    HA   LYS  92           HA       LYS  92   7.308  -6.289   6.339
  702   1HB   LYS  92          2HB       LYS  92   7.757  -6.929   9.221
  703   2HB   LYS  92          1HB       LYS  92   8.355  -5.642   8.278
  704   1HG   LYS  92          2HG       LYS  92   6.558  -4.200   8.634
  705   2HG   LYS  92          1HG       LYS  92   5.439  -5.491   9.095
  706   1HD   LYS  92          2HD       LYS  92   6.669  -3.842  10.831
  707   2HD   LYS  92          1HD       LYS  92   5.537  -5.131  11.083
  708   1HE   LYS  92          2HE       LYS  92   7.336  -6.808  11.252
  709   2HE   LYS  92          1HE       LYS  92   8.548  -5.553  10.935
  710   1HZ   LYS  92          1HZ       LYS  92   7.814  -4.421  12.887
  711   2HZ   LYS  92          2HZ       LYS  92   8.295  -5.987  13.265
  712   3HZ   LYS  92          3HZ       LYS  92   6.658  -5.589  13.212
  713    H    VAL  93           HN       VAL  93   7.114  -8.570   8.926
  714    HA   VAL  93           HA       VAL  93   7.958 -10.821   7.140
  715    HB   VAL  93           HB       VAL  93   9.220  -9.840   9.693
  716   1HG1  VAL  93          1HG1      VAL  93   8.599 -12.698   9.517
  717   2HG1  VAL  93          2HG1      VAL  93   9.383 -11.760  10.803
  718   3HG1  VAL  93          3HG1      VAL  93  10.318 -12.424   9.489
  719   1HG2  VAL  93          1HG2      VAL  93  10.239 -11.022   7.092
  720   2HG2  VAL  93          2HG2      VAL  93  11.307 -10.677   8.446
  721   3HG2  VAL  93          3HG2      VAL  93  10.359  -9.393   7.692
  722    H    HIS  94           HN       HIS  94   7.050 -10.400  10.462
  723    HA   HIS  94           HA       HIS  94   5.513 -12.798  10.398
  724   1HB   HIS  94          2HB       HIS  94   5.783 -10.497  12.346
  725   2HB   HIS  94          1HB       HIS  94   4.368 -11.516  12.538
  726    HD1  HIS  94           HD1      HIS  94   7.963 -12.551  11.622
  727    HD2  HIS  94           HD2      HIS  94   4.914 -13.318  14.412
  728    HE1  HIS  94           HE1      HIS  94   8.762 -14.447  13.105
  729    H    ALA  95           HN       ALA  95   3.293 -12.916  10.917
  730    HA   ALA  95           HA       ALA  95   1.870 -11.516   8.702
  731   1HB   ALA  95          1HB       ALA  95   1.613 -14.189   9.495
  732   2HB   ALA  95          2HB       ALA  95   0.449 -13.289   8.528
  733   3HB   ALA  95          3HB       ALA  95   0.201 -13.467  10.254
  734    H    ASP  96           HN       ASP  96   1.507 -12.407  12.086
  735    HA   ASP  96           HA       ASP  96  -0.043 -11.793  13.629
  736   1HB   ASP  96          2HB       ASP  96   1.521 -10.438  14.649
  737   2HB   ASP  96          1HB       ASP  96   1.940  -9.650  13.155
  738    H    LYS  97           HN       LYS  97  -0.190  -8.800  12.068
  739    HA   LYS  97           HA       LYS  97  -1.444  -8.616  10.202
  740   1HB   LYS  97          2HB       LYS  97  -4.050  -8.682  10.316
  741   2HB   LYS  97          1HB       LYS  97  -3.264 -10.207  10.519
  742   1HG   LYS  97          2HG       LYS  97  -4.367 -10.416  12.494
  743   2HG   LYS  97          1HG       LYS  97  -3.216  -9.331  13.177
  744   1HD   LYS  97          2HD       LYS  97  -5.332  -7.736  11.985
  745   2HD   LYS  97          1HD       LYS  97  -5.862  -9.087  13.058
  746   1HE   LYS  97          2HE       LYS  97  -3.885  -7.208  14.071
  747   2HE   LYS  97          1HE       LYS  97  -5.591  -6.902  14.296
  748   1HZ   LYS  97          1HZ       LYS  97  -4.050  -9.287  15.113
