*HEADER    UBIQUITIN                               07-APR-99   1UD7              
*TITLE     SOLUTION STRUCTURE OF THE DESIGNED HYDROPHOBIC CORE MUTANT            
*TITLE    2 OF UBIQUITIN, 1D7                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN CORE MUTANT 1D7;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: I3V,V5L,I13V,L15I,I23V,V26F,I67L                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   4 EXPRESSION_SYSTEM_VARIANT: PLYSS;                                    
*SOURCE   5 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM                       
*KEYWDS    UBIQUITIN, DESIGNED CORE MUTANT                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    E.C.JOHNSON, G.A.LAZAR, J.R.DESJARLAIS, T.M.HANDEL                    
*REVDAT   1   06-MAY-99 1UD7    0                                                
!1Dnh dipolar coupling constants
set echo off message off end

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   2  and name N   )
       ( resid   2  and name HN  )  -5.8885  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   3  and name N   )
       ( resid   3  and name HN  )  5.1272  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   4  and name N   )
       ( resid   4  and name HN  )  6.3455  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   5  and name N   )
       ( resid   5  and name HN  )  4.7044  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name N   )
       ( resid   6  and name HN  )  4.7303  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   7  and name N   )
       ( resid   7  and name HN  )  0.5706  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name N   )
       ( resid   8  and name HN  )  5.3864  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name N   )
       ( resid   9  and name HN  )  0.761  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )  4.1088  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  )  -4.4148  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  )  3.157  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  )  2.6339  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  )  6.1488  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  )  3.6987  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  )  -0.3684  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )  -6.2505  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  )  -3.0761  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )  1.6625  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  )  7.6017  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  )  5.0259  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )  3.5745  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )  4.8361  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  )  4.368  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  )  0.7219  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  )  4.267  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  )  4.7207  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  )  2.7956  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  32  and name N   )
       ( resid  32  and name HN  )  0.5454  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  )  4.4793  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  )  3.549  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  )  -6.8811  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  )  -8.5582  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )  7.0987  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  )  0.7288  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  )  4.9522  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  42  and name N   )
       ( resid  42  and name HN  )  3.2069  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  43  and name N   )
       ( resid  43  and name HN  )  3.9421  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  )  4.1285  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  45  and name N   )
       ( resid  45  and name HN  )  2.0829  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  46  and name N   )
       ( resid  46  and name HN  )  3.3174  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  47  and name N   )
       ( resid  47  and name HN  )  4.7121  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )  1.9055  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )  3.0013  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  )  -4.8027  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  )  -10.472  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  )  3.975  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  54  and name N   )
       ( resid  54  and name HN  )  -2.7129  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  )  4.9559  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  57  and name N   )
       ( resid  57  and name HN  )  6.9732  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  )  4.6768  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  )  6.259  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  60  and name N   )
       ( resid  60  and name HN  )  4.5817  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  61  and name N   )
       ( resid  61  and name HN  )  3.7914  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  )  -0.4943  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  )  -6.4283  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  64  and name N   )
       ( resid  64  and name HN  )  7.4228  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )  2.6835  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  )  7.4895  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  )  5.3373  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  )  5.2276  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  70  and name N   )
       ( resid  70  and name HN  )  3.2017  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71  and name N   )
       ( resid  71  and name HN  )  4.2683  0.15
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  72  and name N   )
       ( resid  72  and name HN  )  3.1011  0.15

set echo on message on end

!Dihedral restraints from dihedrals.pl.inp.ft

!
! extended structure or beta sheet with  J =   8.1
 assi (resid 1 and name C) (resid   2 and name N)
 (resid   2 and name CA) (resid   2 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.8
 assi (resid 2 and name C) (resid   3  and name N)
 (resid   3  and name CA) (resid   3  and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.8
 assi (resid 3 and name C) (resid   4  and name N)
 (resid   4  and name CA) (resid   4  and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.6
 assi (resid 4 and name C) (resid   5 and name N)
 (resid   5 and name CA) (resid   5 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.7
 assi (resid 5 and name C) (resid   6 and name N)
 (resid   6 and name CA) (resid   6 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   8.4
 assi (resid 6 and name C) (resid   7 and name N)
 (resid   7 and name CA) (resid   7 and name C) 1 -120.0 20.0 2

! alpha helix with J =    4.4
 assi (resid 7 and name C)  (resid   8 and name N)
 (resid   8 and name CA) (resid   8 and name C) 1 -60.0 20.0 2

! extended structure or beta sheet with  J =   9.4
 assi (resid 8 and name C) (resid   9 and name N)
 (resid   9 and name CA) (resid   9 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.8
 assi (resid 11 and name C) (resid  12 and name N)
 (resid  12 and name CA) (resid  12 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =  10.3
 assi (resid 12 and name C) (resid  13 and name N)
 (resid  13 and name CA) (resid  13 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.2
 assi (resid 13 and name C) (resid  14 and name N)
 (resid  14 and name CA) (resid  14 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.9
 assi (resid 14 and name C) (resid  15  and name N)
 (resid  15  and name CA) (resid  15  and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   8.9
 assi (resid 15 and name C) (resid  16 and name N)
 (resid  16 and name CA) (resid  16 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.6
 assi (resid 16 and name C) (resid  17 and name N)
 (resid  17 and name CA) (resid  17 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.8
 assi (resid 17 and name C) (resid  18 and name N)
 (resid  18 and name CA) (resid  18 and name C) 1 -120.0 20.0 2

! alpha helix with J =    3.4
 assi (resid 22 and name C)  (resid  23 and name N)
 (resid  23 and name CA) (resid  23 and name C) 1 -60.0 20.0 2

! alpha helix with J =    3.3
 assi (resid 23 and name C)  (resid  24  and name N)
 (resid  24  and name CA) (resid  24  and name C) 1 -60.0 20.0 2

! alpha helix with J =    4.8
 assi (resid 25 and name C)  (resid  26 and name N)
 (resid  26 and name CA) (resid  26 and name C) 1 -60.0 20.0 2

! alpha helix with J =    3.9
 assi (resid 26 and name C)  (resid  27 and name N)
 (resid  27 and name CA) (resid  27 and name C) 1 -60.0 20.0 2

! alpha helix with J =    4.1
 assi (resid 30 and name C)  (resid  31 and name N)
 (resid  31 and name CA) (resid  31 and name C) 1 -60.0 20.0 2

! alpha helix with J =    3.9
 assi (resid 31 and name C)  (resid  32 and name N)
 (resid  32 and name CA) (resid  32 and name C) 1 -60.0 20.0 2

! extended structure or beta sheet with  J =   9.8
 assi (resid 33 and name C) (resid  34 and name N)
 (resid  34 and name CA) (resid  34 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   8.7
 assi (resid 35 and name C) (resid  36 and name N)
 (resid  36 and name CA) (resid  36 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 39 and name C) (resid  40 and name N)
 (resid  40 and name CA) (resid  40 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   8.1
 assi (resid 40 and name C) (resid  41 and name N)
 (resid  41 and name CA) (resid  41 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.9
 assi (resid 41 and name C) (resid  42 and name N)
 (resid  42 and name CA) (resid  42 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.7
 assi (resid 42 and name C) (resid  43 and name N)
 (resid  43 and name CA) (resid  43 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =  10.3
 assi (resid 43 and name C) (resid  44 and name N)
 (resid  44 and name CA) (resid  44 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.0
 assi (resid 44 and name C) (resid  45 and name N)
 (resid  45 and name CA) (resid  45 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.3
 assi (resid 50 and name C) (resid  51 and name N)
 (resid  51 and name CA) (resid  51 and name C) 1 -120.0 20.0 2

! alpha helix with J =    3.4
 assi (resid 51 and name C)  (resid  52 and name N)
 (resid  52 and name CA) (resid  52 and name C) 1 -60.0 20.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 53 and name C) (resid  54 and name N)
 (resid  54 and name CA) (resid  54 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =  10.0
 assi (resid 54 and name C) (resid  55 and name N)
 (resid  55 and name CA) (resid  55 and name C) 1 -120.0 20.0 2

! alpha helix with J =    3.8
 assi (resid 55 and name C)  (resid  56 and name N)
 (resid  56 and name CA) (resid  56 and name C) 1 -60.0 20.0 2

! alpha helix with J =    3.6
 assi (resid 56 and name C)  (resid  57 and name N)
 (resid  57 and name CA) (resid  57 and name C) 1 -60.0 20.0 2

! alpha helix with J =    4.9
 assi (resid 57 and name C)  (resid  58 and name N)
 (resid  58 and name CA) (resid  58 and name C) 1 -60.0 20.0 2

! extended structure or beta sheet with  J =  10.2
 assi (resid 58 and name C) (resid  59 and name N)
 (resid  59 and name CA) (resid  59 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 61 and name C) (resid  62 and name N)
 (resid  62 and name CA) (resid  62 and name C) 1 -120.0 20.0 2

! alpha helix with J =    2.3
 assi (resid 62 and name C)  (resid  63 and name N)
 (resid  63 and name CA) (resid  63 and name C) 1 -60.0 20.0 2

! extended structure or beta sheet with  J =  10.0
 assi (resid 65 and name C) (resid  66 and name N)
 (resid  66 and name CA) (resid  66 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 66 and name C) (resid  67 and name N)
 (resid  67 and name CA) (resid  67 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.5
 assi (resid 67 and name C) (resid  68 and name N)
 (resid  68 and name CA) (resid  68 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =   9.1
 assi (resid 68 and name C) (resid  69 and name N)
 (resid  69 and name CA) (resid  69 and name C) 1 -120.0 20.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 69 and name C) (resid  70 and name N)
 (resid  70 and name CA) (resid  70 and name C) 1 -120.0 20.0 2


! ********** The following constraints added because the sequential
!       (i-1)HA - (i)HN noe's and roe's are greater than the intraresidue
!       (i)HA - (i)HN noe/roe.

 assi (resid 48 and name C) (resid  49 and name N)
 (resid  49 and name CA) (resid  49 and name C) 1 -90.0 90.0 2

assi (resid 49 and name C) (resid  50 and name N)
 (resid  50 and name CA) (resid  50 and name C) 1 -90.0 90.0 2

assi (resid 52 and name C) (resid  53 and name N)
 (resid  53 and name CA) (resid  53 and name C) 1 -90.0 90.0 2

assi (resid 70 and name C) (resid  71 and name N)
 (resid  71 and name CA) (resid  71 and name C) 1 -90.0 90.0 2

{chi1_071197.tbl}

{9/16/97 - I'm changing the chi1 definition for Val to be between HA and HB, and the 
  chi2 definition for Leu to be between CA and HG, so I can try swapping the methyls 
  and not screw up the dihedral data.  The new chi1's are the same value as before, but 
  the Leu chi2's are the old values minus 120.}

{Valines}

assi (resid 3 and name HA ) (resid 3 and name CA )
         (resid 3 and name CB ) (resid 3 and name HB ) 1.0 -60.0 30.0 2

assi (resid 13 and name HA ) (resid 13 and name CA )
         (resid 13 and name CB ) (resid 13 and name HB ) 1.0 240.0 80.0 2
 

assi (resid 17 and name HA ) (resid 17 and name CA )
         (resid 17 and name CB ) (resid 17 and name HB ) 1.0 -60.0 30.0 2

assi (resid 23 and name HA ) (resid 23 and name CA )
         (resid 23 and name CB ) (resid 23 and name HB ) 1.0 180.0 30.0 2


{Threonines}

assi (resid 9 and name N ) (resid 9 and name CA )
         (resid 9 and name CB ) (resid 9 and name OG1 ) 1.0 60.0 30.0 2

assi (resid 12 and name N ) (resid 12 and name CA )
         (resid 12 and name CB ) (resid 12 and name OG1 ) 1.0 -120.0 80.0 2

assi (resid 22 and name N ) (resid 22 and name CA )
         (resid 22 and name CB ) (resid 22 and name OG1 ) 1.0 60.0 30.0 2

assi (resid 55 and name N ) (resid 55 and name CA )
         (resid 55 and name CB ) (resid 55 and name OG1 ) 1.0 60.0 30.0 2


{Isoleucines}

assi (resid 15 and name N ) (resid 15 and name CA )
         (resid 15 and name CB ) (resid 15 and name CG1 ) 1.0 -120.0 80.0 2

assi (resid 30 and name N ) (resid 30 and name CA )
         (resid 30 and name CB ) (resid 30 and name CG1 ) 1.0 -60.0 30.0 2

assi (resid 36 and name N ) (resid 36 and name CA )
         (resid 36 and name CB ) (resid 36 and name CG1 ) 1.0 -60.0 30.0 2

assi (resid 44 and name N ) (resid 44 and name CA )
         (resid 44 and name CB ) (resid 44 and name CG1 ) 1.0 -120.0 80.0 2

assi (resid 61 and name N ) (resid 61 and name CA )
         (resid 61 and name CB ) (resid 61 and name CG1 ) 1.0 -60.0 30.0 2

assi (resid 67 and name N ) (resid 67 and name CA )
         (resid 67 and name CB ) (resid 67 and name CG1 ) 1.0 -60.0 30.0 2

{OTHER chi1's}

assi (resid 4 and name N ) (resid 4 and name CA )
         (resid 4 and name CB ) (resid 4 and name CG ) 1.0 -60.0 30.0 2

assi (resid 5 and name N ) (resid 5 and name CA )
         (resid 5 and name CB ) (resid 5 and name CG ) 1.0 180.0 30.0 2

assi (resid 8 and name N ) (resid 8 and name CA )
         (resid 8 and name CB ) (resid 8 and name CG ) 1.0 -60.0 30.0 2

assi (resid 18 and name N ) (resid 18 and name CA )
         (resid 18 and name CB ) (resid 18 and name CG ) 1.0 -60.0 30.0 2

assi (resid 20 and name N ) (resid 20 and name CA )
         (resid 20 and name CB ) (resid 20 and name OG ) 1.0 60.0 30.0 2

assi (resid 21 and name N ) (resid 21 and name CA )
         (resid 21 and name CB ) (resid 21 and name CG ) 1.0 -60.0 30.0 2

assi (resid 26 and name N ) (resid 26 and name CA )
         (resid 26 and name CB ) (resid 26 and name CG ) 1.0 180.0 30.0 2

assi (resid 27 and name N ) (resid 27 and name CA )
         (resid 27 and name CB ) (resid 27 and name CG ) 1.0 -60.0 30.0 2

assi (resid 29 and name N ) (resid 29 and name CA )
         (resid 29 and name CB ) (resid 29 and name CG ) 1.0 -60.0 30.0 2

assi (resid 31 and name N ) (resid 31 and name CA )
         (resid 31 and name CB ) (resid 31 and name CG ) 1.0 180.0 30.0 2

assi (resid 33 and name N ) (resid 33 and name CA )
         (resid 33 and name CB ) (resid 33 and name CG ) 1.0 -60.0 30.0 2

assi (resid 34 and name N ) (resid 34 and name CA )
         (resid 34 and name CB ) (resid 34 and name CG ) 1.0 -60.0 30.0 2

assi (resid 41 and name N ) (resid 41 and name CA )
         (resid 41 and name CB ) (resid 41 and name CG ) 1.0 -60.0 30.0 2

assi (resid 43 and name N ) (resid 43 and name CA )
         (resid 43 and name CB ) (resid 43 and name CG ) 1.0 -60.0 30.0 2

assi (resid 50 and name N ) (resid 50 and name CA )
         (resid 50 and name CB ) (resid 50 and name CG ) 1.0 -60.0 30.0 2

assi (resid 51 and name N ) (resid 51 and name CA )
         (resid 51 and name CB ) (resid 51 and name CG ) 1.0 -60.0 30.0 2

assi (resid 52 and name N ) (resid 52 and name CA )
         (resid 52 and name CB ) (resid 52 and name CG ) 1.0 -60.0 30.0 2

assi (resid 56 and name N ) (resid 56 and name CA )
         (resid 56 and name CB ) (resid 56 and name CG ) 1.0 -60.0 30.0 2

assi (resid 57 and name N ) (resid 57 and name CA )
         (resid 57 and name CB ) (resid 57 and name OG ) 1.0 60.0 30.0 2

assi (resid 58 and name N ) (resid 58 and name CA )
         (resid 58 and name CB ) (resid 58 and name CG ) 1.0 -60.0 30.0 2

assi (resid 59 and name N ) (resid 59 and name CA )
         (resid 59 and name CB ) (resid 59 and name CG ) 1.0 -60.0 30.0 2

assi (resid 62 and name N ) (resid 62 and name CA )
         (resid 62 and name CB ) (resid 62 and name CG ) 1.0 -60.0 30.0 2

assi (resid 64 and name N ) (resid 64 and name CA )
         (resid 64 and name CB ) (resid 64 and name CG ) 1.0 -60.0 30.0 2

assi (resid 65 and name N ) (resid 65 and name CA )
         (resid 65 and name CB ) (resid 65 and name OG ) 1.0 -60.0 30.0 2

assi (resid 69 and name N ) (resid 69 and name CA )
         (resid 69 and name CB ) (resid 69 and name CG ) 1.0 180.0 30.0 2

{chi 2's   }
{9/16/97 - I'm changing the chi1 definition for Val to be between HA and HB, and the
  chi2 definition for Leu to be between CA and HG, so I can try swapping the methyls
  and not screw up the dihedral data.  The new chi1's are the same value as before, but
  the Leu chi2's are the old values minus 120.}

{Leu's}
assi (resid 5 and name CA ) (resid 5 and name CB )
         (resid 5 and name CG ) (resid 5 and name HG ) 1.0 -60.0 40.0 2

assi (resid 8 and name CA ) (resid 8 and name CB )
         (resid 8 and name CG ) (resid 8 and name HG ) 1.0 60.0 40.0 2

assi (resid 43 and name CA ) (resid 43 and name CB )
         (resid 43 and name CG ) (resid 43 and name HG ) 1.0 60.0 40.0 2

assi (resid 69 and name CA ) (resid 69 and name CB )
         (resid 69 and name CG ) (resid 69 and name HG ) 1.0 -60.0 40.0 2

{Ile's}
assi (resid 30 and name CA ) (resid 30 and name CB )
         (resid 30 and name CG1 ) (resid 30  and name CD1 ) 1.0 180.0 40.0 2

assi (resid 61 and name CA ) (resid 61 and name CB )
         (resid 61 and name CG1 ) (resid 61 and name CD1 ) 1.0 180.0 40.0 2
!hbonds_103097.tbl

!Hydrogen bond constraint table
!Restraints for slow exchanging amides (peaks still present in HSQC after
!       one hour of hydrogen/deuterium exchange)
!Acceptors determined by looking at preliminary structures in insight.
!
!Restrain hydrogen-acceptor distance between 1.7 and 2.2A
!Restrain donor-acceptor distance between 2.7 and 3.2A
!This should restrain the donor-hydrogen-acceptor distance to be greater than 110deg
!       (Nilges, JMB)
!-------------------------------------------



assign (resid 3 and name HN ) (resid 15 and name O ) 1.7 0.0 0.5
assign (resid 3 and name N ) (resid 15 and name O ) 2.7 0.0 0.5

assign (resid 4 and name HN ) (resid 65 and name O ) 1.7 0.0 0.5
assign (resid 4 and name N ) (resid 65 and name O ) 2.7 0.0 0.5
        
assign (resid 5 and name HN ) (resid 13 and name O ) 1.7 0.0 0.5
assign (resid 5 and name N ) (resid 13 and name O ) 2.7 0.0 0.5

assign (resid 6 and name HN ) (resid 67 and name O ) 1.7 0.0 0.5
assign (resid 6 and name N ) (resid 67 and name O ) 2.7 0.0 0.5

assign (resid 13 and name HN ) (resid 5 and name O ) 1.7 0.0 0.5
assign (resid 13 and name N ) (resid 5 and name O ) 2.7 0.0 0.5

assign (resid 15 and name HN ) (resid 3 and name O ) 1.7 0.0 0.5
assign (resid 15 and name N ) (resid 3 and name O ) 2.7 0.0 0.5

assign (resid 17 and name HN ) (resid 1 and name O ) 1.7 0.0 0.5
assign (resid 17 and name N ) (resid 1 and name O ) 2.7 0.0 0.5
        
assign (resid 18 and name HN ) ((resid 21 and name OD1 ) OR (resid 21 and name OD2)) 1.7 0.0 0.5
assign (resid 18 and name N ) ((resid 21 and name OD1 ) OR (resid 21 and name OD2)) 2.7 0.0 0.5

assign (resid 21 and name HN ) (resid 18 and name O ) 1.7 0.0 0.5
assign (resid 21 and name N ) (resid 18 and name O ) 2.7 0.0 0.5

assign (resid 23 and name HN ) (resid 54 and name O ) 1.7 0.0 0.5
assign (resid 23 and name N ) (resid 54 and name O ) 2.7 0.0 0.5


assign (resid 25 and name HN )
((resid 22 and name OG1 ) OR (resid 22 and name O )) 1.7 0.0 0.5
assign (resid 25 and name N ) 
((resid 22 and name OG1 ) OR (resid 22 and name O )) 2.7 0.0 0.5

assign (resid 26 and name HN ) (resid 22 and name O ) 1.7 0.0 0.5
assign (resid 26 and name N ) (resid 22 and name O ) 2.7 0.0 0.5

assign (resid 27 and name HN ) (resid 23 and name O ) 1.7 0.0 0.5
assign (resid 27 and name N ) (resid 23 and name O ) 2.7 0.0 0.5

assign (resid 28 and name HN ) (resid 24 and name O ) 1.7 0.0 0.5
assign (resid 28 and name N ) (resid 24 and name O ) 2.7 0.0 0.5

assign (resid 29 and name HN ) (resid 25 and name O ) 1.7 0.0 0.5
assign (resid 29 and name N ) (resid 25 and name O ) 2.7 0.0 0.5

assign (resid 30 and name HN ) (resid 26 and name O ) 1.7 0.0 0.5
assign (resid 30 and name N ) (resid 26 and name O ) 2.7 0.0 0.5

assign (resid 31 and name HN ) (resid 27 and name O ) 1.7 0.0 0.5
assign (resid 31 and name N ) (resid 27 and name O ) 2.7 0.0 0.5

{assign (resid 36 and name HN )
( (resid 34 and name OE1 ) OR (resid 34 and name O) OR (resid 30 and name O)) 1.7 0.0 0.5
assign (resid 36 and name N ) 
( (resid 34 and name OE1 ) OR (resid 34 and name O) OR (resid 30 and name O)) 2.7 0.0 0.5}
        
assign (resid 40 and name HN ) (resid 37 and name O ) 1.7 0.0 0.5
assign (resid 40 and name N ) (resid 37 and name O ) 2.7 0.0 0.5

assign (resid 41 and name HN ) (resid 38 and name O ) 1.7 0.0 0.5
assign (resid 41 and name N ) (resid 38 and name O ) 2.7 0.0 0.5

assign (resid 42 and name HN ) (resid 70 and name O ) 1.7 0.0 0.5
assign (resid 42 and name N ) (resid 70 and name O ) 2.7 0.0 0.5

assign (resid 44 and name HN ) (resid 68 and name O ) 1.7 0.0 0.5
assign (resid 44 and name N ) (resid 68 and name O ) 2.7 0.0 0.5

assign (resid 45 and name HN ) (resid 48 and name O ) 1.7 0.0 0.5
assign (resid 45 and name N ) (resid 48 and name O ) 2.7 0.0 0.5

assign (resid 48 and name HN ) (resid 45 and name O ) 1.7 0.0 0.5
assign (resid 48 and name N ) (resid 45 and name O ) 2.7 0.0 0.5
        
assign (resid 50 and name HN ) (resid 43 and name O ) 1.7 0.0 0.5
assign (resid 50 and name N ) (resid 43 and name O ) 2.7 0.0 0.5

assign (resid 51 and name HN ) (resid 59 and name OH ) 1.7 0.0 0.5
assign (resid 51 and name N ) (resid 59 and name OH ) 2.7 0.0 0.5

assign (resid 54 and name HN ) (resid 51 and name O ) 1.7 0.0 0.5
assign (resid 54 and name N ) (resid 51 and name O ) 2.7 0.0 0.5

assign (resid 55 and name HN )
( (resid 58 and name OD1 ) OR (resid 58 and name OD2) ) 1.7 0.0 0.5
assign (resid 55 and name N ) 
( (resid 58 and name OD1 ) OR (resid 58 and name OD2) ) 2.7 0.0 0.5
        
assign (resid 56 and name HN ) (resid 21 and name O ) 1.7 0.0 0.5
assign (resid 56 and name N ) (resid 21 and name O ) 2.7 0.0 0.5

assign (resid 59 and name HN ) (resid 56 and name O ) 1.7 0.0 0.5
assign (resid 59 and name N ) (resid 56 and name O ) 2.7 0.0 0.5

assign (resid 61 and name HN ) (resid 56 and name O ) 1.7 0.0 0.5
assign (resid 61 and name N ) (resid 56 and name O ) 2.7 0.0 0.5

assign (resid 67 and name HN ) (resid 4 and name O ) 1.7 0.0 0.5
assign (resid 67 and name N ) (resid 4 and name O ) 2.7 0.0 0.5

assign (resid 69 and name HN ) (resid 6 and name O ) 1.7 0.0 0.5
assign (resid 69 and name N ) (resid 6 and name O ) 2.7 0.0 0.5

assign (resid 70 and name HN ) (resid 42 and name O ) 1.7 0.0 0.5
assign (resid 70 and name N ) (resid 42 and name O ) 2.7 0.0 0.5

assign (resid 41 and name HE22) (resid 27 and name O) 1.7 0.0 0.5
assign (resid 41 and name NE2) (resid 27 and name O) 2.7 0.0 0.5

assign (resid 41 and name HE21) (resid 36 and name O) 1.7 0.0 0.5
assign (resid 41 and name NE2) (resid 36 and name O) 2.7 0.0 0.5



 ASSI { 1707}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
      6.000     6.000     0.000 peak  1707 weight  0.10000E+01 volume  0.10500E+00 ppm1      7.944 ppm2      8.353
 ASSI { 1704}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HB  ")
      6.000     6.000     0.000 peak  1704 weight  0.10000E+01 volume  0.20800E+00 ppm1      7.948 ppm2      2.060
 ASSI { 1696}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  1696 weight  0.10000E+01 volume  0.96500E+00 ppm1      7.947 ppm2      9.311
 ASSI { 1694}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak  1694 weight  0.10000E+01 volume  0.19540E+01 ppm1      7.947 ppm2      3.689
 ASSI { 1699}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HA  ")
      5.000     5.000     0.000 peak  1699 weight  0.10000E+01 volume  0.63700E+00 ppm1      7.948 ppm2      3.153
 ASSI { 1695}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  1695 weight  0.10000E+01 volume  0.11410E+01 ppm1      7.947 ppm2      3.959
 OR { 1695}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 1698}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG11")
      5.000     5.000     0.000 peak  1698 weight  0.10000E+01 volume  0.85300E+00 ppm1      7.948 ppm2      0.568
 OR { 1698}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 1698}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG12")
 ASSI { 1708}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
      6.000     6.000     0.000 peak  1708 weight  0.10000E+01 volume  0.87000E-01 ppm1      7.947 ppm2      2.429
 ASSI { 1700}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HA  ")
      5.000     5.000     0.000 peak  1700 weight  0.10000E+01 volume  0.32700E+00 ppm1      7.946 ppm2      4.183
 ASSI { 1697}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
      5.000     5.000     0.000 peak  1697 weight  0.10000E+01 volume  0.91300E+00 ppm1      7.947 ppm2      4.602
 ASSI { 1702}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  1702 weight  0.10000E+01 volume  0.20300E+00 ppm1      7.948 ppm2      8.784
 OR { 1702}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "66  " and name "HN  ")
 ASSI { 1706}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE2 ")
      6.000     6.000     0.000 peak  1706 weight  0.10000E+01 volume  0.55000E-01 ppm1      7.945 ppm2      1.490
 OR { 1706}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "63  " and name "HG1 ")
 OR { 1706}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 1706}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 1705}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB2 ")
      6.000     6.000     0.000 peak  1705 weight  0.10000E+01 volume  0.95000E-01 ppm1      7.944 ppm2      1.818
 OR { 1705}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "63  " and name "HB2 ")
 ASSI { 1701}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG22")
      6.000     6.000     0.000 peak  1701 weight  0.10000E+01 volume  0.18400E+00 ppm1      7.946 ppm2      0.326
 OR { 1701}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG23")
 OR { 1701}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG21")
 ASSI { 1093}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HD12")
      5.000     5.000     0.000 peak  1093 weight  0.10000E+01 volume  0.32900E+00 ppm1      8.263 ppm2      0.641
 OR { 1093}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HD11")
 OR { 1093}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG12")
 OR { 1093}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG13")
 OR { 1093}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG11")
 ASSI { 1097}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG11")
      6.000     6.000     0.000 peak  1097 weight  0.10000E+01 volume  0.13100E+00 ppm1      8.264 ppm2      1.333
 ASSI { 1094}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG1 ")
      5.000     5.000     0.000 peak  1094 weight  0.10000E+01 volume  0.32800E+00 ppm1      8.264 ppm2      2.186
 ASSI { 1092}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  1092 weight  0.10000E+01 volume  0.72400E+00 ppm1      8.263 ppm2      4.903
 ASSI { 1091}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
      5.000     5.000     0.000 peak  1091 weight  0.10000E+01 volume  0.14690E+01 ppm1      8.263 ppm2      0.927
 OR { 1091}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1091}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 ASSI { 1095}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB  ")
      6.000     6.000     0.000 peak  1095 weight  0.10000E+01 volume  0.21900E+00 ppm1      8.264 ppm2      1.690
 OR { 1095}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 1095}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "2   " and name "HB2 ")
 ASSI { 1088}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HA  ")
      2.700     2.700     0.000 peak  1088 weight  0.10000E+01 volume  0.42370E+01 ppm1      8.263 ppm2      4.409
 ASSI { 1090}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB2 ")
      3.300     3.300     0.000 peak  1090 weight  0.10000E+01 volume  0.26080E+01 ppm1      8.263 ppm2      1.911
 OR { 1090}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB1 ")
 ASSI { 1096}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  1096 weight  0.10000E+01 volume  0.19600E+00 ppm1      8.264 ppm2      8.899
 ASSI { 1451}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  1451 weight  0.10000E+01 volume  0.11700E+00 ppm1      9.192 ppm2      7.458
 OR { 1451}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 1449}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  1449 weight  0.10000E+01 volume  0.16400E+00 ppm1      9.194 ppm2      0.145
 OR { 1449}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 1453}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HB  ")
      6.000     6.000     0.000 peak  1453 weight  0.10000E+01 volume  0.12700E+00 ppm1      9.192 ppm2      1.778
 OR { 1453}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 1446}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "48  " and name "HN  ")
      5.000     5.000     0.000 peak  1446 weight  0.10000E+01 volume  0.71900E+00 ppm1      9.192 ppm2      8.112
 OR { 1446}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
 ASSI { 1450}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
      6.000     6.000     0.000 peak  1450 weight  0.10000E+01 volume  0.21500E+00 ppm1      9.191 ppm2      2.019
 ASSI { 1454}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      6.000     6.000     0.000 peak  1454 weight  0.10000E+01 volume  0.10300E+00 ppm1      9.193 ppm2      8.546
 ASSI { 1444}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
      5.000     5.000     0.000 peak  1444 weight  0.10000E+01 volume  0.14180E+01 ppm1      9.192 ppm2      0.679
 OR { 1444}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 1444}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 1447}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      5.000     5.000     0.000 peak  1447 weight  0.10000E+01 volume  0.63600E+00 ppm1      9.192 ppm2      5.207
 ASSI { 1452}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG12")
      6.000     6.000     0.000 peak  1452 weight  0.10000E+01 volume  0.18500E+00 ppm1      9.191 ppm2      1.079
 OR { 1452}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 1445}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak  1445 weight  0.10000E+01 volume  0.93700E+00 ppm1      9.192 ppm2      2.791
 ASSI { 1448}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  1448 weight  0.10000E+01 volume  0.58000E+00 ppm1      9.192 ppm2      2.938
 ASSI { 1443}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA  ")
      2.700     2.700     0.000 peak  1443 weight  0.10000E+01 volume  0.46190E+01 ppm1      9.192 ppm2      4.905
 OR { 1443}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 1687}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG2 ")
      5.000     5.000     0.000 peak  1687 weight  0.10000E+01 volume  0.82100E+00 ppm1      9.309 ppm2      2.132
 OR { 1687}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 1687}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "1   " and name "HB1 ")
 ASSI { 1684}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HA  ")
      3.300     3.300     0.000 peak  1684 weight  0.10000E+01 volume  0.26780E+01 ppm1      9.309 ppm2      3.151
 ASSI { 1686}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "3   " and name "HA  ")
      5.000     5.000     0.000 peak  1686 weight  0.10000E+01 volume  0.82100E+00 ppm1      9.308 ppm2      4.181
 ASSI { 1688}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG11")
      5.000     5.000     0.000 peak  1688 weight  0.10000E+01 volume  0.48200E+00 ppm1      9.310 ppm2      0.568
 OR { 1688}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG12")
 OR { 1688}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG13")
 ASSI { 1691}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
      6.000     6.000     0.000 peak  1691 weight  0.10000E+01 volume  0.28600E+00 ppm1      9.308 ppm2      2.444
 ASSI { 1680}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA  ")
      3.300     3.300     0.000 peak  1680 weight  0.10000E+01 volume  0.38890E+01 ppm1      9.309 ppm2      3.930
 ASSI { 1690}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  1690 weight  0.10000E+01 volume  0.31600E+00 ppm1      9.309 ppm2      1.471
 OR { 1690}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 1690}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 1689}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HB1 ")
      5.000     5.000     0.000 peak  1689 weight  0.10000E+01 volume  0.50600E+00 ppm1      9.309 ppm2      1.920
 ASSI { 1692}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
      6.000     6.000     0.000 peak  1692 weight  0.10000E+01 volume  0.96000E-01 ppm1      9.309 ppm2      8.380
 ASSI { 1622}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  1622 weight  0.10000E+01 volume  0.72000E-01 ppm1      7.455 ppm2      6.884
 OR { 1622}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 1617}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  1617 weight  0.10000E+01 volume  0.18400E+00 ppm1      7.457 ppm2      4.038
 ASSI { 1620}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG11")
      6.000     6.000     0.000 peak  1620 weight  0.10000E+01 volume  0.18200E+00 ppm1      7.457 ppm2      1.058
 ASSI { 1614}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
      5.000     5.000     0.000 peak  1614 weight  0.10000E+01 volume  0.60500E+00 ppm1      7.455 ppm2      4.515
 ASSI { 1618}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
      6.000     6.000     0.000 peak  1618 weight  0.10000E+01 volume  0.19800E+00 ppm1      7.457 ppm2      6.675
 ASSI { 1611}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD2 ")
      5.000     5.000     0.000 peak  1611 weight  0.10000E+01 volume  0.10820E+01 ppm1      7.456 ppm2      7.253
 OR { 1611}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 1609}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
      5.000     5.000     0.000 peak  1609 weight  0.10000E+01 volume  0.14630E+01 ppm1      7.456 ppm2      2.622
 ASSI { 1615}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB2 ")
      5.000     5.000     0.000 peak  1615 weight  0.10000E+01 volume  0.35700E+00 ppm1      7.457 ppm2      3.003
 ASSI { 1612}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      5.000     5.000     0.000 peak  1612 weight  0.10000E+01 volume  0.61700E+00 ppm1      7.455 ppm2      3.506
 ASSI { 1613}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      5.000     5.000     0.000 peak  1613 weight  0.10000E+01 volume  0.63800E+00 ppm1      7.456 ppm2      4.324
 OR { 1613}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 1613}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI { 1610}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      5.000     5.000     0.000 peak  1610 weight  0.10000E+01 volume  0.11090E+01 ppm1      7.456 ppm2      7.816
 ASSI { 1616}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
      6.000     6.000     0.000 peak  1616 weight  0.10000E+01 volume  0.25400E+00 ppm1      7.457 ppm2      2.323
 OR { 1616}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 1616}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 1619}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
      6.000     6.000     0.000 peak  1619 weight  0.10000E+01 volume  0.17600E+00 ppm1      7.455 ppm2      0.369
 OR { 1619}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 1619}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 1608}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      5.000     5.000     0.000 peak  1608 weight  0.10000E+01 volume  0.17960E+01 ppm1      7.456 ppm2      8.135
 ASSI { 1309}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG2 ")
      5.000     5.000     0.000 peak  1309 weight  0.10000E+01 volume  0.81900E+00 ppm1      7.527 ppm2      1.592
 OR { 1309}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG1 ")
 ASSI { 1306}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak  1306 weight  0.10000E+01 volume  0.14230E+01 ppm1      7.529 ppm2      4.309
 ASSI { 1304}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB2 ")
      3.300     3.300     0.000 peak  1304 weight  0.10000E+01 volume  0.26090E+01 ppm1      7.529 ppm2      1.880
 ASSI { 1307}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  1307 weight  0.10000E+01 volume  0.92600E+00 ppm1      7.527 ppm2      7.876
 ASSI { 1305}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  1305 weight  0.10000E+01 volume  0.14710E+01 ppm1      7.529 ppm2      8.809
 ASSI { 1308}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "32  " and name "HB2 ")
      5.000     5.000     0.000 peak  1308 weight  0.10000E+01 volume  0.11150E+01 ppm1      7.529 ppm2      2.779
 ASSI { 1310}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  1310 weight  0.10000E+01 volume  0.35100E+00 ppm1      7.526 ppm2      3.328
 ASSI { 1311}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  1311 weight  0.10000E+01 volume  0.14600E+00 ppm1      7.531 ppm2      8.282
 ASSI { 1009}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  1009 weight  0.10000E+01 volume  0.30300E+00 ppm1      8.658 ppm2      7.206
 ASSI { 1010}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     5.000     0.000 peak  1010 weight  0.10000E+01 volume  0.35800E+00 ppm1      8.658 ppm2      1.634
 OR { 1010}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 1016}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  1016 weight  0.10000E+01 volume  0.85000E-01 ppm1      8.659 ppm2      9.270
 ASSI { 1007}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HG21")
      3.300     3.300     0.000 peak  1007 weight  0.10000E+01 volume  0.22210E+01 ppm1      8.659 ppm2      1.164
 OR { 1007}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 1007}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 1007}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG2 ")
 ASSI { 1008}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HA  ")
      5.000     5.000     0.000 peak  1008 weight  0.10000E+01 volume  0.98100E+00 ppm1      8.658 ppm2      4.712
 ASSI { 1006}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "6   " and name "HA  ")
      2.700     2.700     0.000 peak  1006 weight  0.10000E+01 volume  0.51020E+01 ppm1      8.659 ppm2      5.198
 ASSI { 1011}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "8   " and name "HN  ")
      6.000     6.000     0.000 peak  1011 weight  0.10000E+01 volume  0.29600E+00 ppm1      8.658 ppm2      8.888
 ASSI { 1012}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HG13")
      6.000     6.000     0.000 peak  1012 weight  0.10000E+01 volume  0.12100E+00 ppm1      8.657 ppm2      0.906
 OR { 1012}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 1012}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HG12")
 OR { 1012}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HG23")
 ASSI { 1015}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "10  " and name "HA1 ")
      6.000     6.000     0.000 peak  1015 weight  0.10000E+01 volume  0.49000E-01 ppm1      8.662 ppm2      4.347
 OR { 1015}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "11  " and name "HA  ")
 ASSI { 1014}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "10  " and name "HN  ")
      6.000     6.000     0.000 peak  1014 weight  0.10000E+01 volume  0.85000E-01 ppm1      8.658 ppm2      7.869
 ASSI {  956}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      6.000     6.000     0.000 peak   956 weight  0.10000E+01 volume  0.90000E-01 ppm1      8.561 ppm2      5.112
 ASSI {  924}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG23")
      3.300     3.300     0.000 peak   924 weight  0.10000E+01 volume  0.24940E+01 ppm1      8.562 ppm2      0.582
 OR {  924}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG21")
 OR {  924}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG22")
 OR {  924}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG12")
 ASSI {  930}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG23")
      6.000     6.000     0.000 peak   930 weight  0.10000E+01 volume  0.22800E+00 ppm1      8.563 ppm2      1.121
 OR {  930}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG21")
 OR {  930}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG22")
 ASSI {  928}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "2   " and name "HB2 ")
      5.000     5.000     0.000 peak   928 weight  0.10000E+01 volume  0.61500E+00 ppm1      8.561 ppm2      1.660
 OR {  928}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI {  926}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
      5.000     5.000     0.000 peak   926 weight  0.10000E+01 volume  0.11250E+01 ppm1      8.561 ppm2      8.860
 ASSI {  929}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "2   " and name "HG2 ")
      5.000     5.000     0.000 peak   929 weight  0.10000E+01 volume  0.50100E+00 ppm1      8.561 ppm2      2.030
 OR {  929}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB  ")
 ASSI {  954}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "17  " and name "HG23")
      6.000     6.000     0.000 peak   954 weight  0.10000E+01 volume  0.12100E+00 ppm1      8.562 ppm2      0.361
 OR {  954}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "17  " and name "HG21")
 OR {  954}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "17  " and name "HG22")
 ASSI {  927}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HA  ")
      5.000     5.000     0.000 peak   927 weight  0.10000E+01 volume  0.73000E+00 ppm1      8.562 ppm2      4.177
 ASSI {  960}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "2   " and name "HG1 ")
      6.000     6.000     0.000 peak   960 weight  0.10000E+01 volume  0.10800E+00 ppm1      8.562 ppm2      2.310
 ASSI { 1357}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  1357 weight  0.10000E+01 volume  0.11580E+01 ppm1      7.898 ppm2      8.537
 ASSI { 1361}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG23")
      5.000     5.000     0.000 peak  1361 weight  0.10000E+01 volume  0.30200E+00 ppm1      7.898 ppm2      0.887
 OR { 1361}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 1361}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 1361}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 1361}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD21")
 ASSI { 1359}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     5.000     0.000 peak  1359 weight  0.10000E+01 volume  0.58300E+00 ppm1      7.898 ppm2      1.999
 ASSI { 1362}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
      6.000     6.000     0.000 peak  1362 weight  0.10000E+01 volume  0.21000E+00 ppm1      7.900 ppm2      2.738
 ASSI { 1360}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     6.000     0.000 peak  1360 weight  0.10000E+01 volume  0.28000E+00 ppm1      7.895 ppm2      4.071
 OR { 1360}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 1355}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak  1355 weight  0.10000E+01 volume  0.17500E+01 ppm1      7.898 ppm2      1.773
 ASSI { 1356}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG2 ")
      5.000     5.000     0.000 peak  1356 weight  0.10000E+01 volume  0.17820E+01 ppm1      7.898 ppm2      2.409
 OR { 1356}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 1356}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI { 1358}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  1358 weight  0.10000E+01 volume  0.12690E+01 ppm1      7.898 ppm2      4.449
 ASSI { 1363}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "72  " and name "HG2 ")
      6.000     6.000     0.000 peak  1363 weight  0.10000E+01 volume  0.12100E+00 ppm1      7.899 ppm2      1.528
 OR { 1363}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 1363}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 1363}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 1363}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG2 ")
 ASSI { 1354}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      3.300     3.300     0.000 peak  1354 weight  0.10000E+01 volume  0.22670E+01 ppm1      7.898 ppm2      7.342
 ASSI { 1026}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HG23")
      5.000     5.000     0.000 peak  1026 weight  0.10000E+01 volume  0.78000E+00 ppm1      7.653 ppm2      1.259
 OR { 1026}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HG22")
 OR { 1026}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HG21")
 ASSI { 1032}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
      6.000     6.000     0.000 peak  1032 weight  0.10000E+01 volume  0.17600E+00 ppm1      7.654 ppm2      1.714
 ASSI { 1028}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HA  ")
      5.000     5.000     0.000 peak  1028 weight  0.10000E+01 volume  0.56400E+00 ppm1      7.652 ppm2      4.429
 ASSI { 1030}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
      6.000     6.000     0.000 peak  1030 weight  0.10000E+01 volume  0.19800E+00 ppm1      7.652 ppm2      1.920
 ASSI { 1029}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HN  ")
      5.000     5.000     0.000 peak  1029 weight  0.10000E+01 volume  0.50500E+00 ppm1      7.653 ppm2      8.894
 ASSI { 1031}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
      6.000     6.000     0.000 peak  1031 weight  0.10000E+01 volume  0.13500E+00 ppm1      7.654 ppm2      7.208
 ASSI { 1027}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "10  " and name "HN  ")
      5.000     5.000     0.000 peak  1027 weight  0.10000E+01 volume  0.90100E+00 ppm1      7.654 ppm2      7.875
 ASSI { 1222}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
      5.000     5.000     0.000 peak  1222 weight  0.10000E+01 volume  0.16560E+01 ppm1      8.936 ppm2      2.006
 ASSI { 1221}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG1 ")
      3.300     3.300     0.000 peak  1221 weight  0.10000E+01 volume  0.26950E+01 ppm1      8.936 ppm2      1.615
 OR { 1221}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 1223}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  1223 weight  0.10000E+01 volume  0.13070E+01 ppm1      8.936 ppm2      3.562
 ASSI { 1224}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  1224 weight  0.10000E+01 volume  0.10340E+01 ppm1      8.936 ppm2      8.531
 ASSI { 1228}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  1228 weight  0.10000E+01 volume  0.88400E+00 ppm1      8.939 ppm2      1.432
 ASSI { 1226}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  1226 weight  0.10000E+01 volume  0.71300E+00 ppm1      8.936 ppm2      4.362
 ASSI { 1231}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  1231 weight  0.10000E+01 volume  0.27600E+00 ppm1      8.939 ppm2      4.558
 OR { 1231}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 1229}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
      5.000     5.000     0.000 peak  1229 weight  0.10000E+01 volume  0.36400E+00 ppm1      8.939 ppm2      0.803
 OR { 1229}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 1229}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 1229}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 1229}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 1229}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 ASSI { 1227}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB2 ")
      5.000     5.000     0.000 peak  1227 weight  0.10000E+01 volume  0.55100E+00 ppm1      8.939 ppm2      3.188
 ASSI { 1225}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
      5.000     5.000     0.000 peak  1225 weight  0.10000E+01 volume  0.89800E+00 ppm1      8.936 ppm2      7.882
 OR { 1225}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 1230}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  1230 weight  0.10000E+01 volume  0.38900E+00 ppm1      8.939 ppm2      3.948
 ASSI { 1233}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
      6.000     6.000     0.000 peak  1233 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.939 ppm2      2.244
 OR { 1233}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 1233}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 1232}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      6.000     6.000     0.000 peak  1232 weight  0.10000E+01 volume  0.10500E+00 ppm1      8.936 ppm2      8.152
 OR { 1232}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 1714}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "45  " and name "HE2 ")
      5.000     5.000     0.000 peak  1714 weight  0.10000E+01 volume  0.57900E+00 ppm1      8.789 ppm2      7.532
 OR { 1714}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "45  " and name "HE1 ")
 ASSI { 1710}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HB  ")
      3.300     3.300     0.000 peak  1710 weight  0.10000E+01 volume  0.21320E+01 ppm1      8.788 ppm2      4.135
 ASSI { 1711}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  1711 weight  0.10000E+01 volume  0.92800E+00 ppm1      8.790 ppm2      3.973
 ASSI { 1709}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
      3.300     3.300     0.000 peak  1709 weight  0.10000E+01 volume  0.39760E+01 ppm1      8.789 ppm2      4.606
 ASSI { 1712}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     5.000     0.000 peak  1712 weight  0.10000E+01 volume  0.54900E+00 ppm1      8.788 ppm2      5.325
 ASSI { 1715}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
      5.000     5.000     0.000 peak  1715 weight  0.10000E+01 volume  0.30300E+00 ppm1      8.789 ppm2      0.932
 OR { 1715}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 1715}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI { 1713}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak  1713 weight  0.10000E+01 volume  0.52700E+00 ppm1      8.789 ppm2      3.688
 ASSI { 1716}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HN  ")
      6.000     6.000     0.000 peak  1716 weight  0.10000E+01 volume  0.95000E-01 ppm1      8.788 ppm2      7.945
 OR { 1716}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "68  " and name "HE1 ")
 ASSI { 1728}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HB  ")
      6.000     6.000     0.000 peak  1728 weight  0.10000E+01 volume  0.14800E+00 ppm1      9.439 ppm2      4.133
 ASSI { 1725}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG11")
      5.000     5.000     0.000 peak  1725 weight  0.10000E+01 volume  0.31400E+00 ppm1      9.437 ppm2      1.474
 ASSI { 1729}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "4   " and name "HB1 ")
      6.000     6.000     0.000 peak  1729 weight  0.10000E+01 volume  0.70000E-01 ppm1      9.441 ppm2      2.807
 OR { 1729}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 1722}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD11")
      5.000     5.000     0.000 peak  1722 weight  0.10000E+01 volume  0.68300E+00 ppm1      9.439 ppm2      0.685
 OR { 1722}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 1722}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD13")
 ASSI { 1726}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  1726 weight  0.10000E+01 volume  0.25400E+00 ppm1      9.440 ppm2      1.184
 ASSI { 1724}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "4   " and name "HB2 ")
      6.000     6.000     0.000 peak  1724 weight  0.10000E+01 volume  0.28600E+00 ppm1      9.437 ppm2      3.107
 ASSI { 1723}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  1723 weight  0.10000E+01 volume  0.51600E+00 ppm1      9.439 ppm2      4.714
 ASSI { 1727}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HN  ")
      5.000     5.000     0.000 peak  1727 weight  0.10000E+01 volume  0.31600E+00 ppm1      9.439 ppm2      8.817
 ASSI { 1721}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
      5.000     5.000     0.000 peak  1721 weight  0.10000E+01 volume  0.13180E+01 ppm1      9.439 ppm2      0.940
 OR { 1721}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 1721}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI { 1720}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  1720 weight  0.10000E+01 volume  0.16210E+01 ppm1      9.439 ppm2      1.845
 ASSI { 1719}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HA  ")
      2.700     2.700     0.000 peak  1719 weight  0.10000E+01 volume  0.40860E+01 ppm1      9.439 ppm2      5.316
 ASSI { 1648}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  1648 weight  0.10000E+01 volume  0.31600E+00 ppm1      6.675 ppm2      7.472
 OR { 1648}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 1646}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG12")
      5.000     5.000     0.000 peak  1646 weight  0.10000E+01 volume  0.48300E+00 ppm1      6.675 ppm2     -0.408
 ASSI { 1643}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      5.000     5.000     0.000 peak  1643 weight  0.10000E+01 volume  0.80400E+00 ppm1      6.674 ppm2      8.132
 ASSI { 1645}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HA  ")
      5.000     5.000     0.000 peak  1645 weight  0.10000E+01 volume  0.77500E+00 ppm1      6.675 ppm2      3.192
 ASSI { 1638}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB  ")
      3.300     3.300     0.000 peak  1638 weight  0.10000E+01 volume  0.30400E+01 ppm1      6.675 ppm2      1.127
 ASSI { 1647}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  1647 weight  0.10000E+01 volume  0.21400E+00 ppm1      6.675 ppm2      2.620
 ASSI { 1642}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      5.000     5.000     0.000 peak  1642 weight  0.10000E+01 volume  0.13090E+01 ppm1      6.675 ppm2      4.341
 ASSI { 1644}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
      5.000     5.000     0.000 peak  1644 weight  0.10000E+01 volume  0.84000E+00 ppm1      6.675 ppm2      0.354
 OR { 1644}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 1644}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 1644}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG22")
 OR { 1644}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG21")
 OR { 1644}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG23")
 ASSI { 1651}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  1651 weight  0.10000E+01 volume  0.73000E-01 ppm1      6.676 ppm2      3.502
 ASSI { 1650}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
      6.000     6.000     0.000 peak  1650 weight  0.10000E+01 volume  0.93000E-01 ppm1      6.675 ppm2      7.754
 ASSI { 1649}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      6.000     6.000     0.000 peak  1649 weight  0.10000E+01 volume  0.55000E-01 ppm1      6.677 ppm2      2.849
 ASSI { 1652}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  1652 weight  0.10000E+01 volume  0.43000E-01 ppm1      6.676 ppm2      4.012
 OR { 1652}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI {  972}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HA  ")
      3.300     3.300     0.000 peak   972 weight  0.10000E+01 volume  0.27860E+01 ppm1      8.757 ppm2      4.175
 ASSI {  977}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     5.000     0.000 peak   977 weight  0.10000E+01 volume  0.82000E+00 ppm1      8.757 ppm2      5.330
 ASSI {  973}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB  ")
      3.300     3.300     0.000 peak   973 weight  0.10000E+01 volume  0.25110E+01 ppm1      8.757 ppm2      2.053
 ASSI {  975}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG23")
      5.000     5.000     0.000 peak   975 weight  0.10000E+01 volume  0.10330E+01 ppm1      8.758 ppm2      0.575
 OR {  975}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG21")
 OR {  975}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG22")
 OR {  975}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG12")
 OR {  975}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG11")
 ASSI {  981}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG23")
      6.000     6.000     0.000 peak   981 weight  0.10000E+01 volume  0.93000E-01 ppm1      8.758 ppm2      0.977
 OR {  981}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
 OR {  981}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI {  976}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB1 ")
      5.000     5.000     0.000 peak   976 weight  0.10000E+01 volume  0.53800E+00 ppm1      8.758 ppm2      2.803
 ASSI {  974}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB2 ")
      5.000     5.000     0.000 peak   974 weight  0.10000E+01 volume  0.14550E+01 ppm1      8.757 ppm2      3.116
 OR {  974}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI {  978}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HA  ")
      5.000     5.000     0.000 peak   978 weight  0.10000E+01 volume  0.74400E+00 ppm1      8.757 ppm2      5.428
 ASSI {  979}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HD1 ")
      5.000     5.000     0.000 peak   979 weight  0.10000E+01 volume  0.30000E+00 ppm1      8.759 ppm2      7.042
 OR {  979}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI {  980}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      6.000     6.000     0.000 peak   980 weight  0.10000E+01 volume  0.26600E+00 ppm1      8.757 ppm2      9.461
 OR {  980}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "5   " and name "HN  ")
 ASSI { 1371}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
      6.000     6.000     0.000 peak  1371 weight  0.10000E+01 volume  0.15800E+00 ppm1      7.342 ppm2      8.499
 OR { 1371}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 1370}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG21")
      5.000     5.000     0.000 peak  1370 weight  0.10000E+01 volume  0.37800E+00 ppm1      7.342 ppm2      0.861
 OR { 1370}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 1370}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 1370}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 1370}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 1370}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD21")
 ASSI { 1366}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  1366 weight  0.10000E+01 volume  0.14260E+01 ppm1      7.342 ppm2      2.481
 ASSI { 1367}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
      5.000     5.000     0.000 peak  1367 weight  0.10000E+01 volume  0.10470E+01 ppm1      7.342 ppm2      4.078
 OR { 1367}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 1368}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  1368 weight  0.10000E+01 volume  0.63300E+00 ppm1      7.342 ppm2      4.451
 ASSI { 1369}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  1369 weight  0.10000E+01 volume  0.72300E+00 ppm1      7.342 ppm2      1.575
 OR { 1369}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG2 ")
 ASSI { 1365}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  1365 weight  0.10000E+01 volume  0.19330E+01 ppm1      7.342 ppm2      1.915
 ASSI { 1372}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  1372 weight  0.10000E+01 volume  0.92000E-01 ppm1      7.342 ppm2      2.742
 OR { 1372}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 1422}
     (segid "    " and resid "42  " and name "HE  ")
     (segid "    " and resid "42  " and name "HD2 ")
      6.000     6.000     0.000 peak  1422 weight  0.10000E+01 volume  0.26200E+00 ppm1      7.177 ppm2      3.081
 OR { 1422}
     (segid "    " and resid "42  " and name "HE  ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 1423}
     (segid "    " and resid "42  " and name "HE  ")
     (segid "    " and resid "42  " and name "HG1 ")
      6.000     6.000     0.000 peak  1423 weight  0.10000E+01 volume  0.11200E+00 ppm1      7.178 ppm2      1.496
 OR { 1423}
     (segid "    " and resid "42  " and name "HE  ")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 1423}
     (segid "    " and resid "42  " and name "HE  ")
     (segid "    " and resid "72  " and name "HG1 ")
 ASSI { 1778}
     (segid "    " and resid "72  " and name "HE  ")
     (segid "    " and resid "72  " and name "HD2 ")
      6.000     6.000     0.000 peak  1778 weight  0.10000E+01 volume  0.11200E+00 ppm1      7.102 ppm2      3.121
 OR { 1778}
     (segid "    " and resid "72  " and name "HE  ")
     (segid "    " and resid "72  " and name "HD1 ")
 ASSI { 1104}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "3   " and name "HN  ")
      6.000     6.000     0.000 peak  1104 weight  0.10000E+01 volume  0.15200E+00 ppm1      8.943 ppm2      8.537
 OR { 1104}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
 ASSI { 1099}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG22")
      5.000     5.000     0.000 peak  1099 weight  0.10000E+01 volume  0.18660E+01 ppm1      8.943 ppm2      0.369
 OR { 1099}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 1099}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG23")
 ASSI { 1100}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG12")
      5.000     5.000     0.000 peak  1100 weight  0.10000E+01 volume  0.10100E+01 ppm1      8.942 ppm2      0.632
 OR { 1100}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG13")
 OR { 1100}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 1100}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG22")
 OR { 1100}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG21")
 ASSI { 1103}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB2 ")
      5.000     5.000     0.000 peak  1103 weight  0.10000E+01 volume  0.58400E+00 ppm1      8.943 ppm2      1.926
 OR { 1103}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB1 ")
 OR { 1103}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "2   " and name "HB1 ")
 ASSI { 1101}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  1101 weight  0.10000E+01 volume  0.94300E+00 ppm1      8.943 ppm2      4.612
 ASSI { 1102}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG2 ")
      5.000     5.000     0.000 peak  1102 weight  0.10000E+01 volume  0.72400E+00 ppm1      8.943 ppm2      2.120
 OR { 1102}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "1   " and name "HB1 ")
 OR { 1102}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB  ")
 ASSI { 1098}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HA  ")
      2.700     2.700     0.000 peak  1098 weight  0.10000E+01 volume  0.52190E+01 ppm1      8.943 ppm2      4.902
 ASSI { 1106}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  1106 weight  0.10000E+01 volume  0.10400E+00 ppm1      8.945 ppm2      2.487
 ASSI { 1107}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
      6.000     6.000     0.000 peak  1107 weight  0.10000E+01 volume  0.67000E-01 ppm1      8.945 ppm2      0.940
 OR { 1107}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 1107}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 1070}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB  ")