  749   2HZ   LYS  97          2HZ       LYS  97  -5.683  -8.917  15.512
  750   3HZ   LYS  97          3HZ       LYS  97  -4.382  -7.969  16.055
  751    H    ASP  98           HN       ASP  98  -1.217  -7.537  13.274
  752    HA   ASP  98           HA       ASP  98  -3.167  -5.481  13.576
  753   1HB   ASP  98          2HB       ASP  98  -0.847  -6.551  15.229
  754   2HB   ASP  98          1HB       ASP  98  -1.140  -4.883  15.451
  755    H    TRP  99           HN       TRP  99  -0.778  -5.535  11.472
  756    HA   TRP  99           HA       TRP  99  -0.976  -2.637  11.185
  757   1HB   TRP  99          2HB       TRP  99   1.662  -4.245  11.166
  758   2HB   TRP  99          1HB       TRP  99   1.332  -2.486  11.004
  759    HD1  TRP  99           HD1      TRP  99   2.210  -5.104  13.603
  760    HE1  TRP  99           HE1      TRP  99   2.064  -4.085  15.931
  761    HE3  TRP  99           HE3      TRP  99  -0.177  -0.847  12.380
  762    HZ2  TRP  99           HZ2      TRP  99   0.995  -1.657  17.108
  763    HZ3  TRP  99           HZ3      TRP  99  -0.819   0.816  14.125
  764    HH2  TRP  99           HH2      TRP  99  -0.211   0.403  16.472
  765    H    PHE 100           HN       PHE 100  -2.394  -3.899   9.681
  766    HA   PHE 100           HA       PHE 100  -0.874  -4.858   7.263
  767   1HB   PHE 100          2HB       PHE 100  -3.241  -5.580   8.642
  768   2HB   PHE 100          1HB       PHE 100  -3.570  -5.021   7.058
  769    HD1  PHE 100           HD1      PHE 100  -2.888  -6.224   5.042
  770    HD2  PHE 100           HD2      PHE 100  -1.895  -7.365   8.910
  771    HE1  PHE 100           HE1      PHE 100  -2.979  -8.555   4.366
  772    HE2  PHE 100           HE2      PHE 100  -1.715  -9.832   8.200
  773    HZ   PHE 100           HZ       PHE 100  -2.305 -10.365   5.877
  774    H    VAL 101           HN       VAL 101  -2.075  -3.857   5.015
  775    HA   VAL 101           HA       VAL 101  -1.631  -1.034   5.622
  776    HB   VAL 101           HB       VAL 101  -0.700  -2.504   3.484
  777   1HG1  VAL 101          1HG1      VAL 101  -3.212  -1.951   2.334
  778   2HG1  VAL 101          2HG1      VAL 101  -2.296  -3.374   2.498
  779   3HG1  VAL 101          3HG1      VAL 101  -1.595  -2.036   1.575
  780   1HG2  VAL 101          1HG2      VAL 101  -0.276   0.071   4.152
  781   2HG2  VAL 101          2HG2      VAL 101  -0.678   0.112   2.453
  782   3HG2  VAL 101          3HG2      VAL 101   0.577  -0.910   3.001
  783    H    GLY 102           HN       GLY 102  -3.234   0.571   5.261
  784   1HA   GLY 102          2HA       GLY 102  -5.153  -0.419   3.366
  785   2HA   GLY 102          1HA       GLY 102  -5.964  -0.112   4.961
  786    H    ILE 103           HN       ILE 103  -6.615   1.065   2.530
  787    HA   ILE 103           HA       ILE 103  -5.895   3.665   3.512
  788    HB   ILE 103           HB       ILE 103  -4.541   3.177   1.547
  789   1HG1  ILE 103          2HG1      ILE 103  -5.252   5.681   1.702
  790   2HG1  ILE 103          1HG1      ILE 103  -5.023   5.088   0.077
  791   1HG2  ILE 103          1HG2      ILE 103  -6.007   3.403  -0.813
  792   2HG2  ILE 103          2HG2      ILE 103  -7.035   2.657   0.353
  793   3HG2  ILE 103          3HG2      ILE 103  -5.458   1.945  -0.151
  794   1HD1  ILE 103          1HD1      ILE 103  -6.864   5.660  -0.613
  795   2HD1  ILE 103          2HD1      ILE 103  -7.428   6.220   0.980