      5.000     5.000     0.000 peak  1070 weight  0.10000E+01 volume  0.16200E+01 ppm1      8.586 ppm2      4.031
 ASSI { 1069}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HA  ")
      2.700     2.700     0.000 peak  1069 weight  0.10000E+01 volume  0.42830E+01 ppm1      8.586 ppm2      4.661
 ASSI { 1071}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB  ")
      5.000     5.000     0.000 peak  1071 weight  0.10000E+01 volume  0.13260E+01 ppm1      8.586 ppm2      2.147
 ASSI { 1074}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG22")
      5.000     5.000     0.000 peak  1074 weight  0.10000E+01 volume  0.58900E+00 ppm1      8.585 ppm2      1.107
 OR { 1074}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 1072}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG22")
      5.000     5.000     0.000 peak  1072 weight  0.10000E+01 volume  0.98900E+00 ppm1      8.586 ppm2      0.924
 OR { 1072}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 1072}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 1072}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 1072}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG12")
 ASSI { 1073}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      5.000     5.000     0.000 peak  1073 weight  0.10000E+01 volume  0.67900E+00 ppm1      8.586 ppm2      5.105
 ASSI { 1077}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD1 ")
      6.000     6.000     0.000 peak  1077 weight  0.10000E+01 volume  0.47000E-01 ppm1      8.585 ppm2      1.665
 OR { 1077}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 1077}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 1077}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "2   " and name "HB2 ")
 ASSI { 1075}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
      6.000     6.000     0.000 peak  1075 weight  0.10000E+01 volume  0.20300E+00 ppm1      8.585 ppm2      8.826
 ASSI { 1076}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  1076 weight  0.10000E+01 volume  0.83000E-01 ppm1      8.590 ppm2      9.277
 ASSI { 1582}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "23  " and name "HN  ")
      6.000     6.000     0.000 peak  1582 weight  0.10000E+01 volume  0.15700E+00 ppm1      8.514 ppm2      8.831
 OR { 1582}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HN  ")
 ASSI { 1573}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG  ")
      3.300     3.300     0.000 peak  1573 weight  0.10000E+01 volume  0.24040E+01 ppm1      8.514 ppm2      1.654
 ASSI { 1576}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  1576 weight  0.10000E+01 volume  0.12780E+01 ppm1      8.514 ppm2      1.872
 ASSI { 1579}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD22")
      5.000     5.000     0.000 peak  1579 weight  0.10000E+01 volume  0.69300E+00 ppm1      8.514 ppm2      0.313
 OR { 1579}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 1579}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD21")
 ASSI { 1577}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  1577 weight  0.10000E+01 volume  0.86100E+00 ppm1      8.514 ppm2      4.033
 ASSI { 1575}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB  ")
      3.300     3.300     0.000 peak  1575 weight  0.10000E+01 volume  0.20930E+01 ppm1      8.514 ppm2      4.479
 ASSI { 1578}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  1578 weight  0.10000E+01 volume  0.86500E+00 ppm1      8.514 ppm2      1.072
 OR { 1578}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 1578}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 1578}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 1583}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  1583 weight  0.10000E+01 volume  0.54000E-01 ppm1      8.513 ppm2      2.909
 ASSI { 1574}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      3.300     3.300     0.000 peak  1574 weight  0.10000E+01 volume  0.22450E+01 ppm1      8.514 ppm2      5.234
 ASSI { 1581}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  1581 weight  0.10000E+01 volume  0.10600E+00 ppm1      8.514 ppm2      7.855
 OR { 1581}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
 ASSI { 1544}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
      5.000     5.000     0.000 peak  1544 weight  0.10000E+01 volume  0.10460E+01 ppm1      7.492 ppm2      4.820
 OR { 1544}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 1550}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
      5.000     5.000     0.000 peak  1550 weight  0.10000E+01 volume  0.40700E+00 ppm1      7.490 ppm2      1.065
 OR { 1550}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 1550}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 1545}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HN  ")
      5.000     5.000     0.000 peak  1545 weight  0.10000E+01 volume  0.10480E+01 ppm1      7.490 ppm2     10.142
 ASSI { 1553}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE1 ")
      6.000     6.000     0.000 peak  1553 weight  0.10000E+01 volume  0.73000E-01 ppm1      7.492 ppm2      6.853
 OR { 1553}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 1551}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "23  " and name "HN  ")
      6.000     6.000     0.000 peak  1551 weight  0.10000E+01 volume  0.26300E+00 ppm1      7.490 ppm2      8.834
 OR { 1551}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "55  " and name "HN  ")
 ASSI { 1546}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG2 ")
      5.000     5.000     0.000 peak  1546 weight  0.10000E+01 volume  0.67600E+00 ppm1      7.487 ppm2      1.660
 ASSI { 1549}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA2 ")
      5.000     5.000     0.000 peak  1549 weight  0.10000E+01 volume  0.39000E+00 ppm1      7.490 ppm2      3.942
 ASSI { 1554}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
      6.000     6.000     0.000 peak  1554 weight  0.10000E+01 volume  0.68000E-01 ppm1      7.491 ppm2      0.818
 OR { 1554}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 1554}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 1543}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
      3.300     3.300     0.000 peak  1543 weight  0.10000E+01 volume  0.23040E+01 ppm1      7.490 ppm2      2.375
 OR { 1543}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 1548}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA1 ")
      5.000     5.000     0.000 peak  1548 weight  0.10000E+01 volume  0.65300E+00 ppm1      7.490 ppm2      4.318
 ASSI { 1556}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      6.000     6.000     0.000 peak  1556 weight  0.10000E+01 volume  0.31000E-01 ppm1      7.494 ppm2      8.217
 ASSI { 1547}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
      5.000     5.000     0.000 peak  1547 weight  0.10000E+01 volume  0.52100E+00 ppm1      7.490 ppm2      1.935
 ASSI { 1552}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HD2 ")
      6.000     6.000     0.000 peak  1552 weight  0.10000E+01 volume  0.17100E+00 ppm1      7.491 ppm2      3.192
 OR { 1552}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HD1 ")
 ASSI { 1555}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB1 ")
      6.000     6.000     0.000 peak  1555 weight  0.10000E+01 volume  0.73000E-01 ppm1      7.492 ppm2      2.639
 OR { 1555}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 1299}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      6.000     6.000     0.000 peak  1299 weight  0.10000E+01 volume  0.26300E+00 ppm1      7.874 ppm2      3.785
 ASSI { 1298}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  1298 weight  0.10000E+01 volume  0.68900E+00 ppm1      7.875 ppm2      4.162
 OR { 1298}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 1295}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
      5.000     5.000     0.000 peak  1295 weight  0.10000E+01 volume  0.11560E+01 ppm1      7.874 ppm2      2.407
 ASSI { 1293}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
      5.000     5.000     0.000 peak  1293 weight  0.10000E+01 volume  0.11910E+01 ppm1      7.875 ppm2      4.323
 ASSI { 1296}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      5.000     5.000     0.000 peak  1296 weight  0.10000E+01 volume  0.91800E+00 ppm1      7.874 ppm2      8.464
 ASSI { 1297}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  1297 weight  0.10000E+01 volume  0.88600E+00 ppm1      7.874 ppm2      1.899
 OR { 1297}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 1292}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "32  " and name "HB1 ")
      3.300     3.300     0.000 peak  1292 weight  0.10000E+01 volume  0.28800E+01 ppm1      7.874 ppm2      2.800
 ASSI { 1302}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      6.000     6.000     0.000 peak  1302 weight  0.10000E+01 volume  0.69000E-01 ppm1      7.877 ppm2      8.820
 ASSI { 1300}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG2 ")
      6.000     6.000     0.000 peak  1300 weight  0.10000E+01 volume  0.15200E+00 ppm1      7.874 ppm2      1.601
 OR { 1300}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 1300}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 1300}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 1300}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 ASSI { 1301}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "30  " and name "HN  ")
      6.000     6.000     0.000 peak  1301 weight  0.10000E+01 volume  0.15100E+00 ppm1      7.873 ppm2      8.163
 ASSI { 1303}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  1303 weight  0.10000E+01 volume  0.67000E-01 ppm1      7.875 ppm2      3.333
 ASSI { 1341}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "31  " and name "HG1 ")
      6.000     6.000     0.000 peak  1341 weight  0.10000E+01 volume  0.29200E+00 ppm1      6.193 ppm2      2.275
 ASSI { 1336}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HN  ")
      5.000     5.000     0.000 peak  1336 weight  0.10000E+01 volume  0.74700E+00 ppm1      6.193 ppm2      8.300
 ASSI { 1342}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      6.000     6.000     0.000 peak  1342 weight  0.10000E+01 volume  0.12200E+00 ppm1      6.193 ppm2      8.807
 ASSI { 1337}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG23")
      5.000     5.000     0.000 peak  1337 weight  0.10000E+01 volume  0.74100E+00 ppm1      6.192 ppm2      0.855
 OR { 1337}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 1337}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 1337}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 1337}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD23")
 ASSI { 1338}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG12")
      5.000     5.000     0.000 peak  1338 weight  0.10000E+01 volume  0.56800E+00 ppm1      6.192 ppm2      1.136
 ASSI { 1334}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  1334 weight  0.10000E+01 volume  0.14260E+01 ppm1      6.192 ppm2      3.776
 ASSI { 1335}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HA  ")
      5.000     5.000     0.000 peak  1335 weight  0.10000E+01 volume  0.76900E+00 ppm1      6.191 ppm2      4.502
 ASSI { 1344}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  1344 weight  0.10000E+01 volume  0.10800E+00 ppm1      6.192 ppm2      6.443
 ASSI { 1343}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
      6.000     6.000     0.000 peak  1343 weight  0.10000E+01 volume  0.11400E+00 ppm1      6.191 ppm2      0.518
 OR { 1343}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 1343}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 1339}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HA1 ")
      5.000     5.000     0.000 peak  1339 weight  0.10000E+01 volume  0.33000E+00 ppm1      6.192 ppm2      4.122
 ASSI { 1340}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  1340 weight  0.10000E+01 volume  0.31700E+00 ppm1      6.193 ppm2      1.940
 ASSI { 1058}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
      6.000     6.000     0.000 peak  1058 weight  0.10000E+01 volume  0.87000E-01 ppm1      8.557 ppm2      7.206
 ASSI { 1050}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA  ")
      2.700     2.700     0.000 peak  1050 weight  0.10000E+01 volume  0.45960E+01 ppm1      8.558 ppm2      4.355
 ASSI { 1055}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB1 ")
      5.000     5.000     0.000 peak  1055 weight  0.10000E+01 volume  0.76400E+00 ppm1      8.557 ppm2      1.767
 ASSI { 1052}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB  ")
      5.000     5.000     0.000 peak  1052 weight  0.10000E+01 volume  0.16570E+01 ppm1      8.558 ppm2      3.925
 ASSI { 1057}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG23")
      6.000     6.000     0.000 peak  1057 weight  0.10000E+01 volume  0.20700E+00 ppm1      8.554 ppm2      1.015
 OR { 1057}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG22")
 ASSI { 1056}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  1056 weight  0.10000E+01 volume  0.30900E+00 ppm1      8.558 ppm2      1.303
 ASSI { 1054}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HA  ")
      5.000     5.000     0.000 peak  1054 weight  0.10000E+01 volume  0.59100E+00 ppm1      8.557 ppm2      5.291
 ASSI { 1059}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  1059 weight  0.10000E+01 volume  0.93000E-01 ppm1      8.559 ppm2      9.276
 ASSI { 1116}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  1116 weight  0.10000E+01 volume  0.14200E+00 ppm1      8.507 ppm2      7.882
 OR { 1116}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "25  " and name "HD21")
 ASSI { 1118}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  1118 weight  0.10000E+01 volume  0.87000E-01 ppm1      8.507 ppm2      8.946
 ASSI { 1119}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "19  " and name "HD1 ")
      6.000     6.000     0.000 peak  1119 weight  0.10000E+01 volume  0.85000E-01 ppm1      8.507 ppm2      4.016
 OR { 1119}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 1111}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
      5.000     5.000     0.000 peak  1111 weight  0.10000E+01 volume  0.10440E+01 ppm1      8.507 ppm2      0.377
 OR { 1111}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 1111}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG23")
 OR { 1111}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG22")
 OR { 1111}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 1113}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG13")
      5.000     5.000     0.000 peak  1113 weight  0.10000E+01 volume  0.48700E+00 ppm1      8.508 ppm2      0.637
 OR { 1113}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 1113}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG12")
 ASSI { 1112}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     5.000     0.000 peak  1112 weight  0.10000E+01 volume  0.63000E+00 ppm1      8.506 ppm2      5.013
 ASSI { 1108}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB  ")
      3.300     3.300     0.000 peak  1108 weight  0.10000E+01 volume  0.35930E+01 ppm1      8.506 ppm2      2.099
 ASSI { 1109}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HA  ")
      3.300     3.300     0.000 peak  1109 weight  0.10000E+01 volume  0.30150E+01 ppm1      8.507 ppm2      4.605
 ASSI { 1115}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HG1 ")
      5.000     5.000     0.000 peak  1115 weight  0.10000E+01 volume  0.44800E+00 ppm1      8.507 ppm2      2.300
 ASSI { 1114}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
      5.000     5.000     0.000 peak  1114 weight  0.10000E+01 volume  0.43100E+00 ppm1      8.507 ppm2      2.903
 ASSI { 1117}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  1117 weight  0.10000E+01 volume  0.15600E+00 ppm1      8.508 ppm2      2.587
 ASSI { 1110}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB2 ")
      5.000     5.000     0.000 peak  1110 weight  0.10000E+01 volume  0.12760E+01 ppm1      8.507 ppm2      1.651
 ASSI { 1559}
     (segid "    " and resid "54  " and name "HE  ")
     (segid "    " and resid "54  " and name "HB1 ")
      6.000     6.000     0.000 peak  1559 weight  0.10000E+01 volume  0.11500E+00 ppm1      7.147 ppm2      2.357
 OR { 1559}
     (segid "    " and resid "54  " and name "HE  ")
     (segid "    " and resid "58  " and name "HB1 ")
 ASSI { 1558}
     (segid "    " and resid "54  " and name "HE  ")
     (segid "    " and resid "54  " and name "HD1 ")
      6.000     6.000     0.000 peak  1558 weight  0.10000E+01 volume  0.14600E+00 ppm1      7.143 ppm2      3.210
 OR { 1558}
     (segid "    " and resid "54  " and name "HE  ")
     (segid "    " and resid "54  " and name "HD2 ")
 ASSI { 1023}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD23")
      6.000     6.000     0.000 peak  1023 weight  0.10000E+01 volume  0.26100E+00 ppm1      8.892 ppm2      0.773
 OR { 1023}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 1023}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD21")
 ASSI { 1022}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD22")
      5.000     5.000     0.000 peak  1022 weight  0.10000E+01 volume  0.35200E+00 ppm1      8.893 ppm2      0.967
 OR { 1022}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 1022}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD21")
 ASSI { 1021}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HG23")
      5.000     5.000     0.000 peak  1021 weight  0.10000E+01 volume  0.40400E+00 ppm1      8.892 ppm2      1.174
 OR { 1021}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 1021}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 1021}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG2 ")
 ASSI { 1019}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
      5.000     5.000     0.000 peak  1019 weight  0.10000E+01 volume  0.82500E+00 ppm1      8.892 ppm2      4.293
 ASSI { 1018}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
      5.000     5.000     0.000 peak  1018 weight  0.10000E+01 volume  0.11380E+01 ppm1      8.892 ppm2      1.741
 ASSI { 1017}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
      3.300     3.300     0.000 peak  1017 weight  0.10000E+01 volume  0.23670E+01 ppm1      8.892 ppm2      1.893
 ASSI { 1024}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "10  " and name "HN  ")
      6.000     6.000     0.000 peak  1024 weight  0.10000E+01 volume  0.55000E-01 ppm1      8.892 ppm2      7.868
 ASSI { 1324}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HA2 ")
      3.300     3.300     0.000 peak  1324 weight  0.10000E+01 volume  0.20200E+01 ppm1      8.301 ppm2      3.926
 ASSI { 1326}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HA1 ")
      5.000     5.000     0.000 peak  1326 weight  0.10000E+01 volume  0.11770E+01 ppm1      8.301 ppm2      4.099
 ASSI { 1323}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      3.300     3.300     0.000 peak  1323 weight  0.10000E+01 volume  0.21170E+01 ppm1      8.301 ppm2      8.815
 ASSI { 1327}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  1327 weight  0.10000E+01 volume  0.34000E+00 ppm1      8.300 ppm2      1.931
 OR { 1327}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 1329}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB1 ")
      6.000     6.000     0.000 peak  1329 weight  0.10000E+01 volume  0.22800E+00 ppm1      8.301 ppm2      2.282
 ASSI { 1328}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB2 ")
      6.000     6.000     0.000 peak  1328 weight  0.10000E+01 volume  0.26700E+00 ppm1      8.301 ppm2      1.660
 ASSI { 1330}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HA  ")
      6.000     6.000     0.000 peak  1330 weight  0.10000E+01 volume  0.25900E+00 ppm1      8.303 ppm2      4.489
 ASSI { 1172}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HN  ")
      5.000     5.000     0.000 peak  1172 weight  0.10000E+01 volume  0.45100E+00 ppm1     10.599 ppm2      8.797
 ASSI { 1175}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
      6.000     6.000     0.000 peak  1175 weight  0.10000E+01 volume  0.26600E+00 ppm1     10.600 ppm2      2.512
 ASSI { 1169}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  1169 weight  0.10000E+01 volume  0.59600E+00 ppm1     10.599 ppm2      3.947
 ASSI { 1173}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  1173 weight  0.10000E+01 volume  0.25400E+00 ppm1     10.600 ppm2      4.371
 ASSI { 1332}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG11")
      6.000     6.000     0.000 peak  1332 weight  0.10000E+01 volume  0.58000E-01 ppm1      8.301 ppm2      1.411
 ASSI { 1167}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
      5.000     5.000     0.000 peak  1167 weight  0.10000E+01 volume  0.12140E+01 ppm1     10.599 ppm2      2.037
 OR { 1167}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
 ASSI { 1170}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
      5.000     5.000     0.000 peak  1170 weight  0.10000E+01 volume  0.74900E+00 ppm1     10.599 ppm2      2.288
 ASSI { 1177}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  1177 weight  0.10000E+01 volume  0.11900E+00 ppm1     10.600 ppm2      3.573
 OR { 1177}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 1168}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
      5.000     5.000     0.000 peak  1168 weight  0.10000E+01 volume  0.93100E+00 ppm1     10.599 ppm2      4.811
 ASSI { 1174}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
      6.000     6.000     0.000 peak  1174 weight  0.10000E+01 volume  0.22300E+00 ppm1     10.600 ppm2      0.828
 OR { 1174}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 1174}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 ASSI { 1178}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
      6.000     6.000     0.000 peak  1178 weight  0.10000E+01 volume  0.10700E+00 ppm1     10.599 ppm2      1.063
 OR { 1178}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 1178}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 1179}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "53  " and name "HN  ")
      6.000     6.000     0.000 peak  1179 weight  0.10000E+01 volume  0.11700E+00 ppm1     10.600 ppm2     10.142
 ASSI { 1171}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      5.000     5.000     0.000 peak  1171 weight  0.10000E+01 volume  0.50800E+00 ppm1     10.599 ppm2      8.145
 ASSI { 1176}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
      6.000     6.000     0.000 peak  1176 weight  0.10000E+01 volume  0.10200E+00 ppm1     10.600 ppm2      1.332
 OR { 1176}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 1176}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 1251}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  1251 weight  0.10000E+01 volume  0.89000E-01 ppm1      7.922 ppm2      3.119
 OR { 1251}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 1251}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 1250}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG11")
      6.000     6.000     0.000 peak  1250 weight  0.10000E+01 volume  0.98000E-01 ppm1      7.924 ppm2      1.300
 ASSI { 1252}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  1252 weight  0.10000E+01 volume  0.50000E-01 ppm1      7.920 ppm2      8.922
 ASSI { 1245}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  1245 weight  0.10000E+01 volume  0.18940E+01 ppm1      7.922 ppm2      1.609
 OR { 1245}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 1245}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 1240}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG1 ")
      3.300     3.300     0.000 peak  1240 weight  0.10000E+01 volume  0.25570E+01 ppm1      7.922 ppm2      1.858
 OR { 1240}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 1240}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 1243}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  1243 weight  0.10000E+01 volume  0.18890E+01 ppm1      7.922 ppm2      2.210
 ASSI { 1248}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      5.000     5.000     0.000 peak  1248 weight  0.10000E+01 volume  0.54200E+00 ppm1      7.921 ppm2      4.558
 OR { 1248}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 1246}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  1246 weight  0.10000E+01 volume  0.12520E+01 ppm1      7.922 ppm2      4.165
 OR { 1246}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 1247}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  1247 weight  0.10000E+01 volume  0.13470E+01 ppm1      7.921 ppm2      8.175
 ASSI { 1249}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      6.000     6.000     0.000 peak  1249 weight  0.10000E+01 volume  0.12700E+00 ppm1      7.922 ppm2      8.464
 ASSI { 1682}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
      6.000     6.000     0.000 peak  1682 weight  0.10000E+01 volume  0.58000E-01 ppm1      8.368 ppm2      7.733
 ASSI { 1678}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  1678 weight  0.10000E+01 volume  0.10580E+01 ppm1      8.373 ppm2      3.930
 ASSI { 1679}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HG2 ")
      5.000     5.000     0.000 peak  1679 weight  0.10000E+01 volume  0.78800E+00 ppm1      8.373 ppm2      1.465
 ASSI { 1676}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HB2 ")
      3.300     3.300     0.000 peak  1676 weight  0.10000E+01 volume  0.25110E+01 ppm1      8.373 ppm2      1.807
 OR { 1676}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB2 ")
 ASSI { 1677}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB1 ")
      3.300     3.300     0.000 peak  1677 weight  0.10000E+01 volume  0.20240E+01 ppm1      8.373 ppm2      2.203
 ASSI { 1675}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA  ")
      3.300     3.300     0.000 peak  1675 weight  0.10000E+01 volume  0.23550E+01 ppm1      8.373 ppm2      4.544
 ASSI { 1150}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      6.000     6.000     0.000 peak  1150 weight  0.10000E+01 volume  0.10400E+00 ppm1      8.153 ppm2      5.234
 ASSI { 1153}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "23  " and name "HN  ")
      6.000     6.000     0.000 peak  1153 weight  0.10000E+01 volume  0.70000E-01 ppm1      8.149 ppm2      8.795
 OR { 1153}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 1152}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
      6.000     6.000     0.000 peak  1152 weight  0.10000E+01 volume  0.96000E-01 ppm1      8.154 ppm2      1.149
 OR { 1152}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 OR { 1152}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
 ASSI { 1145}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
      5.000     5.000     0.000 peak  1145 weight  0.10000E+01 volume  0.19710E+01 ppm1      8.153 ppm2      1.338
 OR { 1145}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 1145}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 ASSI { 1146}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  1146 weight  0.10000E+01 volume  0.10070E+01 ppm1      8.153 ppm2      2.589
 OR { 1146}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 1147}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      5.000     5.000     0.000 peak  1147 weight  0.10000E+01 volume  0.85400E+00 ppm1      8.153 ppm2      2.923
 ASSI { 1148}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
      5.000     5.000     0.000 peak  1148 weight  0.10000E+01 volume  0.77600E+00 ppm1      8.153 ppm2      3.083
 ASSI { 1144}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
      2.700     2.700     0.000 peak  1144 weight  0.10000E+01 volume  0.46880E+01 ppm1      8.153 ppm2      4.684
 ASSI { 1151}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      6.000     6.000     0.000 peak  1151 weight  0.10000E+01 volume  0.13500E+00 ppm1      8.151 ppm2      8.505
 OR { 1151}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 1151}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
 ASSI { 1154}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HD22")
      6.000     6.000     0.000 peak  1154 weight  0.10000E+01 volume  0.37000E-01 ppm1      8.152 ppm2      6.879
 ASSI { 1149}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HD21")
      6.000     6.000     0.000 peak  1149 weight  0.10000E+01 volume  0.26700E+00 ppm1      8.154 ppm2      7.862
 ASSI { 1040}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
      6.000     6.000     0.000 peak  1040 weight  0.10000E+01 volume  0.83000E-01 ppm1      7.863 ppm2      1.687
 OR { 1040}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 1040}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 1038}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG23")
      6.000     6.000     0.000 peak  1038 weight  0.10000E+01 volume  0.21300E+00 ppm1      7.865 ppm2      1.243
 OR { 1038}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG21")
 OR { 1038}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "6   " and name "HG2 ")
 OR { 1038}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG22")
 ASSI { 1033}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA2 ")
      3.300     3.300     0.000 peak  1033 weight  0.10000E+01 volume  0.25270E+01 ppm1      7.864 ppm2      3.601
 ASSI { 1035}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA1 ")
      5.000     5.000     0.000 peak  1035 weight  0.10000E+01 volume  0.17070E+01 ppm1      7.864 ppm2      4.325
 ASSI { 1034}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  1034 weight  0.10000E+01 volume  0.15300E+01 ppm1      7.865 ppm2      7.208
 ASSI { 1527}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak  1527 weight  0.10000E+01 volume  0.10260E+01 ppm1      8.193 ppm2      2.212
 ASSI { 1526}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      5.000     5.000     0.000 peak  1526 weight  0.10000E+01 volume  0.89200E+00 ppm1      8.193 ppm2      4.365
 ASSI { 1530}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
      6.000     6.000     0.000 peak  1530 weight  0.10000E+01 volume  0.23100E+00 ppm1      8.192 ppm2      0.826
 OR { 1530}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 1530}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 1529}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak  1529 weight  0.10000E+01 volume  0.34600E+00 ppm1      8.193 ppm2      1.913
 ASSI { 1525}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
      5.000     5.000     0.000 peak  1525 weight  0.10000E+01 volume  0.17500E+01 ppm1      8.193 ppm2      2.490
 ASSI { 1528}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB1 ")
      5.000     5.000     0.000 peak  1528 weight  0.10000E+01 volume  0.72000E+00 ppm1      8.193 ppm2      2.669
 ASSI { 1511}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      2.700     2.700     0.000 peak  1511 weight  0.10000E+01 volume  0.49910E+01 ppm1      8.193 ppm2      4.595
 ASSI { 1531}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "53  " and name "HN  ")
      6.000     6.000     0.000 peak  1531 weight  0.10000E+01 volume  0.11500E+00 ppm1      8.193 ppm2     10.146
 ASSI { 1051}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "6   " and name "HA  ")
      6.000     6.000     0.000 peak  1051 weight  0.10000E+01 volume  0.57000E-01 ppm1      7.207 ppm2      5.233
 ASSI { 1047}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "7   " and name "HG21")
      5.000     5.000     0.000 peak  1047 weight  0.10000E+01 volume  0.35100E+00 ppm1      7.207 ppm2      1.198
 OR { 1047}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 1047}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 1047}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "6   " and name "HG2 ")
 ASSI { 1048}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG1 ")
      5.000     5.000     0.000 peak  1048 weight  0.10000E+01 volume  0.33500E+00 ppm1      7.208 ppm2      1.383
 OR { 1048}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "6   " and name "HG1 ")
 ASSI { 1044}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA2 ")
      5.000     5.000     0.000 peak  1044 weight  0.10000E+01 volume  0.46800E+00 ppm1      7.209 ppm2      3.604
 ASSI { 1043}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA  ")
      5.000     5.000     0.000 peak  1043 weight  0.10000E+01 volume  0.15380E+01 ppm1      7.208 ppm2      4.345
 OR { 1043}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA1 ")
 ASSI { 1041}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
      3.300     3.300     0.000 peak  1041 weight  0.10000E+01 volume  0.20740E+01 ppm1      7.208 ppm2      1.688
 ASSI { 1461}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB1 ")
      6.000     6.000     0.000 peak  1461 weight  0.10000E+01 volume  0.12000E+00 ppm1      9.024 ppm2      2.927
 ASSI { 1460}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD2 ")
      5.000     5.000     0.000 peak  1460 weight  0.10000E+01 volume  0.39300E+00 ppm1      9.023 ppm2      7.452
 OR { 1460}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 1458}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB1 ")
      5.000     5.000     0.000 peak  1458 weight  0.10000E+01 volume  0.80400E+00 ppm1      9.023 ppm2      0.805
 OR { 1458}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 1458}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB3 ")
 ASSI { 1455}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      3.300     3.300     0.000 peak  1455 weight  0.10000E+01 volume  0.26450E+01 ppm1      9.023 ppm2      3.700
 ASSI { 1456}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      3.300     3.300     0.000 peak  1456 weight  0.10000E+01 volume  0.24840E+01 ppm1      9.023 ppm2      5.200
 ASSI { 1459}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
      5.000     5.000     0.000 peak  1459 weight  0.10000E+01 volume  0.62000E+00 ppm1      9.023 ppm2      8.075
 ASSI { 1290}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  1290 weight  0.10000E+01 volume  0.11900E+00 ppm1      6.806 ppm2      4.601
 ASSI { 1288}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "31  " and name "HG2 ")
      6.000     6.000     0.000 peak  1288 weight  0.10000E+01 volume  0.28100E+00 ppm1      6.806 ppm2      1.904
 OR { 1288}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "37  " and name "HB2 ")
 OR { 1288}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 1284}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  1284 weight  0.10000E+01 volume  0.14000E+00 ppm1      7.644 ppm2      4.605
 ASSI { 1283}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  1283 weight  0.10000E+01 volume  0.54300E+00 ppm1      7.644 ppm2      1.902
 OR { 1283}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 1291}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "31  " and name "HB1 ")
      6.000     6.000     0.000 peak  1291 weight  0.10000E+01 volume  0.14300E+00 ppm1      6.807 ppm2      2.379
 OR { 1291}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI { 1282}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "31  " and name "HE22")
      2.700     2.700     0.000 peak  1282 weight  0.10000E+01 volume  0.11032E+02 ppm1      7.644 ppm2      6.805
 ASSI { 1286}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     6.000     0.000 peak  1286 weight  0.10000E+01 volume  0.15700E+00 ppm1      7.645 ppm2      3.725
 ASSI { 1285}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "31  " and name "HG1 ")
      6.000     6.000     0.000 peak  1285 weight  0.10000E+01 volume  0.20400E+00 ppm1      7.643 ppm2      2.296
 ASSI { 1289}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     6.000     0.000 peak  1289 weight  0.10000E+01 volume  0.22100E+00 ppm1      6.807 ppm2      3.723
 OR { 1289}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 1567}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
      6.000     6.000     0.000 peak  1567 weight  0.10000E+01 volume  0.12300E+00 ppm1      8.879 ppm2      1.934
 ASSI { 1564}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB2 ")
      5.000     5.000     0.000 peak  1564 weight  0.10000E+01 volume  0.74000E+00 ppm1      8.879 ppm2      3.003
 ASSI { 1571}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HD2 ")
      6.000     6.000     0.000 peak  1571 weight  0.10000E+01 volume  0.12400E+00 ppm1      8.878 ppm2      3.204
 ASSI { 1565}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  1565 weight  0.10000E+01 volume  0.23400E+00 ppm1      8.881 ppm2      7.812
 ASSI { 1562}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
      5.000     5.000     0.000 peak  1562 weight  0.10000E+01 volume  0.11300E+01 ppm1      8.878 ppm2      1.143
 OR { 1562}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 1562}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 ASSI { 1560}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
      3.300     3.300     0.000 peak  1560 weight  0.10000E+01 volume  0.30110E+01 ppm1      8.878 ppm2      2.370
 OR { 1560}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 1561}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
      3.300     3.300     0.000 peak  1561 weight  0.10000E+01 volume  0.26220E+01 ppm1      8.879 ppm2      4.816
 ASSI { 1568}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  1568 weight  0.10000E+01 volume  0.19400E+00 ppm1      8.879 ppm2      4.451
 ASSI { 1563}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      5.000     5.000     0.000 peak  1563 weight  0.10000E+01 volume  0.54900E+00 ppm1      8.878 ppm2      5.234
 ASSI { 1570}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      6.000     6.000     0.000 peak  1570 weight  0.10000E+01 volume  0.11800E+00 ppm1      8.879 ppm2      7.490
 OR { 1570}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "59  " and name "HN  ")
 ASSI { 1566}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG2 ")
      6.000     6.000     0.000 peak  1566 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.879 ppm2      1.660
 ASSI { 1569}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  1569 weight  0.10000E+01 volume  0.13300E+00 ppm1      8.879 ppm2      6.861
 OR { 1569}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 1572}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
      6.000     6.000     0.000 peak  1572 weight  0.10000E+01 volume  0.68000E-01 ppm1      8.880 ppm2      8.523
 ASSI { 1264}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  1264 weight  0.10000E+01 volume  0.32900E+00 ppm1      8.164 ppm2      1.609
 OR { 1264}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 1264}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 1264}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 1264}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 1264}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 1264}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG1 ")
 ASSI { 1263}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
      5.000     5.000     0.000 peak  1263 weight  0.10000E+01 volume  0.38000E+00 ppm1      8.165 ppm2      0.539
 OR { 1263}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 1263}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
 ASSI { 1259}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG12")
      5.000     5.000     0.000 peak  1259 weight  0.10000E+01 volume  0.77000E+00 ppm1      8.164 ppm2      0.314
 ASSI { 1254}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB  ")
      3.300     3.300     0.000 peak  1254 weight  0.10000E+01 volume  0.24100E+01 ppm1      8.165 ppm2      1.978
 ASSI { 1257}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  1257 weight  0.10000E+01 volume  0.79300E+00 ppm1      8.164 ppm2      3.322
 ASSI { 1262}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  1262 weight  0.10000E+01 volume  0.30400E+00 ppm1      8.164 ppm2      4.154
 OR { 1262}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 1258}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  1258 weight  0.10000E+01 volume  0.77400E+00 ppm1      8.164 ppm2      2.223
 ASSI { 1260}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
      5.000     5.000     0.000 peak  1260 weight  0.10000E+01 volume  0.47300E+00 ppm1      8.165 ppm2      0.031
 OR { 1260}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 1260}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 ASSI { 1253}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG11")
      3.300     3.300     0.000 peak  1253 weight  0.10000E+01 volume  0.21140E+01 ppm1      8.165 ppm2      1.300
 ASSI { 1261}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  1261 weight  0.10000E+01 volume  0.36500E+00 ppm1      8.164 ppm2      4.364
 ASSI { 1255}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  1255 weight  0.10000E+01 volume  0.13910E+01 ppm1      8.164 ppm2      7.903
 OR { 1255}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
 ASSI { 1265}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  1265 weight  0.10000E+01 volume  0.12900E+00 ppm1      8.165 ppm2      6.556
 ASSI { 1256}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      5.000     5.000     0.000 peak  1256 weight  0.10000E+01 volume  0.98900E+00 ppm1      8.165 ppm2      8.464
 ASSI { 1266}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
      6.000     6.000     0.000 peak  1266 weight  0.10000E+01 volume  0.80000E-01 ppm1      8.161 ppm2      0.913
 OR { 1266}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1266}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 1266}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 1266}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 1266}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 1266}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG12")
 OR { 1266}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG22")
 ASSI { 1787}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB1 ")
      5.000     5.000     0.000 peak  1787 weight  0.10000E+01 volume  0.92200E+00 ppm1      8.441 ppm2      1.830
 OR { 1787}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 1785}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HA  ")
      3.300     3.300     0.000 peak  1785 weight  0.10000E+01 volume  0.24310E+01 ppm1      8.441 ppm2      4.389
 ASSI { 1788}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HG  ")
      5.000     5.000     0.000 peak  1788 weight  0.10000E+01 volume  0.64500E+00 ppm1      8.442 ppm2      1.571
 OR { 1788}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI { 1789}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD13")
      6.000     6.000     0.000 peak  1789 weight  0.10000E+01 volume  0.14000E+00 ppm1      8.442 ppm2      0.894
 OR { 1789}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 1789}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD23")
 ASSI { 1477}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      6.000     6.000     0.000 peak  1477 weight  0.10000E+01 volume  0.26000E-01 ppm1      8.115 ppm2      3.703
 ASSI { 1469}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak  1469 weight  0.10000E+01 volume  0.11660E+01 ppm1      8.115 ppm2      4.658
 ASSI { 1471}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
      5.000     5.000     0.000 peak  1471 weight  0.10000E+01 volume  0.86300E+00 ppm1      8.117 ppm2      0.677
 OR { 1471}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 1471}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 1474}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA1 ")
      5.000     5.000     0.000 peak  1474 weight  0.10000E+01 volume  0.33100E+00 ppm1      8.116 ppm2      4.118
 ASSI { 1479}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  1479 weight  0.10000E+01 volume  0.42000E-01 ppm1      8.114 ppm2      5.202
 ASSI { 1480}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  1480 weight  0.10000E+01 volume  0.16100E+00 ppm1      8.116 ppm2      2.831
 ASSI { 1473}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA2 ")
      5.000     5.000     0.000 peak  1473 weight  0.10000E+01 volume  0.38200E+00 ppm1      8.116 ppm2      3.451
 ASSI { 1472}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      5.000     5.000     0.000 peak  1472 weight  0.10000E+01 volume  0.67100E+00 ppm1      8.117 ppm2      9.198
 ASSI { 1470}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HG1 ")
      5.000     5.000     0.000 peak  1470 weight  0.10000E+01 volume  0.98000E+00 ppm1      8.117 ppm2      1.588
 OR { 1470}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HG2 ")
 ASSI { 1475}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA  ")
      6.000     6.000     0.000 peak  1475 weight  0.10000E+01 volume  0.23500E+00 ppm1      8.117 ppm2      4.904
 OR { 1475}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 1468}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
      3.300     3.300     0.000 peak  1468 weight  0.10000E+01 volume  0.28590E+01 ppm1      8.116 ppm2      2.037
 OR { 1468}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 1468}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 1468}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 1476}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "49  " and name "HN  ")
      5.000     5.000     0.000 peak  1476 weight  0.10000E+01 volume  0.39200E+00 ppm1      8.115 ppm2      8.623
 ASSI { 1182}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      5.000     5.000     0.000 peak  1182 weight  0.10000E+01 volume  0.13280E+01 ppm1      8.141 ppm2      2.941
 ASSI { 1185}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
      5.000     5.000     0.000 peak  1185 weight  0.10000E+01 volume  0.57800E+00 ppm1      8.141 ppm2      4.797
 OR { 1185}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
 ASSI { 1192}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  1192 weight  0.10000E+01 volume  0.86000E-01 ppm1      8.139 ppm2      8.899
 ASSI { 1180}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
      5.000     5.000     0.000 peak  1180 weight  0.10000E+01 volume  0.19170E+01 ppm1      8.140 ppm2      3.086
 ASSI { 1187}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  1187 weight  0.10000E+01 volume  0.23400E+00 ppm1      8.141 ppm2      3.946
 ASSI { 1181}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  1181 weight  0.10000E+01 volume  0.14200E+01 ppm1      8.141 ppm2      8.531
 ASSI { 1188}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
      6.000     6.000     0.000 peak  1188 weight  0.10000E+01 volume  0.14200E+00 ppm1      8.141 ppm2      1.339
 OR { 1188}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 1188}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 1186}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
      5.000     5.000     0.000 peak  1186 weight  0.10000E+01 volume  0.47400E+00 ppm1      8.140 ppm2      2.542
 ASSI { 1189}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  1189 weight  0.10000E+01 volume  0.21500E+00 ppm1      8.142 ppm2      3.567
 OR { 1189}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 1183}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      5.000     5.000     0.000 peak  1183 weight  0.10000E+01 volume  0.10090E+01 ppm1      8.141 ppm2      4.544
 ASSI { 1197}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  1197 weight  0.10000E+01 volume  0.31000E-01 ppm1      7.838 ppm2      2.589
 ASSI { 1205}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "25  " and name "HB2 ")
      6.000     6.000     0.000 peak  1205 weight  0.10000E+01 volume  0.10200E+00 ppm1      6.884 ppm2      2.968
 ASSI { 1193}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     6.000     0.000 peak  1193 weight  0.10000E+01 volume  0.26700E+00 ppm1      7.840 ppm2      4.549
 OR { 1193}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 1191}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "25  " and name "HB1 ")
      5.000     5.000     0.000 peak  1191 weight  0.10000E+01 volume  0.32000E+00 ppm1      7.840 ppm2      3.093
 ASSI { 1201}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  1201 weight  0.10000E+01 volume  0.20000E+00 ppm1      6.884 ppm2      3.108
 OR { 1201}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 1194}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "22  " and name "HN  ")
      6.000     6.000     0.000 peak  1194 weight  0.10000E+01 volume  0.22200E+00 ppm1      7.839 ppm2      8.141
 OR { 1194}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "25  " and name "HN  ")
 ASSI { 1196}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "22  " and name "HA  ")
      6.000     6.000     0.000 peak  1196 weight  0.10000E+01 volume  0.13600E+00 ppm1      7.841 ppm2      4.734
 ASSI { 1190}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "25  " and name "HD22")
      2.700     2.700     0.000 peak  1190 weight  0.10000E+01 volume  0.13397E+02 ppm1      7.840 ppm2      6.881
 ASSI { 1207}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "29  " and name "HG2 ")
      6.000     6.000     0.000 peak  1207 weight  0.10000E+01 volume  0.37000E-01 ppm1      6.888 ppm2      1.608
 OR { 1207}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 1207}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 1198}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "28  " and name "HB3 ")
      6.000     6.000     0.000 peak  1198 weight  0.10000E+01 volume  0.35000E-01 ppm1      7.841 ppm2      1.628
 OR { 1198}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "18  " and name "HB2 ")
 OR { 1198}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 1198}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 1198}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 1195}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "25  " and name "HB2 ")
      6.000     6.000     0.000 peak  1195 weight  0.10000E+01 volume  0.16800E+00 ppm1      7.840 ppm2      2.949
 ASSI { 1204}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "22  " and name "HN  ")
      6.000     6.000     0.000 peak  1204 weight  0.10000E+01 volume  0.13400E+00 ppm1      6.884 ppm2      8.146
 OR { 1204}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "25  " and name "HN  ")
 ASSI { 1202}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     6.000     0.000 peak  1202 weight  0.10000E+01 volume  0.11800E+00 ppm1      6.884 ppm2      4.552
 OR { 1202}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 1199}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "22  " and name "HG23")
      6.000     6.000     0.000 peak  1199 weight  0.10000E+01 volume  0.27000E-01 ppm1      7.840 ppm2      1.335
 OR { 1199}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "22  " and name "HG21")
 OR { 1199}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "22  " and name "HG22")
 ASSI { 1436}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HB  ")
      5.000     5.000     0.000 peak  1436 weight  0.10000E+01 volume  0.16250E+01 ppm1      9.113 ppm2      1.775
 ASSI { 1438}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD12")
      5.000     5.000     0.000 peak  1438 weight  0.10000E+01 volume  0.90200E+00 ppm1      9.113 ppm2      0.708
 OR { 1438}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 1438}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD13")
 ASSI { 1442}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG11")
      5.000     5.000     0.000 peak  1442 weight  0.10000E+01 volume  0.46800E+00 ppm1      9.114 ppm2      1.383
 ASSI { 1441}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA  ")
      5.000     5.000     0.000 peak  1441 weight  0.10000E+01 volume  0.59600E+00 ppm1      9.115 ppm2      4.913
 ASSI { 1437}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
      5.000     5.000     0.000 peak  1437 weight  0.10000E+01 volume  0.14610E+01 ppm1      9.114 ppm2      1.022
 OR { 1437}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 1437}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 ASSI { 1434}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      2.700     2.700     0.000 peak  1434 weight  0.10000E+01 volume  0.40190E+01 ppm1      9.114 ppm2      5.343
 ASSI { 1439}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "68  " and name "HN  ")
      5.000     5.000     0.000 peak  1439 weight  0.10000E+01 volume  0.62800E+00 ppm1      9.114 ppm2      9.360
 ASSI { 1440}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
      5.000     5.000     0.000 peak  1440 weight  0.10000E+01 volume  0.55700E+00 ppm1      9.114 ppm2      3.097
 OR { 1440}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 1794}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB1 ")
      6.000     6.000     0.000 peak  1794 weight  0.10000E+01 volume  0.77000E-01 ppm1      8.480 ppm2      1.820
 OR { 1794}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 1793}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HA  ")
      5.000     5.000     0.000 peak  1793 weight  0.10000E+01 volume  0.69500E+00 ppm1      8.481 ppm2      4.289
 ASSI { 1792}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA2 ")
      5.000     5.000     0.000 peak  1792 weight  0.10000E+01 volume  0.70600E+00 ppm1      8.481 ppm2      3.965
 OR { 1792}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA1 ")
 ASSI { 1795}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB2 ")
      6.000     6.000     0.000 peak  1795 weight  0.10000E+01 volume  0.56000E-01 ppm1      8.481 ppm2      1.597
 OR { 1795}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 1166}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD23")
      6.000     6.000     0.000 peak  1166 weight  0.10000E+01 volume  0.68000E-01 ppm1      8.794 ppm2      0.307
 OR { 1166}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 1166}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 1159}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak  1159 weight  0.10000E+01 volume  0.87200E+00 ppm1      8.796 ppm2      3.569
 ASSI { 1162}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
      5.000     5.000     0.000 peak  1162 weight  0.10000E+01 volume  0.35800E+00 ppm1      8.795 ppm2      0.824
 OR { 1162}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 1162}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 1156}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
      3.300     3.300     0.000 peak  1156 weight  0.10000E+01 volume  0.23210E+01 ppm1      8.796 ppm2      2.263
 ASSI { 1157}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
      3.300     3.300     0.000 peak  1157 weight  0.10000E+01 volume  0.25190E+01 ppm1      8.796 ppm2      4.793
 OR { 1157}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 1158}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      5.000     5.000     0.000 peak  1158 weight  0.10000E+01 volume  0.84600E+00 ppm1      8.797 ppm2      5.234
 ASSI { 1155}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
      3.300     3.300     0.000 peak  1155 weight  0.10000E+01 volume  0.23400E+01 ppm1      8.796 ppm2      1.059
 OR { 1155}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 1155}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 1161}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
      5.000     5.000     0.000 peak  1161 weight  0.10000E+01 volume  0.41400E+00 ppm1      8.796 ppm2      1.328
 OR { 1161}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 1161}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 1163}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  1163 weight  0.10000E+01 volume  0.19000E+00 ppm1      8.796 ppm2      4.394
 ASSI { 1165}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      6.000     6.000     0.000 peak  1165 weight  0.10000E+01 volume  0.80000E-01 ppm1      8.796 ppm2      7.497
 ASSI { 1164}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      6.000     6.000     0.000 peak  1164 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.797 ppm2      8.161
 OR { 1164}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
 ASSI { 1483}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HG1 ")
      5.000     5.000     0.000 peak  1483 weight  0.10000E+01 volume  0.30000E+00 ppm1      8.617 ppm2      1.583
 OR { 1483}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HG2 ")
 ASSI { 1482}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      5.000     5.000     0.000 peak  1482 weight  0.10000E+01 volume  0.96500E+00 ppm1      8.617 ppm2      4.901
 ASSI { 1481}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB2 ")
      2.700     2.700     0.000 peak  1481 weight  0.10000E+01 volume  0.43030E+01 ppm1      8.617 ppm2      1.971
 OR { 1481}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB1 ")
 ASSI { 1484}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG1 ")
      5.000     5.000     0.000 peak  1484 weight  0.10000E+01 volume  0.39300E+00 ppm1      8.616 ppm2      2.257
 OR { 1484}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 1478}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      2.700     2.700     0.000 peak  1478 weight  0.10000E+01 volume  0.47200E+01 ppm1      8.617 ppm2      4.654
 ASSI { 1485}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
      6.000     6.000     0.000 peak  1485 weight  0.10000E+01 volume  0.19200E+00 ppm1      8.616 ppm2      0.660
 OR { 1485}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 1485}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 1485}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 1485}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD12")
 ASSI { 1540}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
      6.000     6.000     0.000 peak  1540 weight  0.10000E+01 volume  0.70000E-01 ppm1     10.142 ppm2      0.821
 OR { 1540}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 1540}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 1375}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "37  " and name "HG2 ")
      6.000     6.000     0.000 peak  1375 weight  0.10000E+01 volume  0.25500E+00 ppm1      7.671 ppm2      2.040
 ASSI { 1536}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
      5.000     5.000     0.000 peak  1536 weight  0.10000E+01 volume  0.33500E+00 ppm1     10.142 ppm2      2.263
 ASSI { 1538}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
      6.000     6.000     0.000 peak  1538 weight  0.10000E+01 volume  0.16800E+00 ppm1     10.144 ppm2      4.793
 OR { 1538}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 1537}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
      5.000     5.000     0.000 peak  1537 weight  0.10000E+01 volume  0.30000E+00 ppm1     10.142 ppm2      2.487
 OR { 1537}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 1535}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB1 ")
      5.000     5.000     0.000 peak  1535 weight  0.10000E+01 volume  0.48800E+00 ppm1     10.143 ppm2      2.668
 ASSI { 1533}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA2 ")
      5.000     5.000     0.000 peak  1533 weight  0.10000E+01 volume  0.14920E+01 ppm1     10.143 ppm2      3.942
 ASSI { 1532}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      3.300     3.300     0.000 peak  1532 weight  0.10000E+01 volume  0.26010E+01 ppm1     10.143 ppm2      4.360
 ASSI { 1381}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "40  " and name "HG2 ")
      5.000     5.000     0.000 peak  1381 weight  0.10000E+01 volume  0.42600E+00 ppm1      6.760 ppm2      2.376
 OR { 1381}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 1381}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI { 1640}
     (segid "    " and resid "60  " and name "HD22")
     (segid "    " and resid "60  " and name "HB2 ")
      6.000     6.000     0.000 peak  1640 weight  0.10000E+01 volume  0.76000E-01 ppm1      6.824 ppm2      2.850
 ASSI { 1373}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "40  " and name "HE22")
      2.700     2.700     0.000 peak  1373 weight  0.10000E+01 volume  0.14911E+02 ppm1      7.671 ppm2      6.761
 ASSI { 1376}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "71  " and name "HD22")
      6.000     6.000     0.000 peak  1376 weight  0.10000E+01 volume  0.68000E-01 ppm1      7.676 ppm2      0.908
 OR { 1376}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "71  " and name "HD23")
 OR { 1376}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "36  " and name "HG22")
 OR { 1376}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "71  " and name "HD21")
 ASSI { 1374}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "40  " and name "HG1 ")
      5.000     5.000     0.000 peak  1374 weight  0.10000E+01 volume  0.77500E+00 ppm1      7.670 ppm2      2.372
 OR { 1374}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "40  " and name "HG2 ")
 ASSI { 1767}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HN  ")
      6.000     6.000     0.000 peak  1767 weight  0.10000E+01 volume  0.94000E-01 ppm1      8.106 ppm2      9.130
 ASSI { 1766}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "72  " and name "HN  ")
      6.000     6.000     0.000 peak  1766 weight  0.10000E+01 volume  0.15500E+00 ppm1      8.106 ppm2      8.510
 ASSI { 1383}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "37  " and name "HG2 ")
      6.000     6.000     0.000 peak  1383 weight  0.10000E+01 volume  0.19000E+00 ppm1      6.760 ppm2      2.046
 ASSI { 1764}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG12")
      5.000     5.000     0.000 peak  1764 weight  0.10000E+01 volume  0.14850E+01 ppm1      8.106 ppm2      0.946
 OR { 1764}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 1764}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 1764}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 1764}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 1764}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "8   " and name "HD22")
 ASSI { 1378}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "40  " and name "HB2 ")
      6.000     6.000     0.000 peak  1378 weight  0.10000E+01 volume  0.58000E-01 ppm1      7.676 ppm2      1.791
 ASSI { 1763}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB  ")
      5.000     5.000     0.000 peak  1763 weight  0.10000E+01 volume  0.11320E+01 ppm1      8.105 ppm2      2.080
 ASSI { 1635}
     (segid "    " and resid "60  " and name "HD21")
     (segid "    " and resid "60  " and name "HB2 ")
      6.000     6.000     0.000 peak  1635 weight  0.10000E+01 volume  0.17000E+00 ppm1      7.532 ppm2      2.862
 ASSI { 1639}
     (segid "    " and resid "60  " and name "HD22")
     (segid "    " and resid "60  " and name "HB1 ")
      6.000     6.000     0.000 peak  1639 weight  0.10000E+01 volume  0.14000E+00 ppm1      6.826 ppm2      3.303
 ASSI { 1762}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HB2 ")
      3.300     3.300     0.000 peak  1762 weight  0.10000E+01 volume  0.34330E+01 ppm1      8.106 ppm2      1.612
 OR { 1762}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HB1 ")
 ASSI { 1633}
     (segid "    " and resid "60  " and name "HD21")
     (segid "    " and resid "60  " and name "HD22")
      2.700     2.700     0.000 peak  1633 weight  0.10000E+01 volume  0.14798E+02 ppm1      7.532 ppm2      6.824
 ASSI { 1760}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HA  ")
      3.300     3.300     0.000 peak  1760 weight  0.10000E+01 volume  0.35800E+01 ppm1      8.106 ppm2      4.386
 ASSI { 1634}
     (segid "    " and resid "60  " and name "HD21")
     (segid "    " and resid "60  " and name "HB1 ")
      6.000     6.000     0.000 peak  1634 weight  0.10000E+01 volume  0.29000E+00 ppm1      7.532 ppm2      3.305
 ASSI { 1384}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "71  " and name "HD22")
      6.000     6.000     0.000 peak  1384 weight  0.10000E+01 volume  0.51000E-01 ppm1      6.760 ppm2      0.900
 OR { 1384}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "71  " and name "HD21")
 OR { 1384}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "71  " and name "HD23")
 OR { 1384}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 1379}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "37  " and name "HD2 ")
      6.000     6.000     0.000 peak  1379 weight  0.10000E+01 volume  0.14000E-01 ppm1      7.676 ppm2      3.543
 ASSI { 1542}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
      6.000     6.000     0.000 peak  1542 weight  0.10000E+01 volume  0.41000E-01 ppm1     10.141 ppm2      1.070
 OR { 1542}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 1542}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 1377}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "40  " and name "HA  ")
      6.000     6.000     0.000 peak  1377 weight  0.10000E+01 volume  0.58000E-01 ppm1      7.676 ppm2      4.464
 OR { 1377}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 1217}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD1 ")
      6.000     6.000     0.000 peak  1217 weight  0.10000E+01 volume  0.11100E+00 ppm1      8.535 ppm2      7.068
 OR { 1217}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 1219}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
      6.000     6.000     0.000 peak  1219 weight  0.10000E+01 volume  0.82000E-01 ppm1      8.535 ppm2      0.811
 OR { 1219}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 1219}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 1219}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 1219}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 ASSI { 1215}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  1215 weight  0.10000E+01 volume  0.13900E+00 ppm1      8.535 ppm2      2.580
 ASSI { 1210}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      5.000     5.000     0.000 peak  1210 weight  0.10000E+01 volume  0.13010E+01 ppm1      8.535 ppm2      4.552
 OR { 1210}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 1216}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
      6.000     6.000     0.000 peak  1216 weight  0.10000E+01 volume  0.14000E+00 ppm1      8.535 ppm2      7.880
 OR { 1216}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HD21")
 ASSI { 1208}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB2 ")
      3.300     3.300     0.000 peak  1208 weight  0.10000E+01 volume  0.25520E+01 ppm1      8.535 ppm2      3.184
 ASSI { 1206}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB1 ")
      3.300     3.300     0.000 peak  1206 weight  0.10000E+01 volume  0.28840E+01 ppm1      8.535 ppm2      3.561
 OR { 1206}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 1212}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      5.000     5.000     0.000 peak  1212 weight  0.10000E+01 volume  0.83100E+00 ppm1      8.535 ppm2      2.942
 ASSI { 1213}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG1 ")
      6.000     6.000     0.000 peak  1213 weight  0.10000E+01 volume  0.22800E+00 ppm1      8.536 ppm2      1.622
 OR { 1213}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 1213}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 1213}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 1213}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 1213}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI { 1214}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD22")
      6.000     6.000     0.000 peak  1214 weight  0.10000E+01 volume  0.18200E+00 ppm1      8.535 ppm2      0.339
 OR { 1214}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 1214}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 1214}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 1220}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  1220 weight  0.10000E+01 volume  0.51000E-01 ppm1      8.535 ppm2      3.961
 ASSI { 1218}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
      6.000     6.000     0.000 peak  1218 weight  0.10000E+01 volume  0.10400E+00 ppm1      8.536 ppm2      2.042
 OR { 1218}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 1218}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI {  923}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "2   " and name "HG1 ")
      6.000     6.000     0.000 peak   923 weight  0.10000E+01 volume  0.83000E-01 ppm1      6.726 ppm2      2.300
 ASSI {  918}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "14  " and name "HG22")
      6.000     6.000     0.000 peak   918 weight  0.10000E+01 volume  0.13400E+00 ppm1      7.650 ppm2      1.109
 OR {  918}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "14  " and name "HG21")
 OR {  918}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "14  " and name "HG23")
 ASSI {  919}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "2   " and name "HG1 ")
      6.000     6.000     0.000 peak   919 weight  0.10000E+01 volume  0.25700E+00 ppm1      7.650 ppm2      2.293
 ASSI {  915}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "40  " and name "HE21")
      2.700     2.700     0.000 peak   915 weight  0.10000E+01 volume  0.13768E+02 ppm1      6.723 ppm2      7.649
 OR {  915}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "2   " and name "HE21")
 ASSI {  922}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "14  " and name "HG23")
      6.000     6.000     0.000 peak   922 weight  0.10000E+01 volume  0.13500E+00 ppm1      6.726 ppm2      1.109
 OR {  922}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "14  " and name "HG21")
 ASSI {  920}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "16  " and name "HB1 ")
      6.000     6.000     0.000 peak   920 weight  0.10000E+01 volume  0.17000E+00 ppm1      6.722 ppm2      1.965
 OR {  920}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "2   " and name "HG2 ")
 OR {  920}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "37  " and name "HB2 ")
 ASSI {  917}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "2   " and name "HG2 ")
      5.000     5.000     0.000 peak   917 weight  0.10000E+01 volume  0.35900E+00 ppm1      7.650 ppm2      1.971
 OR {  917}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "37  " and name "HB2 ")
 ASSI { 1280}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "32  " and name "HB2 ")
      6.000     6.000     0.000 peak  1280 weight  0.10000E+01 volume  0.58000E-01 ppm1      8.456 ppm2      2.780
 OR { 1280}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "32  " and name "HB1 ")
 ASSI { 1281}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
      6.000     6.000     0.000 peak  1281 weight  0.10000E+01 volume  0.55000E-01 ppm1      8.457 ppm2      0.035
 OR { 1281}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 1281}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 1271}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  1271 weight  0.10000E+01 volume  0.84900E+00 ppm1      8.457 ppm2      3.777
 ASSI { 1244}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  1244 weight  0.10000E+01 volume  0.15300E+00 ppm1      7.880 ppm2      3.930
 ASSI { 1276}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  1276 weight  0.10000E+01 volume  0.17400E+00 ppm1      8.457 ppm2      3.327
 ASSI { 1238}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      5.000     5.000     0.000 peak  1238 weight  0.10000E+01 volume  0.74400E+00 ppm1      7.880 ppm2      4.562
 OR { 1238}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 1272}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE21")
      5.000     5.000     0.000 peak  1272 weight  0.10000E+01 volume  0.68700E+00 ppm1      8.457 ppm2      6.572
 ASSI { 1274}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
      6.000     6.000     0.000 peak  1274 weight  0.10000E+01 volume  0.29400E+00 ppm1      8.456 ppm2      0.527
 OR { 1274}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 1274}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 1278}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  1278 weight  0.10000E+01 volume  0.12200E+00 ppm1      8.456 ppm2      4.344
 OR { 1278}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 1273}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
      5.000     5.000     0.000 peak  1273 weight  0.10000E+01 volume  0.58200E+00 ppm1      8.457 ppm2      4.149
 OR { 1273}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
 ASSI { 1275}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  1275 weight  0.10000E+01 volume  0.27200E+00 ppm1      8.457 ppm2      6.414
 ASSI { 1279}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG11")
      6.000     6.000     0.000 peak  1279 weight  0.10000E+01 volume  0.14200E+00 ppm1      8.458 ppm2      1.322
 ASSI { 1277}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "38  " and name "HG2 ")
      6.000     6.000     0.000 peak  1277 weight  0.10000E+01 volume  0.21500E+00 ppm1      8.457 ppm2      1.591
 OR { 1277}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 1277}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 1277}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 1277}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 1277}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 1277}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 1277}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 1268}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
      5.000     5.000     0.000 peak  1268 weight  0.10000E+01 volume  0.15370E+01 ppm1      8.457 ppm2      2.415
 ASSI { 1237}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
      5.000     5.000     0.000 peak  1237 weight  0.10000E+01 volume  0.10280E+01 ppm1      7.881 ppm2      2.000
 ASSI { 1242}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
      6.000     6.000     0.000 peak  1242 weight  0.10000E+01 volume  0.20500E+00 ppm1      7.880 ppm2      2.244
 OR { 1242}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 1242}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 1242}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HG1 ")
 ASSI { 1235}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
      5.000     5.000     0.000 peak  1235 weight  0.10000E+01 volume  0.10250E+01 ppm1      7.881 ppm2      4.154
 OR { 1235}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB2 ")
 ASSI { 1267}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
      3.300     3.300     0.000 peak  1267 weight  0.10000E+01 volume  0.22260E+01 ppm1      8.456 ppm2      1.910
 ASSI { 1234}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
      2.700     2.700     0.000 peak  1234 weight  0.10000E+01 volume  0.41740E+01 ppm1      7.881 ppm2      1.629
 OR { 1234}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 1234}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 1234}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB2 ")
 ASSI { 1239}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  1239 weight  0.10000E+01 volume  0.33600E+00 ppm1      7.880 ppm2      1.400
 ASSI { 1269}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  1269 weight  0.10000E+01 volume  0.10920E+01 ppm1      8.457 ppm2      7.875
 OR { 1269}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 1241}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  1241 weight  0.10000E+01 volume  0.39000E+00 ppm1      7.880 ppm2      8.159
 OR { 1241}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
 OR { 1241}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
 ASSI { 1236}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  1236 weight  0.10000E+01 volume  0.92700E+00 ppm1      7.880 ppm2      8.936
 ASSI {  911}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak   911 weight  0.10000E+01 volume  0.13700E+00 ppm1      8.905 ppm2      2.494
 ASSI {  913}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "63  " and name "HA  ")
      6.000     6.000     0.000 peak   913 weight  0.10000E+01 volume  0.11200E+00 ppm1      8.905 ppm2      3.936
 ASSI {  909}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HB2 ")
      5.000     5.000     0.000 peak   909 weight  0.10000E+01 volume  0.75700E+00 ppm1      8.906 ppm2      1.651
 ASSI {  907}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HB1 ")
      5.000     5.000     0.000 peak   907 weight  0.10000E+01 volume  0.19810E+01 ppm1      8.906 ppm2      1.913
 OR {  907}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "63  " and name "HB1 ")
 ASSI {  906}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HA  ")
      3.300     3.300     0.000 peak   906 weight  0.10000E+01 volume  0.37870E+01 ppm1      8.906 ppm2      4.175
 ASSI {  916}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "3   " and name "HN  ")
      6.000     6.000     0.000 peak   916 weight  0.10000E+01 volume  0.82000E-01 ppm1      8.908 ppm2      8.592
 ASSI {  910}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HG1 ")
      5.000     5.000     0.000 peak   910 weight  0.10000E+01 volume  0.52300E+00 ppm1      8.906 ppm2      2.294
 ASSI {  914}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      6.000     6.000     0.000 peak   914 weight  0.10000E+01 volume  0.12100E+00 ppm1      8.904 ppm2      9.298
 ASSI { 1524}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      6.000     6.000     0.000 peak  1524 weight  0.10000E+01 volume  0.16700E+00 ppm1      8.291 ppm2      8.535
 ASSI { 1523}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
      6.000     6.000     0.000 peak  1523 weight  0.10000E+01 volume  0.10800E+00 ppm1      8.295 ppm2      0.821
 OR { 1523}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 1523}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 1519}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
      5.000     5.000     0.000 peak  1519 weight  0.10000E+01 volume  0.45700E+00 ppm1      8.294 ppm2      1.061
 OR { 1519}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 1519}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 1518}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB1 ")
      5.000     5.000     0.000 peak  1518 weight  0.10000E+01 volume  0.48600E+00 ppm1      8.294 ppm2      1.222
 ASSI { 1513}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak  1513 weight  0.10000E+01 volume  0.15790E+01 ppm1      8.294 ppm2      1.922
 ASSI { 1512}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      3.300     3.300     0.000 peak  1512 weight  0.10000E+01 volume  0.38030E+01 ppm1      8.294 ppm2      3.822
 ASSI { 1515}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  1515 weight  0.10000E+01 volume  0.65700E+00 ppm1      8.293 ppm2      4.593
 ASSI { 1514}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE2 ")
      5.000     5.000     0.000 peak  1514 weight  0.10000E+01 volume  0.65000E+00 ppm1      8.293 ppm2      6.859
 OR { 1514}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 1516}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak  1516 weight  0.10000E+01 volume  0.78300E+00 ppm1      8.294 ppm2      2.221
 ASSI { 1517}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HG1 ")
      5.000     5.000     0.000 peak  1517 weight  0.10000E+01 volume  0.79800E+00 ppm1      8.294 ppm2      2.421
 OR { 1517}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 1522}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
      6.000     6.000     0.000 peak  1522 weight  0.10000E+01 volume  0.17600E+00 ppm1      8.296 ppm2      4.797
 OR { 1522}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 1522}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 1521}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  1521 weight  0.10000E+01 volume  0.15600E+00 ppm1      8.293 ppm2      0.137
 OR { 1521}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD22")