  796   3HD1  ILE 103          3HD1      ILE 103  -7.755   4.597   0.383
  797    H    LYS 104           HN       LYS 104  -7.213   5.309   2.934
  798    HA   LYS 104           HA       LYS 104  -9.475   5.178   1.614
  799   1HB   LYS 104          2HB       LYS 104 -10.386   3.464   2.709
  800   2HB   LYS 104          1HB       LYS 104  -9.794   3.787   4.300
  801   1HG   LYS 104          2HG       LYS 104 -12.035   5.436   3.077
  802   2HG   LYS 104          1HG       LYS 104 -12.395   3.943   3.911
  803   1HD   LYS 104          2HD       LYS 104 -11.500   4.526   5.917
  804   2HD   LYS 104          1HD       LYS 104 -10.746   5.877   5.160
  805   1HE   LYS 104          2HE       LYS 104 -12.827   7.078   5.753
  806   2HE   LYS 104          1HE       LYS 104 -13.543   6.173   4.447
  807   1HZ   LYS 104          1HZ       LYS 104 -13.907   5.917   7.204
  808   2HZ   LYS 104          2HZ       LYS 104 -13.340   4.444   6.509
  809   3HZ   LYS 104          3HZ       LYS 104 -14.753   5.145   5.928
  810    H    LYS 105           HN       LYS 105 -10.982   6.922   2.492
  811    HA   LYS 105           HA       LYS 105 -11.753   8.032   4.346
  812   1HB   LYS 105          2HB       LYS 105  -8.819   8.421   5.160
  813   2HB   LYS 105          1HB       LYS 105  -9.935   9.623   5.584
  814   1HG   LYS 105          2HG       LYS 105 -10.866   6.971   6.627
  815   2HG   LYS 105          1HG       LYS 105  -9.302   7.404   7.111
  816   1HD   LYS 105          2HD       LYS 105 -11.276   7.981   8.536
  817   2HD   LYS 105          1HD       LYS 105 -10.258   9.345   8.154
  818   1HE   LYS 105          2HE       LYS 105 -12.122   9.497   6.057
  819   2HE   LYS 105          1HE       LYS 105 -13.122   8.784   7.297
  820   1HZ   LYS 105          1HZ       LYS 105 -12.832  10.665   8.646
  821   2HZ   LYS 105          2HZ       LYS 105 -12.976  11.282   7.075
  822   3HZ   LYS 105          3HZ       LYS 105 -11.452  11.140   7.782
  823    H    ASN 106           HN       ASN 106  -8.969   9.180   2.748
  824    HA   ASN 106           HA       ASN 106 -10.000  10.432   0.791
  825   1HB   ASN 106          2HB       ASN 106 -10.578  12.701   1.051
  826   2HB   ASN 106          1HB       ASN 106 -11.422  12.003   2.374
  827   1HD2  ASN 106          1HD2      ASN 106 -10.133  14.642   1.695
  828   2HD2  ASN 106          2HD2      ASN 106  -9.151  15.094   2.992
  829    H    GLY 107           HN       GLY 107  -7.465   9.574   2.499
  830   1HA   GLY 107          2HA       GLY 107  -5.293  10.315   1.358
  831   2HA   GLY 107          1HA       GLY 107  -5.755  11.931   1.840
  832    H    LYS 108           HN       LYS 108  -4.302   9.125   2.862
  833    HA   LYS 108           HA       LYS 108  -2.913   9.433   4.917
  834   1HB   LYS 108          2HB       LYS 108  -4.214   9.310   7.145
  835   2HB   LYS 108          1HB       LYS 108  -4.344  10.736   6.210
  836   1HG   LYS 108          2HG       LYS 108  -6.616   9.418   5.198
  837   2HG   LYS 108          1HG       LYS 108  -6.355   8.372   6.489
  838   1HD   LYS 108          2HD       LYS 108  -8.027  10.219   6.813
  839   2HD   LYS 108          1HD       LYS 108  -6.871   9.990   8.098
  840   1HE   LYS 108          2HE       LYS 108  -5.690  12.105   6.456
  841   2HE   LYS 108          1HE       LYS 108  -7.372  12.395   6.372
  842   1HZ   LYS 108          1HZ       LYS 108  -6.774  13.474   8.181
  843   2HZ   LYS 108          2HZ       LYS 108  -5.442  12.521   8.511