 ASSI { 1520}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB2 ")
      6.000     6.000     0.000 peak  1520 weight  0.10000E+01 volume  0.19500E+00 ppm1      8.294 ppm2      1.543
 ASSI { 1671}
     (segid "    " and resid "62  " and name "HE21")
     (segid "    " and resid "60  " and name "HB1 ")
      6.000     6.000     0.000 peak  1671 weight  0.10000E+01 volume  0.32000E-01 ppm1      7.271 ppm2      3.292
 ASSI { 1669}
     (segid "    " and resid "62  " and name "HE21")
     (segid "    " and resid "62  " and name "HE22")
      2.700     2.700     0.000 peak  1669 weight  0.10000E+01 volume  0.14426E+02 ppm1      7.272 ppm2      6.796
 ASSI { 1670}
     (segid "    " and resid "62  " and name "HE21")
     (segid "    " and resid "62  " and name "HG1 ")
      5.000     5.000     0.000 peak  1670 weight  0.10000E+01 volume  0.36200E+00 ppm1      7.271 ppm2      2.295
 OR { 1670}
     (segid "    " and resid "62  " and name "HE21")
     (segid "    " and resid "62  " and name "HG2 ")
 ASSI { 1674}
     (segid "    " and resid "62  " and name "HE22")
     (segid "    " and resid "62  " and name "HG2 ")
      6.000     6.000     0.000 peak  1674 weight  0.10000E+01 volume  0.16300E+00 ppm1      6.798 ppm2      2.300
 OR { 1674}
     (segid "    " and resid "62  " and name "HE22")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 1674}
     (segid "    " and resid "62  " and name "HE22")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 1672}
     (segid "    " and resid "62  " and name "HE21")
     (segid "    " and resid "60  " and name "HA  ")
      6.000     6.000     0.000 peak  1672 weight  0.10000E+01 volume  0.36000E-01 ppm1      7.271 ppm2      4.365
 ASSI { 1143}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
      6.000     6.000     0.000 peak  1143 weight  0.10000E+01 volume  0.11900E+00 ppm1      7.887 ppm2      2.326
 OR { 1143}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 1143}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HG1 ")
 ASSI { 1130}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  1130 weight  0.10000E+01 volume  0.14910E+01 ppm1      7.888 ppm2      7.071
 ASSI { 1135}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD13")
      5.000     5.000     0.000 peak  1135 weight  0.10000E+01 volume  0.36700E+00 ppm1      7.888 ppm2      0.386
 OR { 1135}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 1135}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 1136}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB1 ")
      5.000     5.000     0.000 peak  1136 weight  0.10000E+01 volume  0.69600E+00 ppm1      7.889 ppm2      2.104
 OR { 1136}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB  ")
 ASSI { 1127}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
      3.300     3.300     0.000 peak  1127 weight  0.10000E+01 volume  0.26980E+01 ppm1      7.888 ppm2      2.901
 ASSI { 1139}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  1139 weight  0.10000E+01 volume  0.30100E+00 ppm1      7.888 ppm2      4.013
 OR { 1139}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HD1 ")
 ASSI { 1142}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
      6.000     6.000     0.000 peak  1142 weight  0.10000E+01 volume  0.70000E-01 ppm1      7.888 ppm2      1.118
 OR { 1142}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 1142}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 ASSI { 1138}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  1138 weight  0.10000E+01 volume  0.52500E+00 ppm1      7.889 ppm2      8.513
 OR { 1138}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 1138}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 1133}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  1133 weight  0.10000E+01 volume  0.10760E+01 ppm1      7.888 ppm2      2.589
 OR { 1133}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 1134}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
      5.000     5.000     0.000 peak  1134 weight  0.10000E+01 volume  0.10750E+01 ppm1      7.889 ppm2      4.689
 ASSI { 1137}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HA  ")
      5.000     5.000     0.000 peak  1137 weight  0.10000E+01 volume  0.54500E+00 ppm1      7.889 ppm2      4.377
 OR { 1137}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 1141}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB1 ")
      6.000     6.000     0.000 peak  1141 weight  0.10000E+01 volume  0.87000E-01 ppm1      7.890 ppm2      3.758
 OR { 1141}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 1141}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HD2 ")
 ASSI { 1489}
     (segid "    " and resid "49  " and name "HE21")
     (segid "    " and resid "49  " and name "HB2 ")
      6.000     6.000     0.000 peak  1489 weight  0.10000E+01 volume  0.11800E+00 ppm1      7.610 ppm2      1.959
 OR { 1489}
     (segid "    " and resid "49  " and name "HE21")
     (segid "    " and resid "49  " and name "HB1 ")
 ASSI { 1487}
     (segid "    " and resid "49  " and name "HE21")
     (segid "    " and resid "49  " and name "HG2 ")
      5.000     5.000     0.000 peak  1487 weight  0.10000E+01 volume  0.93600E+00 ppm1      7.611 ppm2      2.256
 OR { 1487}
     (segid "    " and resid "49  " and name "HE21")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 1492}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "49  " and name "HG2 ")
      5.000     5.000     0.000 peak  1492 weight  0.10000E+01 volume  0.48800E+00 ppm1      6.887 ppm2      2.257
 OR { 1492}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 1491}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "49  " and name "HE21")
      2.700     2.700     0.000 peak  1491 weight  0.10000E+01 volume  0.11024E+02 ppm1      6.886 ppm2      7.609
 ASSI { 1496}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "42  " and name "HD1 ")
      6.000     6.000     0.000 peak  1496 weight  0.10000E+01 volume  0.58000E-01 ppm1      6.886 ppm2      3.090
 OR { 1496}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 1495}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "49  " and name "HB1 ")
      6.000     6.000     0.000 peak  1495 weight  0.10000E+01 volume  0.86000E-01 ppm1      6.884 ppm2      1.959
 OR { 1495}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "49  " and name "HB2 ")
 ASSI { 1494}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "72  " and name "HE  ")
      6.000     6.000     0.000 peak  1494 weight  0.10000E+01 volume  0.13500E+00 ppm1      6.887 ppm2      7.139
 ASSI { 1497}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "42  " and name "HG1 ")
      6.000     6.000     0.000 peak  1497 weight  0.10000E+01 volume  0.33000E-01 ppm1      6.887 ppm2      1.483
 OR { 1497}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "72  " and name "HG1 ")
 ASSI { 1490}
     (segid "    " and resid "49  " and name "HE21")
     (segid "    " and resid "42  " and name "HE  ")
      6.000     6.000     0.000 peak  1490 weight  0.10000E+01 volume  0.72000E-01 ppm1      7.613 ppm2      7.148
 ASSI { 1599}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
      5.000     5.000     0.000 peak  1599 weight  0.10000E+01 volume  0.10530E+01 ppm1      7.814 ppm2      2.330
 OR { 1599}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 1599}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 1602}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "57  " and name "HB1 ")
      6.000     6.000     0.000 peak  1602 weight  0.10000E+01 volume  0.27500E+00 ppm1      7.815 ppm2      3.788
 ASSI { 1605}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  1605 weight  0.10000E+01 volume  0.16800E+00 ppm1      7.813 ppm2      4.004
 OR { 1605}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 1597}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      5.000     5.000     0.000 peak  1597 weight  0.10000E+01 volume  0.12730E+01 ppm1      7.815 ppm2      4.321
 OR { 1597}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA  ")
 ASSI { 1768}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HG2 ")
      3.300     3.300     0.000 peak  1768 weight  0.10000E+01 volume  0.25570E+01 ppm1      8.522 ppm2      1.525
 OR { 1768}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 1768}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB2 ")
 ASSI { 1770}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB1 ")
      5.000     5.000     0.000 peak  1770 weight  0.10000E+01 volume  0.12660E+01 ppm1      8.522 ppm2      1.737
 OR { 1770}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB1 ")
 ASSI { 1596}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB2 ")
      3.300     3.300     0.000 peak  1596 weight  0.10000E+01 volume  0.21050E+01 ppm1      7.815 ppm2      3.000
 ASSI { 1771}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HA  ")
      5.000     5.000     0.000 peak  1771 weight  0.10000E+01 volume  0.87800E+00 ppm1      8.522 ppm2      4.210
 ASSI { 1604}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      6.000     6.000     0.000 peak  1604 weight  0.10000E+01 volume  0.17600E+00 ppm1      7.812 ppm2      8.132
 ASSI { 1600}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  1600 weight  0.10000E+01 volume  0.96700E+00 ppm1      7.814 ppm2      8.617
 ASSI { 1774}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB1 ")
      6.000     6.000     0.000 peak  1774 weight  0.10000E+01 volume  0.20400E+00 ppm1      8.523 ppm2      2.433
 ASSI { 1607}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD2 ")
      6.000     6.000     0.000 peak  1607 weight  0.10000E+01 volume  0.15200E+00 ppm1      7.814 ppm2      7.268
 OR { 1607}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 1772}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG12")
      5.000     5.000     0.000 peak  1772 weight  0.10000E+01 volume  0.58600E+00 ppm1      8.522 ppm2      0.932
 OR { 1772}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 1772}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 1772}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 1772}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD11")
 ASSI { 1606}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
      6.000     6.000     0.000 peak  1606 weight  0.10000E+01 volume  0.14400E+00 ppm1      7.814 ppm2      1.118
 OR { 1606}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 1606}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 OR { 1606}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB  ")
 ASSI { 1775}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD1 ")
      6.000     6.000     0.000 peak  1775 weight  0.10000E+01 volume  0.11600E+00 ppm1      8.523 ppm2      3.106
 OR { 1775}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 1773}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      6.000     6.000     0.000 peak  1773 weight  0.10000E+01 volume  0.27300E+00 ppm1      8.522 ppm2      4.455
 OR { 1773}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI {  993}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG  ")
      6.000     6.000     0.000 peak   993 weight  0.10000E+01 volume  0.19800E+00 ppm1      9.475 ppm2      1.313
 OR {  993}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB2 ")
 ASSI {  989}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HG21")
      5.000     5.000     0.000 peak   989 weight  0.10000E+01 volume  0.32500E+00 ppm1      9.476 ppm2      0.904
 OR {  989}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HG23")
 OR {  989}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
 ASSI {  983}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HB1 ")
      5.000     5.000     0.000 peak   983 weight  0.10000E+01 volume  0.13950E+01 ppm1      9.476 ppm2      1.898
 ASSI {  982}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "4   " and name "HA  ")
      2.700     2.700     0.000 peak   982 weight  0.10000E+01 volume  0.43700E+01 ppm1      9.476 ppm2      5.441
 OR {  982}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI {  986}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      5.000     5.000     0.000 peak   986 weight  0.10000E+01 volume  0.70700E+00 ppm1      9.479 ppm2      9.272
 ASSI {  988}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB2 ")
      6.000     6.000     0.000 peak   988 weight  0.10000E+01 volume  0.22700E+00 ppm1      9.476 ppm2      3.110
 ASSI {  994}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HB  ")
      6.000     6.000     0.000 peak   994 weight  0.10000E+01 volume  0.13200E+00 ppm1      9.479 ppm2      2.134
 ASSI {  984}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HB2 ")
      5.000     5.000     0.000 peak   984 weight  0.10000E+01 volume  0.12100E+01 ppm1      9.476 ppm2      1.111
 ASSI {  985}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB1 ")
      5.000     5.000     0.000 peak   985 weight  0.10000E+01 volume  0.50400E+00 ppm1      9.476 ppm2      2.807
 ASSI {  991}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HD22")
      6.000     6.000     0.000 peak   991 weight  0.10000E+01 volume  0.24700E+00 ppm1      9.476 ppm2      0.656
 OR {  991}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "15  " and name "HD11")
 OR {  991}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "15  " and name "HD13")
 OR {  991}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HD21")
 OR {  991}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HD23")
 OR {  991}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "67  " and name "HD11")
 OR {  991}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "67  " and name "HD12")
 OR {  991}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "67  " and name "HD13")
 ASSI {  990}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "4   " and name "HD1 ")
      6.000     6.000     0.000 peak   990 weight  0.10000E+01 volume  0.17700E+00 ppm1      9.479 ppm2      7.042
 OR {  990}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI {  987}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      5.000     5.000     0.000 peak   987 weight  0.10000E+01 volume  0.32000E+00 ppm1      9.476 ppm2      5.114
 ASSI {  992}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
      6.000     6.000     0.000 peak   992 weight  0.10000E+01 volume  0.22400E+00 ppm1      9.479 ppm2      8.852
 OR {  992}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "6   " and name "HN  ")
 ASSI { 1748}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "6   " and name "HN  ")
      5.000     5.000     0.000 peak  1748 weight  0.10000E+01 volume  0.33500E+00 ppm1      8.273 ppm2      8.876
 OR { 1748}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "8   " and name "HN  ")
 ASSI { 1746}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "5   " and name "HD12")
      5.000     5.000     0.000 peak  1746 weight  0.10000E+01 volume  0.76300E+00 ppm1      8.273 ppm2      0.753
 OR { 1746}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "5   " and name "HD13")
 OR { 1746}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "5   " and name "HD11")
 ASSI { 1747}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "7   " and name "HA  ")
      5.000     5.000     0.000 peak  1747 weight  0.10000E+01 volume  0.33500E+00 ppm1      8.272 ppm2      4.703
 ASSI { 1744}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak  1744 weight  0.10000E+01 volume  0.13520E+01 ppm1      8.273 ppm2      1.251
 ASSI { 1742}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "68  " and name "HA  ")
      2.700     2.700     0.000 peak  1742 weight  0.10000E+01 volume  0.44080E+01 ppm1      8.273 ppm2      4.990
 ASSI { 1753}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "7   " and name "HN  ")
      6.000     6.000     0.000 peak  1753 weight  0.10000E+01 volume  0.42000E-01 ppm1      8.270 ppm2      8.632
 ASSI { 1743}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
      5.000     5.000     0.000 peak  1743 weight  0.10000E+01 volume  0.18630E+01 ppm1      8.273 ppm2      1.829
 ASSI { 1745}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB1 ")
      5.000     5.000     0.000 peak  1745 weight  0.10000E+01 volume  0.74600E+00 ppm1      8.273 ppm2      3.090
 OR { 1745}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 1750}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "68  " and name "HN  ")
      6.000     6.000     0.000 peak  1750 weight  0.10000E+01 volume  0.71000E-01 ppm1      8.272 ppm2      9.378
 ASSI { 1749}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "70  " and name "HN  ")
      6.000     6.000     0.000 peak  1749 weight  0.10000E+01 volume  0.12400E+00 ppm1      8.273 ppm2      9.125
 OR { 1749}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 1783}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD13")
      6.000     6.000     0.000 peak  1783 weight  0.10000E+01 volume  0.25800E+00 ppm1      8.342 ppm2      0.900
 OR { 1783}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 1783}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 1783}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 1783}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 1783}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG11")
 ASSI { 1780}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HG  ")
      3.300     3.300     0.000 peak  1780 weight  0.10000E+01 volume  0.25640E+01 ppm1      8.341 ppm2      1.610
 OR { 1780}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 1780}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 1784}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "72  " and name "HD1 ")
      6.000     6.000     0.000 peak  1784 weight  0.10000E+01 volume  0.12700E+00 ppm1      8.343 ppm2      3.100
 OR { 1784}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "72  " and name "HD2 ")
 ASSI { 1779}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "72  " and name "HA  ")
      3.300     3.300     0.000 peak  1779 weight  0.10000E+01 volume  0.32890E+01 ppm1      8.341 ppm2      4.207
 ASSI { 1781}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HA  ")
      5.000     5.000     0.000 peak  1781 weight  0.10000E+01 volume  0.58300E+00 ppm1      8.342 ppm2      4.398
 ASSI { 1416}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "72  " and name "HD2 ")
      6.000     6.000     0.000 peak  1416 weight  0.10000E+01 volume  0.94000E-01 ppm1      8.409 ppm2      3.085
 OR { 1416}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 1416}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 1416}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 1415}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  1415 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.412 ppm2      5.066
 ASSI { 1413}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  1413 weight  0.10000E+01 volume  0.71000E+00 ppm1      8.412 ppm2      4.429
 ASSI { 1412}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     5.000     0.000 peak  1412 weight  0.10000E+01 volume  0.10840E+01 ppm1      8.413 ppm2      1.713
 ASSI { 1410}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
      5.000     5.000     0.000 peak  1410 weight  0.10000E+01 volume  0.13160E+01 ppm1      8.412 ppm2      0.824
 OR { 1410}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 1410}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 ASSI { 1417}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  1417 weight  0.10000E+01 volume  0.14200E+00 ppm1      8.414 ppm2      1.305
 OR { 1417}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 1411}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak  1411 weight  0.10000E+01 volume  0.12420E+01 ppm1      8.412 ppm2      1.501
 OR { 1411}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI { 1414}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  1414 weight  0.10000E+01 volume  0.45400E+00 ppm1      8.412 ppm2      9.139
 ASSI { 1409}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
      3.300     3.300     0.000 peak  1409 weight  0.10000E+01 volume  0.36350E+01 ppm1      8.412 ppm2      4.088
 ASSI { 1420}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  1420 weight  0.10000E+01 volume  0.61000E-01 ppm1      8.415 ppm2      7.341
 ASSI { 1419}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  1419 weight  0.10000E+01 volume  0.99000E-01 ppm1      8.412 ppm2      8.889
 ASSI { 1353}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HG2 ")
      6.000     6.000     0.000 peak  1353 weight  0.10000E+01 volume  0.67000E-01 ppm1      8.536 ppm2      1.622
 ASSI { 1351}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     5.000     0.000 peak  1351 weight  0.10000E+01 volume  0.42900E+00 ppm1      8.536 ppm2      2.265
 ASSI { 1350}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     6.000     0.000 peak  1350 weight  0.10000E+01 volume  0.24900E+00 ppm1      8.535 ppm2      4.058
 ASSI { 1345}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB2 ")
      5.000     5.000     0.000 peak  1345 weight  0.10000E+01 volume  0.16040E+01 ppm1      8.535 ppm2      2.699
 ASSI { 1349}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD2 ")
      5.000     5.000     0.000 peak  1349 weight  0.10000E+01 volume  0.58300E+00 ppm1      8.535 ppm2      3.723
 ASSI { 1347}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     5.000     0.000 peak  1347 weight  0.10000E+01 volume  0.14540E+01 ppm1      8.536 ppm2      2.003
 ASSI { 1348}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HA  ")
      5.000     5.000     0.000 peak  1348 weight  0.10000E+01 volume  0.10530E+01 ppm1      8.535 ppm2      4.391
 ASSI { 1352}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  1352 weight  0.10000E+01 volume  0.12900E+00 ppm1      8.536 ppm2      7.345
 ASSI { 1586}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB  ")
      5.000     5.000     0.000 peak  1586 weight  0.10000E+01 volume  0.98100E+00 ppm1      8.618 ppm2      4.488
 ASSI { 1594}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD22")
      6.000     6.000     0.000 peak  1594 weight  0.10000E+01 volume  0.17700E+00 ppm1      8.617 ppm2      0.347
 OR { 1594}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 1594}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 1594}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 1594}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 1594}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 1594}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG22")
 OR { 1594}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG21")
 ASSI { 1590}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  1590 weight  0.10000E+01 volume  0.54300E+00 ppm1      8.619 ppm2      1.092
 OR { 1590}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB  ")
 ASSI { 1595}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  1595 weight  0.10000E+01 volume  0.10600E+00 ppm1      8.617 ppm2      1.638
 ASSI { 1591}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
      6.000     6.000     0.000 peak  1591 weight  0.10000E+01 volume  0.14200E+00 ppm1      8.617 ppm2      2.332
 ASSI { 1584}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "57  " and name "HB1 ")
      5.000     5.000     0.000 peak  1584 weight  0.10000E+01 volume  0.15210E+01 ppm1      8.618 ppm2      3.757
 ASSI { 1589}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  1589 weight  0.10000E+01 volume  0.95400E+00 ppm1      8.618 ppm2      3.961
 ASSI { 1585}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA  ")
      5.000     5.000     0.000 peak  1585 weight  0.10000E+01 volume  0.12080E+01 ppm1      8.618 ppm2      4.297
 ASSI { 1588}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  1588 weight  0.10000E+01 volume  0.88200E+00 ppm1      8.618 ppm2      1.868
 ASSI { 1593}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      6.000     6.000     0.000 peak  1593 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.619 ppm2      5.241
 ASSI { 1066}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "5   " and name "HB1 ")
      5.000     5.000     0.000 peak  1066 weight  0.10000E+01 volume  0.30000E+00 ppm1      9.278 ppm2      1.897
 ASSI { 1061}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG21")
      5.000     5.000     0.000 peak  1061 weight  0.10000E+01 volume  0.14690E+01 ppm1      9.279 ppm2      0.892
 OR { 1061}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 1061}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG22")
 ASSI { 1064}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG23")
      5.000     5.000     0.000 peak  1064 weight  0.10000E+01 volume  0.10980E+01 ppm1      9.278 ppm2      1.070
 OR { 1064}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 1064}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG22")
 ASSI { 1060}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HA  ")
      2.700     2.700     0.000 peak  1060 weight  0.10000E+01 volume  0.45430E+01 ppm1      9.279 ppm2      5.290
 ASSI { 1062}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HA  ")
      5.000     5.000     0.000 peak  1062 weight  0.10000E+01 volume  0.76600E+00 ppm1      9.279 ppm2      4.662
 ASSI { 1063}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB  ")
      5.000     5.000     0.000 peak  1063 weight  0.10000E+01 volume  0.76800E+00 ppm1      9.279 ppm2      2.148
 ASSI { 1067}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HN  ")
      6.000     6.000     0.000 peak  1067 weight  0.10000E+01 volume  0.24200E+00 ppm1      9.279 ppm2      8.591
 OR { 1067}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "14  " and name "HN  ")
 ASSI { 1068}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB  ")
      6.000     6.000     0.000 peak  1068 weight  0.10000E+01 volume  0.20000E+00 ppm1      9.281 ppm2      3.924
 ASSI { 1462}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA2 ")
      3.300     3.300     0.000 peak  1462 weight  0.10000E+01 volume  0.24890E+01 ppm1      8.072 ppm2      3.449
 ASSI { 1463}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      5.000     5.000     0.000 peak  1463 weight  0.10000E+01 volume  0.14360E+01 ppm1      8.072 ppm2      3.709
 ASSI { 1465}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA1 ")
      5.000     5.000     0.000 peak  1465 weight  0.10000E+01 volume  0.13490E+01 ppm1      8.071 ppm2      4.114
 ASSI { 1464}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
      5.000     5.000     0.000 peak  1464 weight  0.10000E+01 volume  0.13390E+01 ppm1      8.072 ppm2      0.677
 OR { 1464}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 1464}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 1467}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  1467 weight  0.10000E+01 volume  0.12000E+00 ppm1      8.073 ppm2      5.199
 ASSI { 1667}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG12")
      6.000     6.000     0.000 peak  1667 weight  0.10000E+01 volume  0.64000E-01 ppm1      7.734 ppm2      0.587
 OR { 1667}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 1667}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG11")
 ASSI { 1659}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB1 ")
      6.000     6.000     0.000 peak  1659 weight  0.10000E+01 volume  0.27400E+00 ppm1      7.736 ppm2      3.977
 OR { 1659}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 1663}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "45  " and name "HZ  ")
      6.000     6.000     0.000 peak  1663 weight  0.10000E+01 volume  0.13400E+00 ppm1      7.735 ppm2      7.467
 ASSI { 1662}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG11")
      6.000     6.000     0.000 peak  1662 weight  0.10000E+01 volume  0.16400E+00 ppm1      7.736 ppm2      1.051
 OR { 1662}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 1658}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak  1658 weight  0.10000E+01 volume  0.46200E+00 ppm1      7.735 ppm2      3.696
 ASSI { 1657}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HG2 ")
      5.000     5.000     0.000 peak  1657 weight  0.10000E+01 volume  0.83500E+00 ppm1      7.735 ppm2      2.300
 OR { 1657}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HG1 ")
 ASSI { 1654}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG23")
      5.000     5.000     0.000 peak  1654 weight  0.10000E+01 volume  0.10880E+01 ppm1      7.736 ppm2      0.331
 OR { 1654}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG22")
 OR { 1654}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG21")
 ASSI { 1653}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HA  ")
      3.300     3.300     0.000 peak  1653 weight  0.10000E+01 volume  0.39550E+01 ppm1      7.735 ppm2      3.186
 ASSI { 1656}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  1656 weight  0.10000E+01 volume  0.86500E+00 ppm1      7.734 ppm2      4.546
 ASSI { 1660}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG12")
      6.000     6.000     0.000 peak  1660 weight  0.10000E+01 volume  0.14100E+00 ppm1      7.735 ppm2     -0.409
 ASSI { 1655}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB2 ")
      5.000     5.000     0.000 peak  1655 weight  0.10000E+01 volume  0.10820E+01 ppm1      7.735 ppm2      1.830
 ASSI { 1666}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE1 ")
      6.000     6.000     0.000 peak  1666 weight  0.10000E+01 volume  0.50000E-01 ppm1      7.734 ppm2      1.490
 OR { 1666}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 1666}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 1666}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "63  " and name "HG1 ")
 ASSI { 1321}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      6.000     6.000     0.000 peak  1321 weight  0.10000E+01 volume  0.11100E+00 ppm1      8.813 ppm2      3.805
 ASSI { 1318}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak  1318 weight  0.10000E+01 volume  0.31600E+00 ppm1      8.813 ppm2      4.308
 OR { 1318}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 1319}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  1319 weight  0.10000E+01 volume  0.16100E+00 ppm1      8.812 ppm2      3.317
 ASSI { 1314}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB1 ")
      3.300     3.300     0.000 peak  1314 weight  0.10000E+01 volume  0.20110E+01 ppm1      8.813 ppm2      1.947
 ASSI { 1317}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak  1317 weight  0.10000E+01 volume  0.72700E+00 ppm1      8.813 ppm2      2.283
 OR { 1317}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "2   " and name "HG1 ")
 ASSI { 1320}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
      5.000     5.000     0.000 peak  1320 weight  0.10000E+01 volume  0.31300E+00 ppm1      8.814 ppm2      0.521
 OR { 1320}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 1320}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 1508}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
      6.000     6.000     0.000 peak  1508 weight  0.10000E+01 volume  0.16400E+00 ppm1      8.537 ppm2      0.774
 OR { 1508}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 1508}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 1508}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 1508}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 1508}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 1508}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG22")
 ASSI { 1316}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  1316 weight  0.10000E+01 volume  0.85400E+00 ppm1      8.813 ppm2      4.497
 ASSI { 1509}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  1509 weight  0.10000E+01 volume  0.11700E+00 ppm1      8.536 ppm2      8.907
 ASSI { 1315}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB2 ")
      3.300     3.300     0.000 peak  1315 weight  0.10000E+01 volume  0.20380E+01 ppm1      8.814 ppm2      1.651
 ASSI { 1506}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  1506 weight  0.10000E+01 volume  0.31700E+00 ppm1      8.537 ppm2      1.737
 ASSI { 1505}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD22")
      5.000     5.000     0.000 peak  1505 weight  0.10000E+01 volume  0.33100E+00 ppm1      8.537 ppm2      0.144
 OR { 1505}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 1503}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD12")
      5.000     5.000     0.000 peak  1503 weight  0.10000E+01 volume  0.60100E+00 ppm1      8.537 ppm2      0.578
 OR { 1503}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 1503}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 1500}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG  ")
      5.000     5.000     0.000 peak  1500 weight  0.10000E+01 volume  0.19130E+01 ppm1      8.536 ppm2      1.174
 ASSI { 1504}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB1 ")
      5.000     5.000     0.000 peak  1504 weight  0.10000E+01 volume  0.52400E+00 ppm1      8.536 ppm2      1.972
 OR { 1504}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB2 ")
 ASSI { 1501}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG2 ")
      5.000     5.000     0.000 peak  1501 weight  0.10000E+01 volume  0.91500E+00 ppm1      8.536 ppm2      2.260
 OR { 1501}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 1502}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      5.000     5.000     0.000 peak  1502 weight  0.10000E+01 volume  0.77000E+00 ppm1      8.537 ppm2      3.828
 ASSI { 1498}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      2.700     2.700     0.000 peak  1498 weight  0.10000E+01 volume  0.46470E+01 ppm1      8.537 ppm2      4.892
 OR { 1498}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 1499}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     5.000     0.000 peak  1499 weight  0.10000E+01 volume  0.15800E+01 ppm1      8.536 ppm2      1.517
 ASSI { 1089}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "5   " and name "HN  ")
      6.000     6.000     0.000 peak  1089 weight  0.10000E+01 volume  0.63000E-01 ppm1      8.851 ppm2      9.471
 ASSI { 1082}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG21")
      5.000     5.000     0.000 peak  1082 weight  0.10000E+01 volume  0.94300E+00 ppm1      8.848 ppm2      1.134
 OR { 1082}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 1082}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG22")
 ASSI { 1079}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB2 ")
      5.000     5.000     0.000 peak  1079 weight  0.10000E+01 volume  0.19130E+01 ppm1      8.848 ppm2      1.683
 OR { 1079}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 1081}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HA  ")
      5.000     5.000     0.000 peak  1081 weight  0.10000E+01 volume  0.13580E+01 ppm1      8.850 ppm2      4.416
 ASSI { 1086}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG11")
      5.000     5.000     0.000 peak  1086 weight  0.10000E+01 volume  0.45200E+00 ppm1      8.849 ppm2      1.342
 ASSI { 1084}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB  ")
      5.000     5.000     0.000 peak  1084 weight  0.10000E+01 volume  0.48600E+00 ppm1      8.848 ppm2      4.029
 ASSI { 1087}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG13")
      5.000     5.000     0.000 peak  1087 weight  0.10000E+01 volume  0.40800E+00 ppm1      8.849 ppm2      0.936
 OR { 1087}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 1087}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG22")
 OR { 1087}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 1087}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 1087}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG12")
 OR { 1087}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1087}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 1087}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG22")
 OR { 1087}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG12")
 ASSI { 1078}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      2.700     2.700     0.000 peak  1078 weight  0.10000E+01 volume  0.44950E+01 ppm1      8.849 ppm2      5.107
 ASSI { 1085}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "4   " and name "HA  ")
      6.000     6.000     0.000 peak  1085 weight  0.10000E+01 volume  0.27100E+00 ppm1      8.849 ppm2      5.441
 ASSI { 1083}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG21")
      5.000     5.000     0.000 peak  1083 weight  0.10000E+01 volume  0.74100E+00 ppm1      8.849 ppm2      0.605
 OR { 1083}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG22")
 OR { 1083}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG23")
 ASSI { 1759}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB1 ")
      5.000     5.000     0.000 peak  1759 weight  0.10000E+01 volume  0.31500E+00 ppm1      9.132 ppm2      1.760
 OR { 1759}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB1 ")
 OR { 1759}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "44  " and name "HB  ")
 OR { 1759}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 1758}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  1758 weight  0.10000E+01 volume  0.23200E+00 ppm1      9.133 ppm2      5.347
 ASSI { 1752}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
      3.300     3.300     0.000 peak  1752 weight  0.10000E+01 volume  0.23900E+01 ppm1      9.132 ppm2      0.811
 OR { 1752}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 1752}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 1752}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 1752}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG23")
 ASSI { 1754}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HA  ")
      5.000     5.000     0.000 peak  1754 weight  0.10000E+01 volume  0.77900E+00 ppm1      9.133 ppm2      4.391
 OR { 1754}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 1751}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      2.700     2.700     0.000 peak  1751 weight  0.10000E+01 volume  0.45420E+01 ppm1      9.132 ppm2      5.068
 ASSI { 1757}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HG  ")
      5.000     5.000     0.000 peak  1757 weight  0.10000E+01 volume  0.46300E+00 ppm1      9.132 ppm2      1.446
 OR { 1757}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI { 1755}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB  ")
      5.000     5.000     0.000 peak  1755 weight  0.10000E+01 volume  0.82100E+00 ppm1      9.132 ppm2      2.082
 ASSI { 1432}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD1 ")
      6.000     6.000     0.000 peak  1432 weight  0.10000E+01 volume  0.92000E-01 ppm1      8.904 ppm2      3.087
 OR { 1432}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 1431}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  1431 weight  0.10000E+01 volume  0.27200E+00 ppm1      8.905 ppm2      1.280
 ASSI { 1430}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG2 ")
      6.000     6.000     0.000 peak  1430 weight  0.10000E+01 volume  0.21300E+00 ppm1      8.903 ppm2      2.257
 OR { 1430}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 1428}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak  1428 weight  0.10000E+01 volume  0.73100E+00 ppm1      8.904 ppm2      1.025
 OR { 1428}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 1428}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 1428}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 1425}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  1425 weight  0.10000E+01 volume  0.18470E+01 ppm1      8.903 ppm2      1.733
 OR { 1425}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB1 ")
 ASSI { 1424}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      2.700     2.700     0.000 peak  1424 weight  0.10000E+01 volume  0.43450E+01 ppm1      8.903 ppm2      4.426
 ASSI { 1427}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  1427 weight  0.10000E+01 volume  0.59000E+00 ppm1      8.903 ppm2      5.343
 ASSI { 1429}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
      5.000     5.000     0.000 peak  1429 weight  0.10000E+01 volume  0.68700E+00 ppm1      8.903 ppm2      0.775
 OR { 1429}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 1429}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 1429}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 1429}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 1426}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG  ")
      5.000     5.000     0.000 peak  1426 weight  0.10000E+01 volume  0.18010E+01 ppm1      8.903 ppm2      1.483
 OR { 1426}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI { 1740}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "6   " and name "HG2 ")
      6.000     6.000     0.000 peak  1740 weight  0.10000E+01 volume  0.88000E-01 ppm1      9.355 ppm2      1.233
 OR { 1740}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 1740}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG2 ")
 ASSI { 1732}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
      5.000     5.000     0.000 peak  1732 weight  0.10000E+01 volume  0.16180E+01 ppm1      9.356 ppm2      0.969
 OR { 1732}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 1732}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 1730}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA  ")
      3.300     3.300     0.000 peak  1730 weight  0.10000E+01 volume  0.32560E+01 ppm1      9.355 ppm2      4.710
 ASSI { 1736}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "68  " and name "HD2 ")
      5.000     5.000     0.000 peak  1736 weight  0.10000E+01 volume  0.30900E+00 ppm1      9.355 ppm2      7.079
 ASSI { 1734}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "68  " and name "HA  ")
      5.000     5.000     0.000 peak  1734 weight  0.10000E+01 volume  0.59600E+00 ppm1      9.355 ppm2      4.983
 ASSI { 1731}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
      3.300     3.300     0.000 peak  1731 weight  0.10000E+01 volume  0.22600E+01 ppm1      9.355 ppm2      3.101
 OR { 1731}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 1735}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HB  ")
      5.000     5.000     0.000 peak  1735 weight  0.10000E+01 volume  0.47200E+00 ppm1      9.355 ppm2      1.799
 ASSI { 1737}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD11")
      5.000     5.000     0.000 peak  1737 weight  0.10000E+01 volume  0.32900E+00 ppm1      9.355 ppm2      0.698
 OR { 1737}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 1737}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 1737}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 1737}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 1737}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 1737}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD13")
 ASSI { 1738}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  1738 weight  0.10000E+01 volume  0.16200E+00 ppm1      9.355 ppm2      5.246
 ASSI { 1739}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  1739 weight  0.10000E+01 volume  0.11200E+00 ppm1      9.356 ppm2      1.457
 ASSI { 1629}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  1629 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.136 ppm2      3.505
 ASSI { 1631}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
      6.000     6.000     0.000 peak  1631 weight  0.10000E+01 volume  0.35000E-01 ppm1      8.130 ppm2      0.360
 OR { 1631}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 1631}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 1631}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG21")
 ASSI { 1625}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      5.000     5.000     0.000 peak  1625 weight  0.10000E+01 volume  0.47200E+00 ppm1      8.132 ppm2      2.856
 ASSI { 1628}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB  ")
      6.000     6.000     0.000 peak  1628 weight  0.10000E+01 volume  0.13700E+00 ppm1      8.132 ppm2      1.085
 OR { 1628}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 1626}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB1 ")
      6.000     6.000     0.000 peak  1626 weight  0.10000E+01 volume  0.26100E+00 ppm1      8.132 ppm2      3.293
 ASSI { 1632}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
      6.000     6.000     0.000 peak  1632 weight  0.10000E+01 volume  0.44000E-01 ppm1      8.131 ppm2      2.326
 OR { 1632}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 1632}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 1632}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 1627}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  1627 weight  0.10000E+01 volume  0.19500E+00 ppm1      8.132 ppm2      2.617
 ASSI { 1621}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      2.700     2.700     0.000 peak  1621 weight  0.10000E+01 volume  0.41340E+01 ppm1      8.132 ppm2      4.370
 ASSI { 1398}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HD13")
      6.000     6.000     0.000 peak  1398 weight  0.10000E+01 volume  0.50000E-01 ppm1      6.564 ppm2      0.023
 OR { 1398}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HD12")
 OR { 1398}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 1388}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     6.000     0.000 peak  1388 weight  0.10000E+01 volume  0.27100E+00 ppm1      6.569 ppm2      4.069
 ASSI { 1393}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "36  " and name "HB  ")
      6.000     6.000     0.000 peak  1393 weight  0.10000E+01 volume  0.25100E+00 ppm1      6.568 ppm2      1.433
 OR { 1393}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 1403}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "69  " and name "HD13")
      6.000     6.000     0.000 peak  1403 weight  0.10000E+01 volume  0.28300E+00 ppm1      6.416 ppm2      0.877
 OR { 1403}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "69  " and name "HD12")
 OR { 1403}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "69  " and name "HD11")
 OR { 1403}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "36  " and name "HG23")
 OR { 1403}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "36  " and name "HG21")
 OR { 1403}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 1389}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  1389 weight  0.10000E+01 volume  0.39200E+00 ppm1      6.568 ppm2      1.599
 ASSI { 1405}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  1405 weight  0.10000E+01 volume  0.32900E+00 ppm1      6.417 ppm2      1.461
 OR { 1405}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 1408}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  1408 weight  0.10000E+01 volume  0.74000E-01 ppm1      6.416 ppm2      4.368
 ASSI { 1404}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HG23")
      6.000     6.000     0.000 peak  1404 weight  0.10000E+01 volume  0.20100E+00 ppm1      6.417 ppm2      0.515
 OR { 1404}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 1402}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "38  " and name "HG2 ")
      5.000     5.000     0.000 peak  1402 weight  0.10000E+01 volume  0.55900E+00 ppm1      6.417 ppm2      1.597
 OR { 1402}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 1402}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 1402}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI { 1401}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HB  ")
      5.000     5.000     0.000 peak  1401 weight  0.10000E+01 volume  0.53900E+00 ppm1      6.417 ppm2      1.954
 ASSI { 1400}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  1400 weight  0.10000E+01 volume  0.43200E+00 ppm1      6.417 ppm2      4.065
 ASSI { 1386}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  1386 weight  0.10000E+01 volume  0.90700E+00 ppm1      6.568 ppm2      1.975
 OR { 1386}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 1386}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 1395}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "31  " and name "HA  ")
      6.000     6.000     0.000 peak  1395 weight  0.10000E+01 volume  0.11000E+00 ppm1      6.568 ppm2      3.752
 OR { 1395}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 1392}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  1392 weight  0.10000E+01 volume  0.26800E+00 ppm1      6.568 ppm2      4.361
 ASSI { 1382}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "41  " and name "HE22")
      3.300     3.300     0.000 peak  1382 weight  0.10000E+01 volume  0.33620E+01 ppm1      6.568 ppm2      6.407
 ASSI { 1387}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  1387 weight  0.10000E+01 volume  0.38500E+00 ppm1      6.568 ppm2      2.486
 ASSI { 1399}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  1399 weight  0.10000E+01 volume  0.76600E+00 ppm1      6.417 ppm2      2.489
 ASSI { 1407}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "31  " and name "HA  ")
      6.000     6.000     0.000 peak  1407 weight  0.10000E+01 volume  0.11300E+00 ppm1      6.417 ppm2      3.746
 ASSI { 1391}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HG23")
      6.000     6.000     0.000 peak  1391 weight  0.10000E+01 volume  0.29100E+00 ppm1      6.568 ppm2      0.518
 OR { 1391}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 1394}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "36  " and name "HG23")
      6.000     6.000     0.000 peak  1394 weight  0.10000E+01 volume  0.16400E+00 ppm1      6.570 ppm2      0.868
 OR { 1394}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "36  " and name "HG21")
 OR { 1394}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 1796}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HA2 ")
      6.000     6.000     0.000 peak  1796 weight  0.10000E+01 volume  0.17700E+00 ppm1      7.945 ppm2      3.719
 ASSI { 1797}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA2 ")
      6.000     6.000     0.000 peak  1797 weight  0.10000E+01 volume  0.12400E+00 ppm1      7.944 ppm2      3.973
 OR { 1797}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA1 ")
 ASSI { 1798}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HN  ")
      6.000     6.000     0.000 peak  1798 weight  0.10000E+01 volume  0.15300E+00 ppm1      7.944 ppm2      8.475
 ASSI { 1122}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB1 ")
      5.000     5.000     0.000 peak  1122 weight  0.10000E+01 volume  0.12980E+01 ppm1      7.069 ppm2      2.080
 ASSI { 1124}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB2 ")
      5.000     5.000     0.000 peak  1124 weight  0.10000E+01 volume  0.54800E+00 ppm1      7.069 ppm2      1.656
 OR { 1124}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG  ")
 ASSI { 1125}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  1125 weight  0.10000E+01 volume  0.78100E+00 ppm1      7.070 ppm2      4.029
 OR { 1125}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HD1 ")
 ASSI { 1126}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
      6.000     6.000     0.000 peak  1126 weight  0.10000E+01 volume  0.26900E+00 ppm1      7.071 ppm2      2.329
 ASSI { 1121}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB1 ")
      5.000     5.000     0.000 peak  1121 weight  0.10000E+01 volume  0.10810E+01 ppm1      7.069 ppm2      3.764
 OR { 1121}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HD2 ")
 ASSI { 1131}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
      6.000     6.000     0.000 peak  1131 weight  0.10000E+01 volume  0.48000E-01 ppm1      7.071 ppm2      8.520
 OR { 1131}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
 ASSI { 1123}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HA  ")
      5.000     5.000     0.000 peak  1123 weight  0.10000E+01 volume  0.65100E+00 ppm1      7.069 ppm2      4.378
 ASSI { 1132}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  1132 weight  0.10000E+01 volume  0.47000E-01 ppm1      7.068 ppm2      2.903
 ASSI { 1128}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  1128 weight  0.10000E+01 volume  0.97000E-01 ppm1      7.070 ppm2      5.018
 ASSI { 1129}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
      6.000     6.000     0.000 peak  1129 weight  0.10000E+01 volume  0.88000E-01 ppm1      7.070 ppm2      4.712
 ASSI { 1003}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  1003 weight  0.10000E+01 volume  0.19900E+00 ppm1      8.876 ppm2      8.276
 ASSI {  997}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "68  " and name "HA  ")
      5.000     5.000     0.000 peak   997 weight  0.10000E+01 volume  0.61700E+00 ppm1      8.875 ppm2      4.981
 ASSI { 1000}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  1000 weight  0.10000E+01 volume  0.44100E+00 ppm1      8.874 ppm2      5.207
 ASSI {  999}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HD12")
      5.000     5.000     0.000 peak   999 weight  0.10000E+01 volume  0.47000E+00 ppm1      8.875 ppm2      0.725
 OR {  999}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HD11")
 OR {  999}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HD13")
 ASSI { 1004}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      6.000     6.000     0.000 peak  1004 weight  0.10000E+01 volume  0.21300E+00 ppm1      8.875 ppm2      9.447
 OR { 1004}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HN  ")
 ASSI {  998}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     5.000     0.000 peak   998 weight  0.10000E+01 volume  0.60400E+00 ppm1      8.875 ppm2      1.638
 ASSI { 1005}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "68  " and name "HB1 ")
      6.000     6.000     0.000 peak  1005 weight  0.10000E+01 volume  0.53000E-01 ppm1      8.876 ppm2      3.099
 OR { 1005}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 1005}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB2 ")
 ASSI { 1001}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG23")
      6.000     6.000     0.000 peak  1001 weight  0.10000E+01 volume  0.29800E+00 ppm1      8.874 ppm2      0.943
 OR { 1001}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 1001}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 1001}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 1001}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 1001}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 1001}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 ASSI {  996}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB2 ")
      5.000     5.000     0.000 peak   996 weight  0.10000E+01 volume  0.10440E+01 ppm1      8.875 ppm2      1.325
 OR {  996}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG  ")
 ASSI {  995}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HA  ")
      3.300     3.300     0.000 peak   995 weight  0.10000E+01 volume  0.25200E+01 ppm1      8.875 ppm2      5.440
 ASSI { 1002}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HB1 ")
      6.000     6.000     0.000 peak  1002 weight  0.10000E+01 volume  0.20500E+00 ppm1      8.874 ppm2      1.875
 OR { 1002}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 1002}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 3345}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HG1 ")
      6.000     6.000     0.000 peak  3345 weight  0.10000E+01 volume -0.43000E-01 ppm1      0.809 ppm2      1.599
 OR { 3345}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HG1 ")
 OR { 3345}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HG1 ")
 ASSI { 1385}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HG22")
      2.700     2.700     0.000 peak  1385 weight  0.10000E+01 volume -0.53910E+01 ppm1      1.521 ppm2      0.366
 OR { 1385}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HG21")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HG22")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HG21")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HG23")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "17  " and name "HG23")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HG23")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HG23")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "17  " and name "HG23")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 1385}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "56  " and name "HD13")
 ASSI { 1981}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "1   " and name "HA  ")
      6.000     6.000     0.000 peak  1981 weight  0.10000E+01 volume -0.14900E+00 ppm1      1.520 ppm2      4.182
 OR { 1981}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 1981}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 1981}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 1981}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 2247}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "33  " and name "HE2 ")
      6.000     6.000     0.000 peak  2247 weight  0.10000E+01 volume -0.27000E+00 ppm1      0.888 ppm2      3.101
 OR { 2247}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "33  " and name "HE1 ")
 OR { 2247}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "33  " and name "HE1 ")
 ASSI { 2216}
     (segid "    " and resid "13  " and name "HG11")
     (segid "    " and resid "13  " and name "HB  ")
      3.300     3.300     0.000 peak  2216 weight  0.10000E+01 volume -0.20790E+01 ppm1      0.967 ppm2      2.153
 OR { 2216}
     (segid "    " and resid "13  " and name "HG13")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2216}
     (segid "    " and resid "13  " and name "HG12")
     (segid "    " and resid "13  " and name "HB  ")
 ASSI { 4033}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HD2 ")
      5.000     5.000     0.000 peak  4033 weight  0.10000E+01 volume -0.98800E+00 ppm1      0.927 ppm2      1.520
 OR { 4033}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 4033}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HD2 ")
 OR { 4033}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HD2 ")
 OR { 4033}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 4033}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HD1 ")
 ASSI { 4043}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HE2 ")
      5.000     5.000     0.000 peak  4043 weight  0.10000E+01 volume -0.50500E+00 ppm1      0.941 ppm2      2.890
 OR { 4043}
     (segid "    " and resid "13  " and name "HG13")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 4043}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 4043}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 4043}
     (segid "    " and resid "13  " and name "HG11")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 4043}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 2214}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "70  " and name "HG21")
      2.700     2.700     0.000 peak  2214 weight  0.10000E+01 volume -0.60730E+01 ppm1      0.927 ppm2      0.809
 OR { 2214}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2214}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "70  " and name "HG23")
 OR { 2214}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "70  " and name "HG21")
 OR { 2214}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "70  " and name "HG23")
 OR { 2214}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2214}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2214}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "70  " and name "HG21")
 ASSI { 2231}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "70  " and name "HB  ")
      3.300     3.300     0.000 peak  2231 weight  0.10000E+01 volume -0.21050E+01 ppm1      0.927 ppm2      2.074
 OR { 2231}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "70  " and name "HB  ")
 OR { 2231}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "70  " and name "HB  ")
 ASSI { 4695}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HB2 ")
      5.000     5.000     0.000 peak  4695 weight  0.10000E+01 volume -0.79300E+00 ppm1      1.165 ppm2      1.635
 OR { 4695}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 4695}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 4695}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 4070}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "8   " and name "HD13")
      5.000     5.000     0.000 peak  4070 weight  0.10000E+01 volume -0.44100E+00 ppm1      0.861 ppm2      1.046
 OR { 4070}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "8   " and name "HD12")
 OR { 4070}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "8   " and name "HD12")
 OR { 4070}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "8   " and name "HD11")
 OR { 4070}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "8   " and name "HD12")
 ASSI { 2908}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HD2 ")
      2.700     2.700     0.000 peak  2908 weight  0.10000E+01 volume -0.47680E+01 ppm1      1.599 ppm2      1.705
 OR { 2908}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HD1 ")
 OR { 2908}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HD2 ")
 OR { 2908}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HD1 ")
 ASSI { 2700}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HD12")
      5.000     5.000     0.000 peak  2700 weight  0.10000E+01 volume -0.78200E+00 ppm1      1.547 ppm2      0.809
 OR { 2700}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2700}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2700}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 2701}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB2 ")
      5.000     5.000     0.000 peak  2701 weight  0.10000E+01 volume -0.63000E+00 ppm1      1.547 ppm2      2.021
 ASSI { 2702}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  2702 weight  0.10000E+01 volume -0.55200E+00 ppm1      1.573 ppm2      2.205
 ASSI { 3510}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  3510 weight  0.10000E+01 volume -0.20400E+00 ppm1      1.665 ppm2      2.917
 ASSI { 3503}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "71  " and name "HD22")
      5.000     5.000     0.000 peak  3503 weight  0.10000E+01 volume -0.15870E+01 ppm1      1.639 ppm2      0.888
 OR { 3503}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 3503}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 3503}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 3503}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 3503}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 3503}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 3503}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 3503}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 3503}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3503}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "36  " and name "HG23")
 ASSI { 3506}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HD2 ")
      5.000     5.000     0.000 peak  3506 weight  0.10000E+01 volume -0.77200E+00 ppm1      1.665 ppm2      3.180
 OR { 3506}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HD1 ")
 OR { 3506}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3506}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HD2 ")
 OR { 3506}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HD2 ")
 OR { 3506}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HD1 ")
 ASSI { 4106}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HA  ")
      6.000     6.000     0.000 peak  4106 weight  0.10000E+01 volume -0.29500E+00 ppm1      1.612 ppm2      4.392
 ASSI { 2300}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HG21")
      3.300     3.300     0.000 peak  2300 weight  0.10000E+01 volume -0.25250E+01 ppm1      1.375 ppm2      0.677
 OR { 2300}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HD11")
 OR { 2300}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HD11")
 OR { 2300}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HD12")
 OR { 2300}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HD13")
 OR { 2300}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HD12")
 OR { 2300}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HD13")
 OR { 2300}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HG22")
 OR { 2300}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HG23")
 ASSI { 4086}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HG2 ")
      3.300     3.300     0.000 peak  4086 weight  0.10000E+01 volume -0.32720E+01 ppm1      1.481 ppm2      1.283
 OR { 4086}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HG2 ")
 ASSI { 4085}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HB1 ")
      2.700     2.700     0.000 peak  4085 weight  0.10000E+01 volume -0.41020E+01 ppm1      1.507 ppm2      1.731
 OR { 4085}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HB1 ")
 OR { 4085}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HB1 ")
 OR { 4085}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HB1 ")
 ASSI { 3500}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HG1 ")
      3.300     3.300     0.000 peak  3500 weight  0.10000E+01 volume -0.37430E+01 ppm1      1.665 ppm2      1.916
 OR { 3500}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 3500}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 3500}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HB2 ")
 ASSI { 2298}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HG12")
      2.700     2.700     0.000 peak  2298 weight  0.10000E+01 volume -0.49470E+01 ppm1      1.389 ppm2      1.257
 OR { 2298}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "42  " and name "HG2 ")
 ASSI { 4094}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  4094 weight  0.10000E+01 volume -0.70300E+00 ppm1      1.481 ppm2      4.419
 ASSI { 2470}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HG2 ")
      3.300     3.300     0.000 peak  2470 weight  0.10000E+01 volume -0.35740E+01 ppm1      2.192 ppm2      1.626
 ASSI { 2468}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HG2 ")
      2.700     2.700     0.000 peak  2468 weight  0.10000E+01 volume -0.62980E+01 ppm1      2.192 ppm2      2.021
 OR { 2468}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 2468}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 2471}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  2471 weight  0.10000E+01 volume -0.13660E+01 ppm1      2.205 ppm2      2.337
 ASSI { 1838}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  1838 weight  0.10000E+01 volume -0.11070E+01 ppm1      1.889 ppm2      4.919
 ASSI { 1835}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HB2 ")
      2.700     2.700     0.000 peak  1835 weight  0.10000E+01 volume -0.62800E+01 ppm1      1.889 ppm2      1.678
 OR { 1835}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HD2 ")
 ASSI { 2364}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HG1 ")
      3.300     3.300     0.000 peak  2364 weight  0.10000E+01 volume -0.21990E+01 ppm1      1.955 ppm2      2.205
 ASSI { 1839}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  1839 weight  0.10000E+01 volume -0.12520E+01 ppm1      1.889 ppm2      1.573
 OR { 1839}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG1 ")
 ASSI { 1849}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "2   " and name "HB1 ")
      2.700     2.700     0.000 peak  1849 weight  0.10000E+01 volume -0.62840E+01 ppm1      1.665 ppm2      1.889
 OR { 1849}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 1849}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 1842}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HG1 ")
      5.000     5.000     0.000 peak  1842 weight  0.10000E+01 volume -0.67100E+00 ppm1      1.889 ppm2      2.311
 OR { 1842}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "2   " and name "HG1 ")
 ASSI { 1843}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HE2 ")
      5.000     5.000     0.000 peak  1843 weight  0.10000E+01 volume -0.37200E+00 ppm1      1.889 ppm2      3.075
 ASSI { 3790}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HE2 ")
      5.000     5.000     0.000 peak  3790 weight  0.10000E+01 volume -0.37900E+00 ppm1      1.692 ppm2      3.101
 OR { 3790}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 1847}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HE1 ")
      5.000     5.000     0.000 peak  1847 weight  0.10000E+01 volume -0.39600E+00 ppm1      1.876 ppm2      3.154
 ASSI { 1852}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HE1 ")
      5.000     5.000     0.000 peak  1852 weight  0.10000E+01 volume -0.37600E+00 ppm1      1.678 ppm2      3.180
 ASSI { 1848}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  1848 weight  0.10000E+01 volume -0.18100E+00 ppm1      1.876 ppm2      4.577
 ASSI { 1850}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  1850 weight  0.10000E+01 volume -0.74100E+00 ppm1      1.665 ppm2      4.788
 ASSI { 1840}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  1840 weight  0.10000E+01 volume -0.67500E+00 ppm1      1.902 ppm2      4.788
 ASSI { 3157}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HA  ")
      5.000     5.000     0.000 peak  3157 weight  0.10000E+01 volume -0.34800E+00 ppm1      1.797 ppm2      4.287
 ASSI { 3775}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HG2 ")
      5.000     5.000     0.000 peak  3775 weight  0.10000E+01 volume -0.49600E+00 ppm1      1.810 ppm2      1.415
 ASSI { 3774}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  3774 weight  0.10000E+01 volume -0.81000E+00 ppm1      1.797 ppm2      3.944
 ASSI { 3753}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HG1 ")
      5.000     5.000     0.000 peak  3753 weight  0.10000E+01 volume -0.11820E+01 ppm1      1.797 ppm2      1.547
 OR { 3753}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 3778}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HE1 ")
      6.000     6.000     0.000 peak  3778 weight  0.10000E+01 volume -0.11400E+00 ppm1      1.797 ppm2      2.996
 OR { 3778}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HE2 ")
 ASSI { 3464}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HB2 ")
      2.700     2.700     0.000 peak  3464 weight  0.10000E+01 volume -0.46500E+01 ppm1      2.192 ppm2      1.836
 OR { 3464}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 3464}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 3463}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HB1 ")
      2.700     2.700     0.000 peak  3463 weight  0.10000E+01 volume -0.52910E+01 ppm1      2.205 ppm2      1.916
 OR { 3463}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 3463}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 3772}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HG1 ")
      5.000     5.000     0.000 peak  3772 weight  0.10000E+01 volume -0.14330E+01 ppm1      1.823 ppm2      2.284
 OR { 3772}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HG2 ")
 ASSI { 3468}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HB2 ")
      2.700     2.700     0.000 peak  3468 weight  0.10000E+01 volume -0.48290E+01 ppm1      1.902 ppm2      2.205
 OR { 3468}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HB1 ")
 ASSI { 2560}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HE2 ")
      6.000     6.000     0.000 peak  2560 weight  0.10000E+01 volume -0.17100E+00 ppm1      2.271 ppm2      2.627
 ASSI { 2542}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HB2 ")
      3.300     3.300     0.000 peak  2542 weight  0.10000E+01 volume -0.38180E+01 ppm1      2.271 ppm2      1.652
 OR { 2542}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 2542}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 2549}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  2549 weight  0.10000E+01 volume -0.94600E+00 ppm1      2.284 ppm2      4.498
 ASSI { 2677}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD1 ")
      5.000     5.000     0.000 peak  2677 weight  0.10000E+01 volume -0.19460E+01 ppm1      2.008 ppm2      1.626
 OR { 2677}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 2677}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "2   " and name "HB2 ")
 OR { 2677}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 2685}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "14  " and name "HB  ")
      6.000     6.000     0.000 peak  2685 weight  0.10000E+01 volume -0.20000E+00 ppm1      2.008 ppm2      4.050
 OR { 2685}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 1863}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG12")
      3.300     3.300     0.000 peak  1863 weight  0.10000E+01 volume -0.31870E+01 ppm1      2.047 ppm2      0.572
 OR { 1863}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 1863}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG22")
 OR { 1863}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG21")
 OR { 1863}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG23")
 OR { 1863}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG13")
 ASSI { 3360}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HG2 ")
      5.000     5.000     0.000 peak  3360 weight  0.10000E+01 volume -0.14870E+01 ppm1      1.981 ppm2      1.599
 OR { 3360}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HG1 ")
 ASSI { 4026}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "61  " and name "HG23")
      6.000     6.000     0.000 peak  4026 weight  0.10000E+01 volume -0.17800E+00 ppm1      2.047 ppm2      0.361
 OR { 4026}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "61  " and name "HG21")
 OR { 4026}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 4026}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "17  " and name "HG23")
 OR { 4026}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "17  " and name "HG22")
 OR { 4026}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "61  " and name "HG22")
 OR { 4026}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 2067}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HG21")
      5.000     5.000     0.000 peak  2067 weight  0.10000E+01 volume -0.74600E+00 ppm1      2.901 ppm2      0.925
 OR { 2067}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 2067}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG22")
 OR { 2067}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HG12")
 OR { 2067}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 2067}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 2067}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 2067}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2067}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "66  " and name "HG22")
 ASSI { 2070}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG23")
      6.000     6.000     0.000 peak  2070 weight  0.10000E+01 volume -0.20500E+00 ppm1      2.877 ppm2      1.046
 OR { 2070}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2070}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 2070}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2070}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG22")
 ASSI { 2065}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HG1 ")
      5.000     5.000     0.000 peak  2065 weight  0.10000E+01 volume -0.72900E+00 ppm1      2.890 ppm2      1.389
 OR { 2065}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2065}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 2065}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HG1 ")
 ASSI { 2073}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HB1 ")
      6.000     6.000     0.000 peak  2073 weight  0.10000E+01 volume -0.12500E+00 ppm1      2.917 ppm2      1.784
 OR { 2073}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HB1 ")
 ASSI { 2071}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HA  ")
      6.000     6.000     0.000 peak  2071 weight  0.10000E+01 volume -0.20400E+00 ppm1      2.890 ppm2      4.340
 ASSI { 2066}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  2066 weight  0.10000E+01 volume -0.71600E+00 ppm1      2.901 ppm2      1.296
 OR { 2066}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HB2 ")
 OR { 2066}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG2 ")
 ASSI { 4686}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  4686 weight  0.10000E+01 volume -0.73500E+00 ppm1      2.901 ppm2      1.222
 OR { 4686}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HG2 ")
 OR { 4686}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HG2 ")
 OR { 4686}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG2 ")
 ASSI { 3369}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HG2 ")
      5.000     5.000     0.000 peak  3369 weight  0.10000E+01 volume -0.10820E+01 ppm1      3.180 ppm2      1.573
 OR { 3369}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HG1 ")
 OR { 3369}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HG2 ")
 OR { 3369}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HG1 ")
 OR { 3369}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 3368}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HD2 ")
      5.000     5.000     0.000 peak  3368 weight  0.10000E+01 volume -0.15960E+01 ppm1      3.180 ppm2      1.889
 OR { 3368}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 3368}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 3368}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 3368}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 3368}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 3374}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HG12")
      6.000     6.000     0.000 peak  3374 weight  0.10000E+01 volume -0.18600E+00 ppm1      3.167 ppm2      0.651
 OR { 3374}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HG13")
 ASSI { 2777}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "29  " and name "HD2 ")
      5.000     5.000     0.000 peak  2777 weight  0.10000E+01 volume -0.72800E+00 ppm1      3.075 ppm2      1.678
 ASSI { 2776}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "29  " and name "HG1 ")
      5.000     5.000     0.000 peak  2776 weight  0.10000E+01 volume -0.12110E+01 ppm1      3.088 ppm2      1.863
 OR { 2776}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2776}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 3358}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "29  " and name "HE2 ")
      2.700     2.700     0.000 peak  3358 weight  0.10000E+01 volume -0.83950E+01 ppm1      3.180 ppm2      3.075
 ASSI { 2780}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "29  " and name "HA  ")
      6.000     6.000     0.000 peak  2780 weight  0.10000E+01 volume -0.67000E-01 ppm1      3.088 ppm2      4.182
 ASSI { 4120}
     (segid "    " and resid "74  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HG2 ")
      5.000     5.000     0.000 peak  4120 weight  0.10000E+01 volume -0.78400E+00 ppm1      3.207 ppm2      1.652
 OR { 4120}
     (segid "    " and resid "74  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HG1 ")
 OR { 4120}
     (segid "    " and resid "74  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HG2 ")
 OR { 4120}
     (segid "    " and resid "74  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HG1 ")
 ASSI { 4093}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HA  ")
      5.000     5.000     0.000 peak  4093 weight  0.10000E+01 volume -0.42900E+00 ppm1      3.128 ppm2      4.234
 OR { 4093}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI { 3485}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "53  " and name "HA1 ")
      2.700     2.700     0.000 peak  3485 weight  0.10000E+01 volume -0.45080E+01 ppm1      3.931 ppm2      4.287
 ASSI { 3486}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "10  " and name "HA2 ")
      2.700     2.700     0.000 peak  3486 weight  0.10000E+01 volume -0.50810E+01 ppm1      4.300 ppm2      3.602
 ASSI { 2920}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HE1 ")