  844   3HZ   LYS 108          3HZ       LYS 108  -6.997  11.996   9.002
  845    H    THR 109           HN       THR 109  -5.035   7.287   3.572
  846    HA   THR 109           HA       THR 109  -5.239   5.340   3.717
  847    HB   THR 109           HB       THR 109  -3.361   4.019   3.636
  848    HG1  THR 109           HG1      THR 109  -2.170   4.486   6.076
  849   1HG2  THR 109          1HG2      THR 109  -2.403   6.591   3.780
  850   2HG2  THR 109          2HG2      THR 109  -1.566   5.234   3.308
  851   3HG2  THR 109          3HG2      THR 109  -1.465   5.806   5.001
  852    H    LYS 110           HN       LYS 110  -4.347   3.394   5.841
  853    HA   LYS 110           HA       LYS 110  -6.042   3.957   8.104
  854   1HB   LYS 110          2HB       LYS 110  -5.308   1.307   6.703
  855   2HB   LYS 110          1HB       LYS 110  -6.310   1.413   8.114
  856   1HG   LYS 110          2HG       LYS 110  -6.917   2.710   5.390
  857   2HG   LYS 110          1HG       LYS 110  -7.581   1.216   5.879
  858   1HD   LYS 110          2HD       LYS 110  -7.990   3.373   7.915
  859   2HD   LYS 110          1HD       LYS 110  -8.480   3.889   6.358
  860   1HE   LYS 110          2HE       LYS 110 -10.438   2.811   6.730
  861   2HE   LYS 110          1HE       LYS 110  -9.623   1.268   6.576
  862   1HZ   LYS 110          1HZ       LYS 110  -9.239   1.186   8.886
  863   2HZ   LYS 110          2HZ       LYS 110 -10.844   1.618   8.687
  864   3HZ   LYS 110          3HZ       LYS 110  -9.665   2.814   9.069
  865    HA   PRO 111           HA       PRO 111  -1.626   3.476   9.515
  866   1HB   PRO 111          2HB       PRO 111  -2.047   4.945  11.859
  867   2HB   PRO 111          1HB       PRO 111  -1.742   5.743  10.329
  868   1HG   PRO 111          2HG       PRO 111  -4.377   5.391  11.737
  869   2HG   PRO 111          1HG       PRO 111  -3.842   6.768  10.779
  870   1HD   PRO 111          2HD       PRO 111  -5.522   4.712   9.931
  871   2HD   PRO 111          1HD       PRO 111  -4.644   5.762   8.796
  872    H    GLY 112           HN       GLY 112  -2.058   1.311   9.814
  873   1HA   GLY 112          2HA       GLY 112  -2.597  -0.683  10.851
  874   2HA   GLY 112          1HA       GLY 112  -2.035   0.220  12.257
  875    H    SER 113           HN       SER 113  -4.775   1.349  10.962
  876    HA   SER 113           HA       SER 113  -6.025   1.658  13.208
  877   1HB   SER 113          2HB       SER 113  -6.815   2.183  10.622
  878   2HB   SER 113          1HB       SER 113  -8.106   1.092  11.072
  879    HG   SER 113           HG       SER 113  -7.500   3.266  12.704
  880    H    ARG 114           HN       ARG 114  -7.178  -1.066  11.186
  881    HA   ARG 114           HA       ARG 114  -7.448  -2.765  13.322
  882   1HB   ARG 114          2HB       ARG 114  -9.587  -1.344  13.748
  883   2HB   ARG 114          1HB       ARG 114 -10.208  -1.951  12.232
  884   1HG   ARG 114          2HG       ARG 114  -9.767  -4.354  13.153
  885   2HG   ARG 114          1HG       ARG 114  -9.433  -3.602  14.685
  886   1HD   ARG 114          2HD       ARG 114 -12.083  -3.552  13.153
  887   2HD   ARG 114          1HD       ARG 114 -11.801  -4.297  14.732
  888    HE   ARG 114           HE       ARG 114 -11.769  -1.471  13.969
  889   1HH1  ARG 114          1HH1      ARG 114 -12.350  -3.726  16.595
  890   2HH1  ARG 114          2HH1      ARG 114 -11.857  -2.712  17.888
  891   1HH2  ARG 114          1HH2      ARG 114 -10.674  -0.169  15.652