      6.000     6.000     0.000 peak  2920 weight  0.10000E+01 volume -0.12500E+00 ppm1      1.586 ppm2      6.869
 OR { 2920}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 2920}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 2679}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HG1 ")
      3.300     3.300     0.000 peak  2679 weight  0.10000E+01 volume -0.28640E+01 ppm1      1.573 ppm2      1.836
 OR { 2679}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2679}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2679}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HB1 ")
 ASSI { 2705}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HE2 ")
      5.000     5.000     0.000 peak  2705 weight  0.10000E+01 volume -0.31800E+00 ppm1      1.573 ppm2      3.075
 ASSI { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD23")
      6.000     6.000     0.000 peak  2942 weight  0.10000E+01 volume -0.28700E+00 ppm1      4.471 ppm2      0.914
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 2942}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD13")
 ASSI { 2940}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HB2 ")
      5.000     5.000     0.000 peak  2940 weight  0.10000E+01 volume -0.14180E+01 ppm1      4.485 ppm2      1.678
 OR { 2940}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 2940}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB1 ")
 ASSI { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD23")
      6.000     6.000     0.000 peak  2944 weight  0.10000E+01 volume -0.29600E+00 ppm1      4.471 ppm2      0.888
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 2944}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD13")
 ASSI { 2938}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB1 ")
      5.000     5.000     0.000 peak  2938 weight  0.10000E+01 volume -0.17260E+01 ppm1      4.471 ppm2      1.757
 OR { 2938}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HB2 ")
 ASSI { 2941}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD2 ")
      5.000     5.000     0.000 peak  2941 weight  0.10000E+01 volume -0.44500E+00 ppm1      4.471 ppm2      3.128
 OR { 2941}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD1 ")
 ASSI { 3114}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HG2 ")
      5.000     5.000     0.000 peak  3114 weight  0.10000E+01 volume -0.78800E+00 ppm1      4.432 ppm2      1.283
 ASSI { 3113}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB1 ")
      5.000     5.000     0.000 peak  3113 weight  0.10000E+01 volume -0.18120E+01 ppm1      4.432 ppm2      1.705
 OR { 3113}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB1 ")
 ASSI { 3115}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD2 ")
      5.000     5.000     0.000 peak  3115 weight  0.10000E+01 volume -0.82800E+00 ppm1      4.432 ppm2      3.101
 OR { 3115}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 3115}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 3122}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  3122 weight  0.10000E+01 volume -0.72000E-01 ppm1      4.432 ppm2      5.367
 ASSI { 5597}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG2 ")
      3.300     3.300     0.000 peak  5597 weight  0.10000E+01 volume -0.35340E+01 ppm1      4.428 ppm2      1.507
 OR { 5597}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 5597}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 5597}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB2 ")
 ASSI { 1964}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB  ")
      3.300     3.300     0.000 peak  1964 weight  0.10000E+01 volume -0.26010E+01 ppm1      4.379 ppm2      2.284
 ASSI { 2156}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2156 weight  0.10000E+01 volume -0.74000E-01 ppm1      4.366 ppm2      5.315
 ASSI { 2500}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "55  " and name "HA  ")
      6.000     6.000     0.000 peak  2500 weight  0.10000E+01 volume -0.13300E+00 ppm1      4.366 ppm2      5.262
 OR { 2500}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "55  " and name "HA  ")
 ASSI { 2498}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "55  " and name "HG23")
      5.000     5.000     0.000 peak  2498 weight  0.10000E+01 volume -0.10700E+01 ppm1      4.366 ppm2      1.151
 OR { 2498}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 2498}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "55  " and name "HG22")
 ASSI { 2502}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB2 ")
      6.000     6.000     0.000 peak  2502 weight  0.10000E+01 volume -0.13200E+00 ppm1      4.366 ppm2      2.021
 OR { 2502}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "19  " and name "HG2 ")
 ASSI { 3469}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HB2 ")
      2.700     2.700     0.000 peak  3469 weight  0.10000E+01 volume -0.43980E+01 ppm1      1.955 ppm2      1.810
 ASSI { 2294}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  2294 weight  0.10000E+01 volume -0.75000E-01 ppm1      4.379 ppm2      2.759
 ASSI { 2746}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  2746 weight  0.10000E+01 volume -0.99600E+00 ppm1      4.182 ppm2      1.573
 ASSI { 2747}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  2747 weight  0.10000E+01 volume -0.69300E+00 ppm1      4.182 ppm2      2.205
 ASSI { 2749}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "32  " and name "HB2 ")
      5.000     5.000     0.000 peak  2749 weight  0.10000E+01 volume -0.32900E+00 ppm1      4.182 ppm2      2.732
 ASSI { 3172}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG21")
      6.000     6.000     0.000 peak  3172 weight  0.10000E+01 volume  0.27000E-01 ppm1      1.586 ppm2      0.519
 OR { 3172}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3172}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG23")
 ASSI { 3169}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG23")
      6.000     6.000     0.000 peak  3169 weight  0.10000E+01 volume  0.99000E-01 ppm1      1.612 ppm2      0.888
 OR { 3169}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 3169}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3169}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 3162}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG21")
      6.000     6.000     0.000 peak  3162 weight  0.10000E+01 volume  0.11000E+00 ppm1      2.495 ppm2      0.888
 OR { 3162}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 3162}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3162}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HD13")
 ASSI { 3163}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     6.000     0.000 peak  3163 weight  0.10000E+01 volume  0.10300E+00 ppm1      2.495 ppm2      4.076
 OR { 3163}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 3170}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     6.000     0.000 peak  3170 weight  0.10000E+01 volume  0.12000E+00 ppm1      1.612 ppm2      4.103
 OR { 3170}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 2229}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HB1 ")
      6.000     6.000     0.000 peak  2229 weight  0.10000E+01 volume -0.10800E+00 ppm1      5.117 ppm2      2.811
 ASSI { 4044}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "4   " and name "HB1 ")
      5.000     5.000     0.000 peak  4044 weight  0.10000E+01 volume -0.38300E+00 ppm1      0.941 ppm2      2.811
 OR { 4044}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 4044}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "4   " and name "HB1 ")
 ASSI { 4027}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "4   " and name "HB2 ")
      5.000     5.000     0.000 peak  4027 weight  0.10000E+01 volume -0.15290E+01 ppm1      0.941 ppm2      3.101
 OR { 4027}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 4027}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "4   " and name "HB2 ")
 ASSI { 4804}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "4   " and name "HD2 ")
      5.000     5.000     0.000 peak  4804 weight  0.10000E+01 volume -0.32300E+00 ppm1      0.956 ppm2      7.058
 OR { 4804}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 4804}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 4804}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 4804}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 2957}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "5   " and name "HD23")
      5.000     5.000     0.000 peak  2957 weight  0.10000E+01 volume -0.52300E+00 ppm1      2.008 ppm2      0.677
 OR { 2957}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2957}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "5   " and name "HD23")
 OR { 2957}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2957}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2957}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2957}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "5   " and name "HD21")
 ASSI { 4676}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HA  ")
      6.000     6.000     0.000 peak  4676 weight  0.10000E+01 volume -0.11400E+00 ppm1      2.901 ppm2      5.194
 OR { 4676}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HA  ")
 ASSI { 4035}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     5.000     0.000 peak  4035 weight  0.10000E+01 volume -0.10110E+01 ppm1      0.941 ppm2      1.652
 OR { 4035}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 4035}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 2060}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     5.000     0.000 peak  2060 weight  0.10000E+01 volume -0.12000E+01 ppm1      2.930 ppm2      1.652
 OR { 2060}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 4028}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HB2 ")
      5.000     5.000     0.000 peak  4028 weight  0.10000E+01 volume -0.13720E+01 ppm1      0.941 ppm2      1.336
 OR { 4028}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HB2 ")
 OR { 4028}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HB2 ")
 ASSI { 2062}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HD2 ")
      5.000     5.000     0.000 peak  2062 weight  0.10000E+01 volume -0.11210E+01 ppm1      2.890 ppm2      1.547
 OR { 2062}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 2062}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 2062}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 2958}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "7   " and name "HG22")
      5.000     5.000     0.000 peak  2958 weight  0.10000E+01 volume -0.34500E+00 ppm1      2.008 ppm2      1.151
 OR { 2958}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2958}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "7   " and name "HG23")
 ASSI { 4678}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "10  " and name "HA2 ")
      6.000     6.000     0.000 peak  4678 weight  0.10000E+01 volume -0.25500E+00 ppm1      2.901 ppm2      3.597
 OR { 4678}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "10  " and name "HA2 ")
 ASSI { 2137}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "11  " and name "HB1 ")
      5.000     5.000     0.000 peak  2137 weight  0.10000E+01 volume -0.13630E+01 ppm1      4.353 ppm2      1.784
 ASSI { 2135}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "11  " and name "HB2 ")
      5.000     5.000     0.000 peak  2135 weight  0.10000E+01 volume -0.17790E+01 ppm1      4.353 ppm2      1.678
 ASSI { 2146}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "11  " and name "HG1 ")
      5.000     5.000     0.000 peak  2146 weight  0.10000E+01 volume -0.70900E+00 ppm1      4.353 ppm2      1.415
 ASSI { 2147}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  2147 weight  0.10000E+01 volume -0.57200E+00 ppm1      4.366 ppm2      1.283
 ASSI { 2959}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "13  " and name "HG23")
      5.000     5.000     0.000 peak  2959 weight  0.10000E+01 volume -0.46600E+00 ppm1      2.008 ppm2      0.888
 OR { 2959}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 2959}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "13  " and name "HG22")
 OR { 2959}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HG22")
 ASSI { 1851}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "14  " and name "HG22")
      5.000     5.000     0.000 peak  1851 weight  0.10000E+01 volume -0.52400E+00 ppm1      1.665 ppm2      1.099
 OR { 1851}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 1851}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "14  " and name "HG23")
 ASSI { 4129}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "14  " and name "HG23")
      6.000     6.000     0.000 peak  4129 weight  0.10000E+01 volume -0.23400E+00 ppm1      2.298 ppm2      1.099
 OR { 4129}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 4129}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 2312}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "15  " and name "HA  ")
      5.000     5.000     0.000 peak  2312 weight  0.10000E+01 volume -0.65600E+00 ppm1      1.270 ppm2      4.419
 ASSI { 2307}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HA  ")
      5.000     5.000     0.000 peak  2307 weight  0.10000E+01 volume -0.40000E+00 ppm1      1.389 ppm2      4.419
 ASSI { 2916}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "15  " and name "HD13")
      5.000     5.000     0.000 peak  2916 weight  0.10000E+01 volume -0.49000E+00 ppm1      1.599 ppm2      0.651
 OR { 2916}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "15  " and name "HD11")
 OR { 2916}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "15  " and name "HD12")
 ASSI { 2302}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HG21")
      5.000     5.000     0.000 peak  2302 weight  0.10000E+01 volume -0.11350E+01 ppm1      1.375 ppm2      0.941
 OR { 2302}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2302}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HG23")
 ASSI { 2311}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "15  " and name "HG23")
      5.000     5.000     0.000 peak  2311 weight  0.10000E+01 volume -0.68200E+00 ppm1      1.244 ppm2      0.941
 OR { 2311}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2311}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "15  " and name "HG22")
 ASSI { 1841}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG21")
      5.000     5.000     0.000 peak  1841 weight  0.10000E+01 volume -0.41400E+00 ppm1      1.889 ppm2      0.941
 OR { 1841}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 1841}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG22")
 ASSI { 1836}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HG2 ")
      3.300     3.300     0.000 peak  1836 weight  0.10000E+01 volume -0.23300E+01 ppm1      1.889 ppm2      2.126
 ASSI { 2778}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HA  ")
      6.000     6.000     0.000 peak  2778 weight  0.10000E+01 volume -0.17100E+00 ppm1      3.075 ppm2      4.603
 ASSI { 3373}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  3373 weight  0.10000E+01 volume -0.32600E+00 ppm1      3.167 ppm2      4.603
 ASSI { 2475}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  2475 weight  0.10000E+01 volume -0.13900E+00 ppm1      2.192 ppm2      5.025
 ASSI { 5027}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  5027 weight  0.10000E+01 volume -0.11650E+01 ppm1      2.195 ppm2      3.986
 ASSI { 2484}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  2484 weight  0.10000E+01 volume -0.11290E+01 ppm1      4.017 ppm2      2.013
 ASSI { 2472}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2472 weight  0.10000E+01 volume -0.12660E+01 ppm1      2.192 ppm2      4.024
 ASSI { 2495}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HB1 ")
      3.300     3.300     0.000 peak  2495 weight  0.10000E+01 volume -0.33050E+01 ppm1      4.366 ppm2      3.786
 ASSI { 2496}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HB2 ")
      3.300     3.300     0.000 peak  2496 weight  0.10000E+01 volume -0.29530E+01 ppm1      4.366 ppm2      4.155
 ASSI { 3518}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  3518 weight  0.10000E+01 volume -0.13200E+00 ppm1      1.678 ppm2      2.601
 ASSI { 2550}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak  2550 weight  0.10000E+01 volume -0.41700E+00 ppm1      2.271 ppm2      3.576
 ASSI { 2157}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  2157 weight  0.10000E+01 volume -0.10900E+00 ppm1      4.366 ppm2      3.576
 ASSI { 2143}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG11")
      5.000     5.000     0.000 peak  2143 weight  0.10000E+01 volume -0.12730E+01 ppm1      4.379 ppm2      0.835
 OR { 2143}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 2143}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 2148}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
      5.000     5.000     0.000 peak  2148 weight  0.10000E+01 volume -0.55300E+00 ppm1      4.379 ppm2      1.072
 OR { 2148}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 2148}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 2680}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  2680 weight  0.10000E+01 volume -0.33800E+00 ppm1      2.008 ppm2      3.944
 ASSI { 2154}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  2154 weight  0.10000E+01 volume -0.15400E+00 ppm1      4.366 ppm2      3.944
 ASSI { 1857}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HA  ")
      5.000     5.000     0.000 peak  1857 weight  0.10000E+01 volume -0.30800E+00 ppm1      1.678 ppm2      4.551
 ASSI { 2703}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  2703 weight  0.10000E+01 volume -0.45600E+00 ppm1      1.547 ppm2      4.366
 ASSI { 2699}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  2699 weight  0.10000E+01 volume -0.69100E+00 ppm1      1.547 ppm2      1.415
 ASSI { 2707}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HE1 ")
      5.000     5.000     0.000 peak  2707 weight  0.10000E+01 volume -0.33400E+00 ppm1      1.547 ppm2      2.759
 ASSI { 1856}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HA  ")
      6.000     6.000     0.000 peak  1856 weight  0.10000E+01 volume -0.22400E+00 ppm1      1.678 ppm2      4.182
 ASSI { 5294}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "29  " and name "HG1 ")
      5.000     5.000     0.000 peak  5294 weight  0.10000E+01 volume -0.94000E+00 ppm1      3.173 ppm2      1.815
 ASSI { 2927}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "29  " and name "HG1 ")
      5.000     5.000     0.000 peak  2927 weight  0.10000E+01 volume -0.12650E+01 ppm1      3.089 ppm2      1.818
 ASSI { 2921}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  2921 weight  0.10000E+01 volume -0.11800E+00 ppm1      1.599 ppm2      3.312
 ASSI { 2881}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HB1 ")
      3.300     3.300     0.000 peak  2881 weight  0.10000E+01 volume -0.21400E+01 ppm1      4.313 ppm2      2.811
 ASSI { 2880}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HB2 ")
      3.300     3.300     0.000 peak  2880 weight  0.10000E+01 volume -0.20600E+01 ppm1      4.313 ppm2      2.732
 ASSI { 2914}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak  2914 weight  0.10000E+01 volume -0.73100E+00 ppm1      1.599 ppm2      4.313
 OR { 2914}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HA  ")
 ASSI { 2913}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HE2 ")
      5.000     5.000     0.000 peak  2913 weight  0.10000E+01 volume -0.82100E+00 ppm1      1.599 ppm2      3.101
 OR { 2913}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HE1 ")
 OR { 2913}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2913}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HE1 ")
 ASSI { 2955}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  2955 weight  0.10000E+01 volume -0.63000E+00 ppm1      2.008 ppm2      4.498
 OR { 2955}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HA  ")
 ASSI { 2954}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HB2 ")
      3.300     3.300     0.000 peak  2954 weight  0.10000E+01 volume -0.20410E+01 ppm1      2.008 ppm2      1.678
 OR { 2954}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HB2 ")
 ASSI { 5101}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HD12")
      5.000     5.000     0.000 peak  5101 weight  0.10000E+01 volume -0.17590E+01 ppm1      2.269 ppm2      0.790
 OR { 5101}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HD13")
 ASSI { 5423}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD13")
      5.000     5.000     0.000 peak  5423 weight  0.10000E+01 volume -0.71300E+00 ppm1      2.001 ppm2      0.790
 OR { 5423}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 5423}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 5423}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD12")
 ASSI { 3093}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  3093 weight  0.10000E+01 volume -0.19000E+00 ppm1      2.192 ppm2      4.603
 ASSI { 5028}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  5028 weight  0.10000E+01 volume -0.94800E+00 ppm1      2.195 ppm2      4.057
 ASSI { 3156}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  3156 weight  0.10000E+01 volume -0.74300E+00 ppm1      1.797 ppm2      4.076
 ASSI { 2474}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD1 ")
      3.300     3.300     0.000 peak  2474 weight  0.10000E+01 volume -0.22370E+01 ppm1      2.192 ppm2      3.734
 OR { 2474}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 2936}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HB1 ")
      5.000     5.000     0.000 peak  2936 weight  0.10000E+01 volume -0.16510E+01 ppm1      4.471 ppm2      2.469
 ASSI { 2928}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG1 ")
      3.300     3.300     0.000 peak  2928 weight  0.10000E+01 volume -0.24260E+01 ppm1      4.471 ppm2      2.363
 OR { 2928}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG2 ")
 ASSI { 3155}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HA  ")
      5.000     5.000     0.000 peak  3155 weight  0.10000E+01 volume -0.76200E+00 ppm1      1.810 ppm2      4.103
 ASSI { 2306}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     5.000     0.000 peak  2306 weight  0.10000E+01 volume -0.12600E+01 ppm1      1.270 ppm2      1.705
 ASSI { 4813}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "42  " and name "HD2 ")
      5.000     5.000     0.000 peak  4813 weight  0.10000E+01 volume -0.11310E+01 ppm1      0.956 ppm2      3.075
 OR { 4813}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 4813}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 4813}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 4813}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 2310}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HD1 ")
      5.000     5.000     0.000 peak  2310 weight  0.10000E+01 volume -0.10200E+01 ppm1      1.296 ppm2      3.075
 OR { 2310}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 3159}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD22")
      5.000     5.000     0.000 peak  3159 weight  0.10000E+01 volume -0.34300E+00 ppm1      1.797 ppm2      0.756
 OR { 3159}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 2305}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HA  ")
      5.000     5.000     0.000 peak  2305 weight  0.10000E+01 volume -0.45000E+00 ppm1      1.375 ppm2      4.919
 ASSI { 5760}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD11")
      5.000     5.000     0.000 peak  5760 weight  0.10000E+01 volume -0.85700E+00 ppm1      4.894 ppm2      0.657
 OR { 5760}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD12")
 ASSI { 2912}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak  2912 weight  0.10000E+01 volume -0.90700E+00 ppm1      1.586 ppm2      4.656
 OR { 2912}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 3359}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak  3359 weight  0.10000E+01 volume -0.10600E+01 ppm1      1.981 ppm2      4.656
 ASSI { 4021}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak  4021 weight  0.10000E+01 volume -0.80500E+00 ppm1      2.074 ppm2      4.656
 ASSI { 2909}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HD2 ")
      2.700     2.700     0.000 peak  2909 weight  0.10000E+01 volume -0.43190E+01 ppm1      1.586 ppm2      1.942
 OR { 2909}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 2909}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 2909}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 3467}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  3467 weight  0.10000E+01 volume -0.15550E+01 ppm1      2.192 ppm2      4.577
 ASSI { 3773}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  3773 weight  0.10000E+01 volume -0.55800E+00 ppm1      1.916 ppm2      4.603
 ASSI { 3466}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HG1 ")
      5.000     5.000     0.000 peak  3466 weight  0.10000E+01 volume -0.16250E+01 ppm1      2.192 ppm2      2.443
 ASSI { 3770}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HG1 ")
      5.000     5.000     0.000 peak  3770 weight  0.10000E+01 volume -0.99500E+00 ppm1      1.929 ppm2      2.443
 ASSI { 3768}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HG2 ")
      5.000     5.000     0.000 peak  3768 weight  0.10000E+01 volume -0.11080E+01 ppm1      1.929 ppm2      2.311
 ASSI { 2145}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HB2 ")
      5.000     5.000     0.000 peak  2145 weight  0.10000E+01 volume -0.11320E+01 ppm1      4.379 ppm2      2.495
 ASSI { 3507}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HA  ")
      5.000     5.000     0.000 peak  3507 weight  0.10000E+01 volume -0.62600E+00 ppm1      1.665 ppm2      4.814
 ASSI { 3504}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HB1 ")
      5.000     5.000     0.000 peak  3504 weight  0.10000E+01 volume -0.97500E+00 ppm1      1.665 ppm2      2.363
 OR { 3504}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 2497}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "55  " and name "HB  ")
      5.000     5.000     0.000 peak  2497 weight  0.10000E+01 volume -0.17090E+01 ppm1      4.366 ppm2      4.471
 ASSI { 5881}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HB2 ")
      2.700     2.700     0.000 peak  5881 weight  0.10000E+01 volume -0.48950E+01 ppm1      1.668 ppm2      1.869
 ASSI { 3501}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD13")
      5.000     5.000     0.000 peak  3501 weight  0.10000E+01 volume -0.12300E+01 ppm1      1.665 ppm2      0.414
 OR { 3501}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 3501}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 3502}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD21")
      5.000     5.000     0.000 peak  3502 weight  0.10000E+01 volume -0.11340E+01 ppm1      1.665 ppm2      0.308
 OR { 3502}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 3502}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD23")
 ASSI { 2879}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "58  " and name "HB1 ")
      3.300     3.300     0.000 peak  2879 weight  0.10000E+01 volume -0.23370E+01 ppm1      4.340 ppm2      2.311
 ASSI { 2882}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "58  " and name "HB2 ")
      5.000     5.000     0.000 peak  2882 weight  0.10000E+01 volume -0.13150E+01 ppm1      4.340 ppm2      3.022
 ASSI { 3363}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD2 ")
      6.000     6.000     0.000 peak  3363 weight  0.10000E+01 volume -0.14700E+00 ppm1      1.981 ppm2      7.265
 OR { 3363}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 3512}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  3512 weight  0.10000E+01 volume -0.95000E-01 ppm1      1.665 ppm2      6.869
 ASSI { 3364}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  3364 weight  0.10000E+01 volume -0.15600E+00 ppm1      1.981 ppm2      6.869
 OR { 3364}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 5884}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "61  " and name "HD13")
      5.000     5.000     0.000 peak  5884 weight  0.10000E+01 volume -0.13180E+01 ppm1      1.668 ppm2      0.383
 OR { 5884}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 5884}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "61  " and name "HD11")
 ASSI { 6092}
     (segid "    " and resid "61  " and name "HG11")
     (segid "    " and resid "61  " and name "HG22")
      5.000     5.000     0.000 peak  6092 weight  0.10000E+01 volume -0.70400E+00 ppm1      1.020 ppm2      0.334
 OR { 6092}
     (segid "    " and resid "61  " and name "HG11")
     (segid "    " and resid "61  " and name "HG21")
 OR { 6092}
     (segid "    " and resid "61  " and name "HG11")
     (segid "    " and resid "61  " and name "HG23")
 ASSI { 3777}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  3777 weight  0.10000E+01 volume -0.50000E+00 ppm1      1.823 ppm2      4.551
 ASSI { 6147}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  6147 weight  0.10000E+01 volume -0.16290E+01 ppm1      2.194 ppm2      4.545
 ASSI { 3771}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG1 ")
      5.000     5.000     0.000 peak  3771 weight  0.10000E+01 volume -0.80200E+00 ppm1      1.955 ppm2      1.547
 ASSI { 2217}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "66  " and name "HB  ")
      3.300     3.300     0.000 peak  2217 weight  0.10000E+01 volume -0.32070E+01 ppm1      0.941 ppm2      4.129
 OR { 2217}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "66  " and name "HB  ")
 OR { 2217}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "66  " and name "HB  ")
 ASSI { 1872}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "67  " and name "HD13")
      5.000     5.000     0.000 peak  1872 weight  0.10000E+01 volume -0.82400E+00 ppm1      2.047 ppm2      0.703
 OR { 1872}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 1872}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "67  " and name "HD12")
 ASSI { 4048}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "68  " and name "HA  ")
      6.000     6.000     0.000 peak  4048 weight  0.10000E+01 volume -0.13000E+00 ppm1      0.927 ppm2      4.972
 OR { 4048}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 4048}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 4048}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 4048}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "68  " and name "HA  ")
 ASSI { 4816}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "68  " and name "HB2 ")
      5.000     5.000     0.000 peak  4816 weight  0.10000E+01 volume -0.15930E+01 ppm1      0.956 ppm2      3.092
 OR { 4816}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 4816}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 4816}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 4816}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 4042}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "68  " and name "HD2 ")
      5.000     5.000     0.000 peak  4042 weight  0.10000E+01 volume -0.34900E+00 ppm1      0.941 ppm2      7.054
 OR { 4042}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "68  " and name "HD2 ")
 OR { 4042}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "68  " and name "HD2 ")
 ASSI { 3158}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD11")
      5.000     5.000     0.000 peak  3158 weight  0.10000E+01 volume -0.53300E+00 ppm1      1.797 ppm2      0.861
 OR { 3158}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 3158}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD12")
 ASSI { 2956}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HD21")
      5.000     5.000     0.000 peak  2956 weight  0.10000E+01 volume -0.70900E+00 ppm1      2.008 ppm2      0.782
 OR { 2956}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2956}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2956}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2956}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2956}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2956}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "69  " and name "HD21")
 ASSI { 2233}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "70  " and name "HA  ")
      5.000     5.000     0.000 peak  2233 weight  0.10000E+01 volume -0.13160E+01 ppm1      0.927 ppm2      4.392
 OR { 2233}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2233}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 1804}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "63  " and name "HG1 ")
      6.000     6.000     0.000 peak  1804 weight  0.10000E+01 volume -0.11900E+00 ppm1      4.182 ppm2      1.520
 OR { 1804}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 1806}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "2   " and name "HB2 ")
      6.000     6.000     0.000 peak  1806 weight  0.10000E+01 volume -0.12200E+00 ppm1      4.182 ppm2      1.652
 ASSI { 1802}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  1802 weight  0.10000E+01 volume -0.31100E+00 ppm1      4.182 ppm2      2.495
 ASSI { 1808}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "63  " and name "HA  ")
      6.000     6.000     0.000 peak  1808 weight  0.10000E+01 volume -0.77000E-01 ppm1      4.182 ppm2      3.918
 ASSI { 1803}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  1803 weight  0.10000E+01 volume -0.16600E+00 ppm1      4.182 ppm2      4.788
 ASSI { 2373}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HB2 ")
      3.300     3.300     0.000 peak  2373 weight  0.10000E+01 volume -0.30800E+01 ppm1      4.180 ppm2      2.014
 OR { 2373}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 1811}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  1811 weight  0.10000E+01 volume -0.54200E+00 ppm1      2.126 ppm2      2.495
 ASSI { 1815}
     (segid "    " and resid "1   " and name "HB2 ")
     (segid "    " and resid "1   " and name "HB1 ")
      3.300     3.300     0.000 peak  1815 weight  0.10000E+01 volume -0.32460E+01 ppm1      2.021 ppm2      2.126
 ASSI { 1974}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "17  " and name "HG12")
      5.000     5.000     0.000 peak  1974 weight  0.10000E+01 volume -0.66900E+00 ppm1      1.520 ppm2      0.677
 OR { 1974}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "17  " and name "HG13")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "17  " and name "HG12")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "17  " and name "HG13")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "17  " and name "HG12")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 1974}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "67  " and name "HD11")
 ASSI { 1980}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "63  " and name "HB2 ")
      6.000     6.000     0.000 peak  1980 weight  0.10000E+01 volume -0.29600E+00 ppm1      1.520 ppm2      1.784
 OR { 1980}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "63  " and name "HB2 ")
 OR { 1980}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "63  " and name "HB2 ")
 ASSI { 1977}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  1977 weight  0.10000E+01 volume -0.39700E+00 ppm1      1.520 ppm2      1.889
 OR { 1977}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 1977}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 1977}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "63  " and name "HB1 ")
 ASSI { 1966}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HG2 ")
      3.300     3.300     0.000 peak  1966 weight  0.10000E+01 volume -0.27460E+01 ppm1      1.520 ppm2      2.021
 OR { 1966}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 1966}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 1966}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 1966}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "19  " and name "HG2 ")
 OR { 1966}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "19  " and name "HG2 ")
 ASSI { 1968}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  1968 weight  0.10000E+01 volume -0.14350E+01 ppm1      1.520 ppm2      2.495
 OR { 1968}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 1968}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "1   " and name "HG1 ")
 ASSI { 4474}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  4474 weight  0.10000E+01 volume -0.10250E+01 ppm1      1.519 ppm2      3.935
 OR { 4474}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 4474}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 4480}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HG1 ")
      5.000     5.000     0.000 peak  4480 weight  0.10000E+01 volume -0.66000E+00 ppm1      1.519 ppm2      2.193
 ASSI { 1833}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  1833 weight  0.10000E+01 volume -0.38400E+00 ppm1      2.032 ppm2      3.940
 ASSI { 4128}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  4128 weight  0.10000E+01 volume -0.32300E+00 ppm1      2.311 ppm2      4.788
 ASSI { 1859}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HB  ")
      3.300     3.300     0.000 peak  1859 weight  0.10000E+01 volume -0.29050E+01 ppm1      4.182 ppm2      2.047
 ASSI { 1862}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "63  " and name "HA  ")
      6.000     6.000     0.000 peak  1862 weight  0.10000E+01 volume -0.17500E+00 ppm1      4.182 ppm2      3.944
 OR { 1862}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 1865}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  1865 weight  0.10000E+01 volume -0.60000E-01 ppm1      4.182 ppm2      4.788
 ASSI { 1897}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "2   " and name "HB1 ")
      6.000     6.000     0.000 peak  1897 weight  0.10000E+01 volume -0.12600E+00 ppm1      0.572 ppm2      1.863
 OR { 1897}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "62  " and name "HB2 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "62  " and name "HB2 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "62  " and name "HB2 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 1897}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "16  " and name "HB2 ")
 ASSI { 1895}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "15  " and name "HG23")
      6.000     6.000     0.000 peak  1895 weight  0.10000E+01 volume -0.13300E+00 ppm1      0.572 ppm2      0.941
 OR { 1895}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "15  " and name "HG22")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "15  " and name "HG23")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "15  " and name "HG22")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "15  " and name "HG22")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "15  " and name "HG23")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "66  " and name "HG23")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "67  " and name "HG23")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "67  " and name "HG22")
 OR { 1895}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "67  " and name "HG21")
 ASSI { 1888}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "3   " and name "HB  ")
      3.300     3.300     0.000 peak  1888 weight  0.10000E+01 volume -0.28690E+01 ppm1      0.572 ppm2      2.047
 OR { 1888}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "3   " and name "HB  ")
 OR { 1888}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "3   " and name "HB  ")
 OR { 1888}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 1888}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 1894}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  1894 weight  0.10000E+01 volume -0.23000E+00 ppm1      0.572 ppm2      2.495