  892   2HH2  ARG 114          2HH2      ARG 114 -10.812  -0.581  17.301
  893    H    THR 115           HN       THR 115  -6.155  -3.572  11.769
  894    HA   THR 115           HA       THR 115  -7.420  -4.372   9.287
  895    HB   THR 115           HB       THR 115  -4.719  -5.272   9.913
  896    HG1  THR 115           HG1      THR 115  -4.092  -2.823   9.810
  897   1HG2  THR 115          1HG2      THR 115  -5.382  -4.965   7.835
  898   2HG2  THR 115          2HG2      THR 115  -4.440  -3.431   7.957
  899   3HG2  THR 115          3HG2      THR 115  -6.173  -3.397   7.938
  900    H    HIS 116           HN       HIS 116  -6.539  -6.722   8.695
  901    HA   HIS 116           HA       HIS 116  -6.965  -8.917  10.171
  902   1HB   HIS 116          2HB       HIS 116  -9.453  -7.198  10.296
  903   2HB   HIS 116          1HB       HIS 116  -9.875  -8.679   9.496
  904    HD1  HIS 116           HD1      HIS 116 -11.329  -9.512  11.607
  905    HD2  HIS 116           HD2      HIS 116  -7.420  -8.594  12.212
  906    HE1  HIS 116           HE1      HIS 116 -10.775 -10.426  13.949
  907    H    PHE 117           HN       PHE 117  -5.783  -9.436   8.188
  908    HA   PHE 117           HA       PHE 117  -5.944  -9.866   5.726
  909   1HB   PHE 117          2HB       PHE 117  -5.880 -12.268   5.817
  910   2HB   PHE 117          1HB       PHE 117  -4.798 -11.409   6.867
  911    HD1  PHE 117           HD1      PHE 117  -4.864 -11.704   9.264
  912    HD2  PHE 117           HD2      PHE 117  -8.016 -13.163   6.770
  913    HE1  PHE 117           HE1      PHE 117  -5.929 -12.755  11.218
  914    HE2  PHE 117           HE2      PHE 117  -9.100 -14.188   8.733
  915    HZ   PHE 117           HZ       PHE 117  -8.071 -13.943  10.966
  916    H    GLY 118           HN       GLY 118  -7.533  -9.313   4.192
  917   1HA   GLY 118          2HA       GLY 118  -9.549 -10.124   2.957
  918   2HA   GLY 118          1HA       GLY 118 -10.271 -10.577   4.486
  919    H    GLN 119           HN       GLN 119  -9.599  -8.168   5.906
  920    HA   GLN 119           HA       GLN 119 -11.685  -6.398   5.439
  921   1HB   GLN 119          2HB       GLN 119  -8.922  -5.925   6.651
  922   2HB   GLN 119          1HB       GLN 119  -9.867  -4.525   6.341
  923   1HG   GLN 119          2HG       GLN 119 -11.216  -6.780   7.813
  924   2HG   GLN 119          1HG       GLN 119  -9.998  -5.864   8.670
  925   1HE2  GLN 119          1HE2      GLN 119 -12.796  -6.053   9.136
  926   2HE2  GLN 119          2HE2      GLN 119 -13.470  -4.475   9.174
  927    H    LYS 120           HN       LYS 120 -11.906  -4.323   4.571
  928    HA   LYS 120           HA       LYS 120 -10.821  -4.208   1.911
  929   1HB   LYS 120          2HB       LYS 120 -12.503  -2.458   3.700
  930   2HB   LYS 120          1HB       LYS 120 -11.637  -1.608   2.424
  931   1HG   LYS 120          2HG       LYS 120 -12.667  -2.457   0.782
  932   2HG   LYS 120          1HG       LYS 120 -12.902  -4.040   1.394
  933   1HD   LYS 120          2HD       LYS 120 -14.568  -2.119   2.872
  934   2HD   LYS 120          1HD       LYS 120 -14.729  -1.811   1.174
  935   1HE   LYS 120          2HE       LYS 120 -14.996  -4.447   0.918
  936   2HE   LYS 120          1HE       LYS 120 -15.393  -4.373   2.633
  937   1HZ   LYS 120          1HZ       LYS 120 -16.844  -2.386   1.496
  938   2HZ   LYS 120          2HZ       LYS 120 -17.464  -3.973   1.793
  939   3HZ   LYS 120          3HZ       LYS 120 -16.824  -3.564   0.298
  940    H    ALA 121           HN       ALA 121  -9.854  -2.881   4.948
  941    HA   ALA 121           HA       ALA 121  -8.218  -0.719   4.026
  942   1HB   ALA 121          1HB       ALA 121  -6.662  -1.663   6.149
  943   2HB   ALA 121          2HB       ALA 121  -8.134  -2.543   6.483
  944   3HB   ALA 121          3HB       ALA 121  -8.153  -0.786   6.414
  945    H    ILE 122           HN       ILE 122  -7.026  -3.953   4.920
  946    HA   ILE 122           HA       ILE 122  -4.700  -3.977   3.495
  947    HB   ILE 122           HB       ILE 122  -4.925  -6.345   3.741
  948   1HG1  ILE 122          2HG1      ILE 122  -7.737  -5.623   4.808
  949   2HG1  ILE 122          1HG1      ILE 122  -7.444  -6.829   3.547
  950   1HG2  ILE 122          1HG2      ILE 122  -4.379  -4.586   5.406
  951   2HG2  ILE 122          2HG2      ILE 122  -4.932  -6.140   6.102
  952   3HG2  ILE 122          3HG2      ILE 122  -6.014  -4.790   6.032
  953   1HD1  ILE 122          1HD1      ILE 122  -7.890  -7.791   5.676
  954   2HD1  ILE 122          2HD1      ILE 122  -6.639  -7.006   6.514
  955   3HD1  ILE 122          3HD1      ILE 122  -6.234  -8.099   5.205
  956    H    LEU 123           HN       LEU 123  -7.641  -5.361   2.161
  957    HA   LEU 123           HA       LEU 123  -6.435  -5.903  -0.289
  958   1HB   LEU 123          2HB       LEU 123  -9.145  -5.314   0.846
  959   2HB   LEU 123          1HB       LEU 123  -9.120  -5.388  -0.834
  960    HG   LEU 123           HG       LEU 123  -7.747  -7.557   0.781
  961   1HD1  LEU 123          1HD1      LEU 123  -9.650  -8.597   1.376
  962   2HD1  LEU 123          2HD1      LEU 123 -10.515  -8.192  -0.100
  963   3HD1  LEU 123          3HD1      LEU 123 -10.410  -7.015   1.191
  964   1HD2  LEU 123          1HD2      LEU 123  -9.115  -8.013  -1.876
  965   2HD2  LEU 123          2HD2      LEU 123  -7.842  -8.933  -1.143
  966   3HD2  LEU 123          3HD2      LEU 123  -7.488  -7.354  -1.823
  967    H    PHE 124           HN       PHE 124  -5.590  -4.753  -1.858
  968    HA   PHE 124           HA       PHE 124  -6.593  -2.096  -2.385
  969   1HB   PHE 124          2HB       PHE 124  -3.842  -3.247  -2.070
  970   2HB   PHE 124          1HB       PHE 124  -3.900  -1.805  -3.048
  971    HD1  PHE 124           HD1      PHE 124  -2.076  -1.420  -1.057
  972    HD2  PHE 124           HD2      PHE 124  -6.288  -1.224  -0.550
  973    HE1  PHE 124           HE1      PHE 124  -1.776  -0.071   0.818
  974    HE2  PHE 124           HE2      PHE 124  -5.986   0.068   1.341
  975    HZ   PHE 124           HZ       PHE 124  -3.673   0.777   2.083
  976    H    LEU 125           HN       LEU 125  -6.410  -1.348  -4.241
  977    HA   LEU 125           HA       LEU 125  -6.597  -3.353  -6.395
  978   1HB   LEU 125          2HB       LEU 125  -8.021  -1.019  -5.551
  979   2HB   LEU 125          1HB       LEU 125  -7.614  -0.856  -7.252
  980    HG   LEU 125           HG       LEU 125  -8.745  -3.457  -6.826
  981   1HD1  LEU 125          1HD1      LEU 125 -10.506  -3.287  -5.367
  982   2HD1  LEU 125          2HD1      LEU 125 -10.915  -1.651  -5.866
  983   3HD1  LEU 125          3HD1      LEU 125  -9.675  -1.922  -4.674
  984   1HD2  LEU 125          1HD2      LEU 125  -8.974  -1.440  -8.727
  985   2HD2  LEU 125          2HD2      LEU 125 -10.577  -1.486  -8.023
  986   3HD2  LEU 125          3HD2      LEU 125  -9.854  -2.945  -8.690
  987    HA   PRO 126           HA       PRO 126  -2.685  -1.518  -7.820
  988   1HB   PRO 126          2HB       PRO 126  -1.880  -3.739  -9.297
  989   2HB   PRO 126          1HB       PRO 126  -1.763  -3.682  -7.528
  990   1HG   PRO 126          2HG       PRO 126  -3.855  -5.063  -9.212
  991   2HG   PRO 126          1HG       PRO 126  -3.108  -5.615  -7.712
  992   1HD   PRO 126          2HD       PRO 126  -5.601  -4.365  -7.919
  993   2HD   PRO 126          1HD       PRO 126  -4.605  -4.440  -6.448
  994    H    LEU 127           HN       LEU 127  -2.240  -0.502  -9.683
  995    HA   LEU 127           HA       LEU 127  -4.012  -1.054 -12.028
  996   1HB   LEU 127          2HB       LEU 127  -4.463   1.376 -12.233
  997   2HB   LEU 127          1HB       LEU 127  -5.199   0.653 -10.834
  998    HG   LEU 127           HG       LEU 127  -2.546   2.199 -10.630
  999   1HD1  LEU 127          1HD1      LEU 127  -4.246   3.604 -11.644
 1000   2HD1  LEU 127          2HD1      LEU 127  -4.078   3.999  -9.948
 1001   3HD1  LEU 127          3HD1      LEU 127  -5.444   3.053 -10.499
 1002   1HD2  LEU 127          1HD2      LEU 127  -3.382   2.463  -8.269
 1003   2HD2  LEU 127          2HD2      LEU 127  -2.992   0.823  -8.630
 1004   3HD2  LEU 127          3HD2      LEU 127  -4.668   1.325  -8.611
 1005    HA   PRO 128           HA       PRO 128  -0.281  -0.362 -14.097
 1006   1HB   PRO 128          2HB       PRO 128  -1.140  -0.065 -16.715
 1007   2HB   PRO 128          1HB       PRO 128  -1.185  -1.581 -15.843
 1008   1HG   PRO 128          2HG       PRO 128  -3.439   0.358 -16.341
 1009   2HG   PRO 128          1HG       PRO 128  -3.499  -1.402 -16.395
 1010   1HD   PRO 128          2HD       PRO 128  -4.318   0.189 -14.208
 1011   2HD   PRO 128          1HD       PRO 128  -3.848  -1.521 -14.057
 1012    H    VAL 129           HN       VAL 129  -2.163   2.253 -13.364
 1013    HA   VAL 129           HA       VAL 129  -2.099   4.362 -14.715
 1014    HB   VAL 129           HB       VAL 129  -0.840   4.058 -12.024
 1015   1HG1  VAL 129          1HG1      VAL 129   0.877   5.636 -12.660
 1016   2HG1  VAL 129          2HG1      VAL 129  -0.359   6.670 -11.998
 1017   3HG1  VAL 129          3HG1      VAL 129  -0.232   6.549 -13.698
 1018   1HG2  VAL 129          1HG2      VAL 129  -2.707   5.220 -11.380
 1019   2HG2  VAL 129          2HG2      VAL 129  -3.330   4.853 -12.988
 1020   3HG2  VAL 129          3HG2      VAL 129  -2.555   6.382 -12.681
 1021    H    SER 130           HN       SER 130   1.085   3.780 -13.586
 1022    HA   SER 130           HA       SER 130   3.113   4.425 -14.572
 1023   1HB   SER 130          2HB       SER 130   3.543   2.622 -15.654
 1024   2HB   SER 130          1HB       SER 130   1.967   2.230 -16.053
 1025    HG   SER 130           HG       SER 130   2.166   3.180 -18.029
 1026    H    SER 131           HN       SER 131   1.266   4.749 -17.519
 1027    HA   SER 131           HA       SER 131   1.457   7.521 -17.679
 1028   1HB   SER 131          2HB       SER 131   3.807   6.963 -18.336
 1029   2HB   SER 131          1HB       SER 131   3.262   5.811 -19.548
 1030    HG   SER 131           HG       SER 131   2.152   7.788 -20.452
 1031    H    ASP 132           HN       ASP 132   1.568   5.993 -20.765
 1032    HA   ASP 132           HA       ASP 132  -1.339   5.713 -20.811
 1033   1HB   ASP 132          2HB       ASP 132   0.867   6.761 -22.558
 1034   2HB   ASP 132          1HB       ASP 132  -0.237   5.756 -23.437