 OR { 1894}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 1894}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "1   " and name "HG1 ")
 ASSI { 1892}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  1892 weight  0.10000E+01 volume -0.59000E+00 ppm1      0.572 ppm2      3.944
 OR { 1892}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 1892}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 1892}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 1898}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  1898 weight  0.10000E+01 volume -0.60000E-01 ppm1      0.572 ppm2      4.788
 OR { 1898}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 1898}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "2   " and name "HA  ")
 ASSI { 1868}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "17  " and name "HG21")
      5.000     5.000     0.000 peak  1868 weight  0.10000E+01 volume -0.15100E+01 ppm1      0.585 ppm2      0.387
 OR { 1868}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "17  " and name "HG23")
 OR { 1868}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "17  " and name "HG23")
 OR { 1868}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "17  " and name "HG22")
 OR { 1868}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "17  " and name "HG21")
 OR { 1868}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "17  " and name "HG22")
 ASSI { 1875}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "15  " and name "HG22")
      5.000     5.000     0.000 peak  1875 weight  0.10000E+01 volume -0.69200E+00 ppm1      0.585 ppm2      0.941
 OR { 1875}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "15  " and name "HG23")
 OR { 1875}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "15  " and name "HG22")
 OR { 1875}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "15  " and name "HG22")
 OR { 1875}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "15  " and name "HG23")
 OR { 1875}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1875}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1875}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 1882}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "5   " and name "HB2 ")
      6.000     6.000     0.000 peak  1882 weight  0.10000E+01 volume -0.16500E+00 ppm1      0.585 ppm2      1.125
 OR { 1882}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 1882}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 1882}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "14  " and name "HG21")
 OR { 1882}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "14  " and name "HG23")
 OR { 1882}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 1885}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "15  " and name "HG12")
      6.000     6.000     0.000 peak  1885 weight  0.10000E+01 volume -0.14500E+00 ppm1      0.585 ppm2      1.230
 OR { 1885}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "15  " and name "HG12")
 OR { 1885}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "15  " and name "HG12")
 OR { 1885}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "67  " and name "HG12")
 OR { 1885}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "67  " and name "HG12")
 ASSI { 1877}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "1   " and name "HE1 ")
      6.000     6.000     0.000 peak  1877 weight  0.10000E+01 volume -0.23700E+00 ppm1      0.585 ppm2      1.520
 OR { 1877}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 1877}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "67  " and name "HG11")
 OR { 1877}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "67  " and name "HG11")
 OR { 1877}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "67  " and name "HG11")
 OR { 1877}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 1877}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 1877}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 1877}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 1877}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 1879}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "67  " and name "HB  ")
      6.000     6.000     0.000 peak  1879 weight  0.10000E+01 volume -0.16400E+00 ppm1      0.585 ppm2      1.863
 OR { 1879}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 1879}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 1867}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "3   " and name "HB  ")
      3.300     3.300     0.000 peak  1867 weight  0.10000E+01 volume -0.21870E+01 ppm1      0.585 ppm2      2.047
 OR { 1867}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "3   " and name "HB  ")
 OR { 1867}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "3   " and name "HB  ")
 ASSI { 1884}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  1884 weight  0.10000E+01 volume -0.92000E-01 ppm1      0.585 ppm2      4.788
 OR { 1884}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 1884}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "2   " and name "HA  ")
 ASSI { 1886}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "26  " and name "HD1 ")
      6.000     6.000     0.000 peak  1886 weight  0.10000E+01 volume -0.11700E+00 ppm1      0.585 ppm2      7.054
 OR { 1886}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 1886}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 1886}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 1886}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 1886}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 1886}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 1886}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 1886}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 1886}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 1887}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "15  " and name "HG11")
      6.000     6.000     0.000 peak  1887 weight  0.10000E+01 volume -0.12300E+00 ppm1      0.585 ppm2      1.362
 OR { 1887}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "15  " and name "HG11")
 OR { 1887}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "15  " and name "HG11")
 ASSI { 1910}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG13")
      6.000     6.000     0.000 peak  1910 weight  0.10000E+01 volume -0.11500E+00 ppm1      5.460 ppm2      0.914
 OR { 1910}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG12")
 OR { 1910}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 1910}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 1910}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 1910}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 1910}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG23")
 ASSI { 1913}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  1913 weight  0.10000E+01 volume -0.78000E-01 ppm1      5.433 ppm2      4.182
 ASSI { 1992}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG22")
      5.000     5.000     0.000 peak  1992 weight  0.10000E+01 volume -0.48900E+00 ppm1      7.041 ppm2      1.046
 OR { 1992}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 1992}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 1992}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG22")
 ASSI { 1982}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "4   " and name "HE2 ")
      5.000     5.000     0.000 peak  1982 weight  0.10000E+01 volume -0.19660E+01 ppm1      7.041 ppm2      7.265
 OR { 1982}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "4   " and name "HE1 ")
 ASSI { 1990}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG23")
      6.000     6.000     0.000 peak  1990 weight  0.10000E+01 volume -0.11800E+00 ppm1      7.251 ppm2      1.099
 OR { 1990}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 1990}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 1927}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD11")
      3.300     3.300     0.000 peak  1927 weight  0.10000E+01 volume -0.20610E+01 ppm1      5.446 ppm2      0.756
 OR { 1927}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD12")
 OR { 1927}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD13")
 ASSI { 1931}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG23")
      5.000     5.000     0.000 peak  1931 weight  0.10000E+01 volume -0.38700E+00 ppm1      5.446 ppm2      0.967
 OR { 1931}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 1931}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 1931}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 1931}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 1931}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 1939}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "30  " and name "HG22")
      6.000     6.000     0.000 peak  1939 weight  0.10000E+01 volume -0.18500E+00 ppm1      1.902 ppm2      0.572
 OR { 1939}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 1939}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HG21")
 OR { 1939}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HG23")
 OR { 1939}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HG22")
 ASSI { 1936}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "13  " and name "HG21")
      5.000     5.000     0.000 peak  1936 weight  0.10000E+01 volume -0.66100E+00 ppm1      1.902 ppm2      0.888
 OR { 1936}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 1936}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "13  " and name "HG22")
 ASSI { 4603}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD23")
      5.000     5.000     0.000 peak  4603 weight  0.10000E+01 volume -0.92400E+00 ppm1      1.899 ppm2      0.657
 OR { 4603}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD22")
 OR { 4603}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD21")
 ASSI { 1945}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "13  " and name "HG22")
      5.000     5.000     0.000 peak  1945 weight  0.10000E+01 volume -0.31800E+00 ppm1      1.125 ppm2      0.888
 OR { 1945}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 1945}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "13  " and name "HG23")
 ASSI { 2011}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "30  " and name "HG12")
      6.000     6.000     0.000 peak  2011 weight  0.10000E+01 volume -0.27400E+00 ppm1      0.756 ppm2      0.334
 OR { 2011}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "30  " and name "HG12")
 OR { 2011}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 2003}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "5   " and name "HG  ")
      3.300     3.300     0.000 peak  2003 weight  0.10000E+01 volume -0.26770E+01 ppm1      0.756 ppm2      1.283
 OR { 2003}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "5   " and name "HG  ")
 OR { 2003}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2003}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "5   " and name "HG  ")
 OR { 2003}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 2013}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "13  " and name "HB  ")
      6.000     6.000     0.000 peak  2013 weight  0.10000E+01 volume -0.82000E-01 ppm1      0.756 ppm2      2.153
 OR { 2013}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2013}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "13  " and name "HB  ")
 ASSI { 2010}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  2010 weight  0.10000E+01 volume -0.22000E+00 ppm1      0.756 ppm2      4.709
 OR { 2010}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 2010}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 2010}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 2010}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "7   " and name "HA  ")
 ASSI { 2005}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "5   " and name "HB2 ")
      5.000     5.000     0.000 peak  2005 weight  0.10000E+01 volume -0.15010E+01 ppm1      0.756 ppm2      1.125
 OR { 2005}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 2005}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "5   " and name "HB2 ")
 ASSI { 2016}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG12")
      5.000     5.000     0.000 peak  2016 weight  0.10000E+01 volume -0.38500E+00 ppm1      0.690 ppm2      0.993
 OR { 2016}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2016}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2016}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2016}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2016}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2016}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "13  " and name "HG12")
 ASSI { 2017}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "34  " and name "HG1 ")
      5.000     5.000     0.000 peak  2017 weight  0.10000E+01 volume -0.42500E+00 ppm1      0.690 ppm2      2.021
 OR { 2017}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2017}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 2017}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 2017}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 2017}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2017}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 2017}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 2014}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG12")
      5.000     5.000     0.000 peak  2014 weight  0.10000E+01 volume -0.92000E+00 ppm1      0.690 ppm2      0.914
 OR { 2014}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG23")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG21")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG22")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "13  " and name "HG23")
 OR { 2014}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "13  " and name "HG22")
 ASSI { 2001}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "5   " and name "HB2 ")
      5.000     5.000     0.000 peak  2001 weight  0.10000E+01 volume -0.12460E+01 ppm1      0.690 ppm2      1.125
 OR { 2001}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 2001}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 2001}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2001}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "7   " and name "HG23")
 ASSI { 2023}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "34  " and name "HB2 ")
      6.000     6.000     0.000 peak  2023 weight  0.10000E+01 volume -0.15800E+00 ppm1      0.690 ppm2      1.652
 OR { 2023}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 2023}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "29  " and name "HD2 ")
 ASSI { 2031}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD23")
      6.000     6.000     0.000 peak  2031 weight  0.10000E+01 volume -0.72000E-01 ppm1      5.209 ppm2      0.730
 OR { 2031}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2031}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2031}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD12")
 OR { 2031}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD13")
 OR { 2031}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD11")
 ASSI { 2029}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG12")
      6.000     6.000     0.000 peak  2029 weight  0.10000E+01 volume -0.20900E+00 ppm1      5.196 ppm2      0.914
 OR { 2029}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2029}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 2029}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 2029}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG11")
 ASSI { 2030}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HA  ")
      6.000     6.000     0.000 peak  2030 weight  0.10000E+01 volume -0.11600E+00 ppm1      5.196 ppm2      5.420
 ASSI { 2032}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "7   " and name "HA  ")
      6.000     6.000     0.000 peak  2032 weight  0.10000E+01 volume -0.69000E-01 ppm1      5.209 ppm2      4.709
 ASSI { 2035}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HB2 ")
      3.300     3.300     0.000 peak  2035 weight  0.10000E+01 volume -0.32500E+01 ppm1      1.665 ppm2      1.336
 OR { 2035}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HG1 ")
 ASSI { 2039}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG22")
      6.000     6.000     0.000 peak  2039 weight  0.10000E+01 volume -0.27800E+00 ppm1      1.652 ppm2      0.941
 OR { 2039}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 2039}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 2039}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD22")
 OR { 2039}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 2047}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HE2 ")
      6.000     6.000     0.000 peak  2047 weight  0.10000E+01 volume -0.11200E+00 ppm1      1.336 ppm2      2.890
 OR { 2047}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 2057}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "66  " and name "HG21")
      5.000     5.000     0.000 peak  2057 weight  0.10000E+01 volume -0.41500E+00 ppm1      1.547 ppm2      0.941
 OR { 2057}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 2057}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 2057}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 2057}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "66  " and name "HG22")
 ASSI { 2054}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HG2 ")
      5.000     5.000     0.000 peak  2054 weight  0.10000E+01 volume -0.10180E+01 ppm1      1.547 ppm2      1.230
 OR { 2054}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HG2 ")
 ASSI { 2049}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HG1 ")
      3.300     3.300     0.000 peak  2049 weight  0.10000E+01 volume -0.22370E+01 ppm1      1.547 ppm2      1.389
 OR { 2049}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HG1 ")
 ASSI { 2041}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HG2 ")
      3.300     3.300     0.000 peak  2041 weight  0.10000E+01 volume -0.29620E+01 ppm1      1.402 ppm2      1.230
 ASSI { 2051}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE1 ")
      5.000     5.000     0.000 peak  2051 weight  0.10000E+01 volume -0.36300E+00 ppm1      1.389 ppm2      2.890
 OR { 2051}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE2 ")
 ASSI { 2078}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "5   " and name "HD23")
      5.000     5.000     0.000 peak  2078 weight  0.10000E+01 volume -0.66100E+00 ppm1      1.165 ppm2      0.677
 OR { 2078}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "5   " and name "HD23")
 OR { 2078}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2078}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2078}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2078}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "5   " and name "HD23")
 OR { 2078}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "5   " and name "HD21")
 ASSI { 2088}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "13  " and name "HB  ")
      6.000     6.000     0.000 peak  2088 weight  0.10000E+01 volume -0.15700E+00 ppm1      1.165 ppm2      2.153
 OR { 2088}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2088}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "13  " and name "HB  ")
 ASSI { 2083}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "12  " and name "HA  ")
      5.000     5.000     0.000 peak  2083 weight  0.10000E+01 volume -0.30000E+00 ppm1      1.165 ppm2      5.315
 OR { 2083}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 2083}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "12  " and name "HA  ")
 ASSI { 2092}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "70  " and name "HG23")
      6.000     6.000     0.000 peak  2092 weight  0.10000E+01 volume -0.11400E+00 ppm1      4.287 ppm2      0.809
 OR { 2092}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2092}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2092}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2092}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 2092}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "69  " and name "HD21")
 ASSI { 2114}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "9   " and name "HG21")
      6.000     6.000     0.000 peak  2114 weight  0.10000E+01 volume -0.10900E+00 ppm1      1.020 ppm2      1.283
 OR { 2114}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "9   " and name "HG22")
 OR { 2114}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "9   " and name "HG23")
 OR { 2114}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "9   " and name "HG22")
 OR { 2114}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "9   " and name "HG22")
 OR { 2114}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "9   " and name "HG23")
 OR { 2114}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "9   " and name "HG23")
 OR { 2114}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "9   " and name "HG21")
 OR { 2114}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "9   " and name "HG21")
 OR { 2114}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 2116}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "69  " and name "HG  ")
      6.000     6.000     0.000 peak  2116 weight  0.10000E+01 volume -0.10200E+00 ppm1      1.020 ppm2      1.389
 OR { 2116}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 2116}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 2113}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "71  " and name "HB2 ")
      5.000     5.000     0.000 peak  2113 weight  0.10000E+01 volume -0.35000E+00 ppm1      1.020 ppm2      1.626
 OR { 2113}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 2113}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 2113}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 2113}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 2113}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "71  " and name "HG  ")
 ASSI { 2125}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "71  " and name "HB2 ")
      5.000     5.000     0.000 peak  2125 weight  0.10000E+01 volume -0.45100E+00 ppm1      0.967 ppm2      1.599
 OR { 2125}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 2125}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "71  " and name "HB2 ")
 ASSI { 2123}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "69  " and name "HG  ")
      5.000     5.000     0.000 peak  2123 weight  0.10000E+01 volume -0.38400E+00 ppm1      0.967 ppm2      1.415
 OR { 2123}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 2123}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "69  " and name "HG  ")
 ASSI { 2104}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "69  " and name "HD22")
      5.000     5.000     0.000 peak  2104 weight  0.10000E+01 volume -0.37800E+00 ppm1      1.836 ppm2      0.809
 OR { 2104}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2104}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2104}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2104}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2104}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "36  " and name "HD11")
 ASSI { 2149}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HB2 ")
      5.000     5.000     0.000 peak  2149 weight  0.10000E+01 volume -0.14530E+01 ppm1      1.797 ppm2      1.678
 OR { 2149}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 2149}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 2161}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HB1 ")
      5.000     5.000     0.000 peak  2161 weight  0.10000E+01 volume -0.12120E+01 ppm1      1.678 ppm2      1.784
 ASSI { 2185}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "13  " and name "HG22")
      6.000     6.000     0.000 peak  2185 weight  0.10000E+01 volume -0.12200E+00 ppm1      1.626 ppm2      0.914
 OR { 2185}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 2185}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2185}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HG22")
 OR { 2185}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 2185}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "13  " and name "HG21")
 ASSI { 2183}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HG22")
      6.000     6.000     0.000 peak  2183 weight  0.10000E+01 volume -0.18200E+00 ppm1      1.626 ppm2      1.204
 OR { 2183}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2183}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2183}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HG22")
 ASSI { 2179}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
      5.000     5.000     0.000 peak  2179 weight  0.10000E+01 volume -0.67200E+00 ppm1      1.639 ppm2      2.917
 OR { 2179}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2179}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2179}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 2182}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HA  ")
      6.000     6.000     0.000 peak  2182 weight  0.10000E+01 volume -0.17300E+00 ppm1      1.639 ppm2      4.340
 OR { 2182}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HA  ")
 ASSI { 2170}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HB1 ")
      5.000     5.000     0.000 peak  2170 weight  0.10000E+01 volume -0.79500E+00 ppm1      1.428 ppm2      1.784
 ASSI { 2175}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE1 ")
      5.000     5.000     0.000 peak  2175 weight  0.10000E+01 volume -0.33200E+00 ppm1      1.428 ppm2      2.917
 OR { 2175}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 2176}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE1 ")
      6.000     6.000     0.000 peak  2176 weight  0.10000E+01 volume -0.26300E+00 ppm1      1.270 ppm2      2.917
 OR { 2176}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 2188}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG22")
      6.000     6.000     0.000 peak  2188 weight  0.10000E+01 volume -0.25400E+00 ppm1      5.302 ppm2      0.914
 OR { 2188}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 2188}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2188}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG23")
 OR { 2188}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG12")
 ASSI { 2193}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "11  " and name "HD1 ")
      6.000     6.000     0.000 peak  2193 weight  0.10000E+01 volume -0.16800E+00 ppm1      5.302 ppm2      1.652
 OR { 2193}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2193}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 2193}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 2201}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "6   " and name "HG1 ")
      6.000     6.000     0.000 peak  2201 weight  0.10000E+01 volume -0.29000E+00 ppm1      1.059 ppm2      1.362
 OR { 2201}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2201}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2201}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "6   " and name "HB2 ")
 ASSI { 2211}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "6   " and name "HB1 ")
      6.000     6.000     0.000 peak  2211 weight  0.10000E+01 volume -0.16400E+00 ppm1      1.059 ppm2      1.652
 OR { 2211}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2211}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2211}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 2211}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2211}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2211}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 2209}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "13  " and name "HA  ")
      6.000     6.000     0.000 peak  2209 weight  0.10000E+01 volume -0.12800E+00 ppm1      1.046 ppm2      4.656
 OR { 2209}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "13  " and name "HA  ")
 OR { 2209}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "13  " and name "HA  ")
 ASSI { 2215}
     (segid "    " and resid "13  " and name "HB  ")
     (segid "    " and resid "33  " and name "HE1 ")
      6.000     6.000     0.000 peak  2215 weight  0.10000E+01 volume -0.13300E+00 ppm1      2.153 ppm2      3.101
 OR { 2215}
     (segid "    " and resid "13  " and name "HB  ")
     (segid "    " and resid "33  " and name "HE2 ")
 ASSI { 2238}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "7   " and name "HG21")
      5.000     5.000     0.000 peak  2238 weight  0.10000E+01 volume -0.18260E+01 ppm1      0.888 ppm2      1.151
 OR { 2238}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2238}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2238}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2238}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2238}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2238}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "7   " and name "HG22")
 ASSI { 2242}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  2242 weight  0.10000E+01 volume -0.58100E+00 ppm1      0.888 ppm2      1.283
 OR { 2242}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2242}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "11  " and name "HG2 ")
 OR { 2242}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "11  " and name "HG2 ")
 OR { 2242}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "5   " and name "HG  ")
 OR { 2242}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "5   " and name "HG  ")
 ASSI { 2248}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "11  " and name "HG1 ")
      6.000     6.000     0.000 peak  2248 weight  0.10000E+01 volume -0.24300E+00 ppm1      0.888 ppm2      1.389
 OR { 2248}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "15  " and name "HG11")
 OR { 2248}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "11  " and name "HG1 ")
 ASSI { 2246}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "11  " and name "HD1 ")
      5.000     5.000     0.000 peak  2246 weight  0.10000E+01 volume -0.35600E+00 ppm1      0.888 ppm2      1.599
 OR { 2246}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2246}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2246}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 2245}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "33  " and name "HD1 ")
      5.000     5.000     0.000 peak  2245 weight  0.10000E+01 volume -0.45800E+00 ppm1      0.888 ppm2      1.705
 OR { 2245}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "33  " and name "HD1 ")
 OR { 2245}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "33  " and name "HD1 ")
 OR { 2245}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "33  " and name "HD2 ")
 OR { 2245}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "33  " and name "HD2 ")
 ASSI { 2250}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "7   " and name "HB  ")
      6.000     6.000     0.000 peak  2250 weight  0.10000E+01 volume -0.92000E-01 ppm1      0.888 ppm2      4.788
 OR { 2250}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "7   " and name "HB  ")
 OR { 2250}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "7   " and name "HB  ")
 ASSI { 2251}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "5   " and name "HA  ")
      6.000     6.000     0.000 peak  2251 weight  0.10000E+01 volume -0.70000E-01 ppm1      0.888 ppm2      5.446
 OR { 2251}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 2251}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 2251}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 2251}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 2240}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "5   " and name "HD21")
      5.000     5.000     0.000 peak  2240 weight  0.10000E+01 volume -0.95200E+00 ppm1      0.888 ppm2      0.677
 OR { 2240}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2240}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2240}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2240}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2240}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "15  " and name "HD12")
 OR { 2240}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "5   " and name "HD23")
 OR { 2240}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "5   " and name "HD23")
 OR { 2240}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "15  " and name "HD11")
 ASSI { 2249}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2249 weight  0.10000E+01 volume -0.14300E+00 ppm1      0.888 ppm2      5.315
 OR { 2249}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 2249}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "12  " and name "HA  ")
 ASSI { 2254}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HB2 ")
      6.000     6.000     0.000 peak  2254 weight  0.10000E+01 volume -0.77000E-01 ppm1      5.117 ppm2      3.128
 OR { 2254}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2254}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "33  " and name "HE1 ")
 ASSI { 2226}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG22")
      6.000     6.000     0.000 peak  2226 weight  0.10000E+01 volume -0.18700E+00 ppm1      5.117 ppm2      0.914
 OR { 2226}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG12")
 OR { 2226}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2226}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2226}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG23")
 ASSI { 2252}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG12")
      6.000     6.000     0.000 peak  2252 weight  0.10000E+01 volume -0.10900E+00 ppm1      5.117 ppm2      1.230
 ASSI { 2255}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HA  ")
      6.000     6.000     0.000 peak  2255 weight  0.10000E+01 volume -0.53000E-01 ppm1      5.117 ppm2      4.656
 ASSI { 2259}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HE1 ")
      6.000     6.000     0.000 peak  2259 weight  0.10000E+01 volume -0.64000E-01 ppm1      5.104 ppm2      7.265
 OR { 2259}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HE2 ")
 ASSI { 2257}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "2   " and name "HG2 ")
      6.000     6.000     0.000 peak  2257 weight  0.10000E+01 volume -0.78000E-01 ppm1      4.024 ppm2      1.995
 ASSI { 2234}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "2   " and name "HB2 ")
      6.000     6.000     0.000 peak  2234 weight  0.10000E+01 volume -0.14200E+00 ppm1      4.023 ppm2      1.672
 ASSI { 2265}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "2   " and name "HB1 ")
      5.000     5.000     0.000 peak  2265 weight  0.10000E+01 volume -0.51300E+00 ppm1      1.112 ppm2      1.889
 OR { 2265}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 2265}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "2   " and name "HB1 ")
 ASSI { 2263}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "2   " and name "HG2 ")
      5.000     5.000     0.000 peak  2263 weight  0.10000E+01 volume -0.65300E+00 ppm1      1.112 ppm2      1.995
 OR { 2263}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "2   " and name "HG2 ")
 OR { 2263}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "2   " and name "HG2 ")
 ASSI { 2273}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "16  " and name "HG2 ")
      6.000     6.000     0.000 peak  2273 weight  0.10000E+01 volume -0.79000E-01 ppm1      1.112 ppm2      2.153
 OR { 2273}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "16  " and name "HG2 ")
 OR { 2273}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "16  " and name "HG2 ")
 OR { 2273}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2273}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2273}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2273}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 2272}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HB2 ")
      6.000     6.000     0.000 peak  2272 weight  0.10000E+01 volume -0.10800E+00 ppm1      1.112 ppm2      3.128
 OR { 2272}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2272}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2272}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "64  " and name "HA  ")
 OR { 2272}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "64  " and name "HA  ")
 OR { 2272}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "64  " and name "HA  ")
 OR { 2272}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "33  " and name "HE1 ")
 OR { 2272}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "33  " and name "HE1 ")
 ASSI { 2268}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HD12")
      5.000     5.000     0.000 peak  2268 weight  0.10000E+01 volume -0.14580E+01 ppm1      4.419 ppm2      0.651
 OR { 2268}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HD11")
 ASSI { 2286}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "33  " and name "HE2 ")
      6.000     6.000     0.000 peak  2286 weight  0.10000E+01 volume -0.18300E+00 ppm1      4.419 ppm2      3.101
 OR { 2286}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "33  " and name "HE1 ")
 ASSI { 2283}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "16  " and name "HB2 ")
      5.000     5.000     0.000 peak  2283 weight  0.10000E+01 volume -0.37300E+00 ppm1      4.406 ppm2      1.889
 OR { 2283}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2283}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2283}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "2   " and name "HB1 ")
 ASSI { 2297}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "5   " and name "HB2 ")
      6.000     6.000     0.000 peak  2297 weight  0.10000E+01 volume -0.10400E+00 ppm1      1.692 ppm2      1.099
 OR { 2297}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 2297}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 2291}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HG12")
      5.000     5.000     0.000 peak  2291 weight  0.10000E+01 volume -0.79800E+00 ppm1      1.705 ppm2      1.230
 ASSI { 2288}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HG11")
      5.000     5.000     0.000 peak  2288 weight  0.10000E+01 volume -0.82800E+00 ppm1      1.705 ppm2      1.389
 ASSI { 4872}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HD13")
      5.000     5.000     0.000 peak  4872 weight  0.10000E+01 volume -0.82000E+00 ppm1      1.696 ppm2      0.660
 OR { 4872}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HD12")
 OR { 4872}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HD11")
 OR { 4872}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 4872}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HG12")
 ASSI { 2338}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "15  " and name "HG12")
      5.000     5.000     0.000 peak  2338 weight  0.10000E+01 volume -0.15220E+01 ppm1      0.651 ppm2      1.257
 OR { 2338}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2338}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "15  " and name "HG12")
 ASSI { 2346}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "13  " and name "HB  ")
      6.000     6.000     0.000 peak  2346 weight  0.10000E+01 volume -0.28200E+00 ppm1      0.664 ppm2      2.153
 OR { 2346}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2346}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "13  " and name "HB  ")
 ASSI { 2324}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "17  " and name "HG23")
      6.000     6.000     0.000 peak  2324 weight  0.10000E+01 volume -0.24600E+00 ppm1      0.941 ppm2      0.387
 OR { 2324}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG23")
 OR { 2324}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG21")
 OR { 2324}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HG22")
 OR { 2324}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HG23")
 OR { 2324}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HG21")
 OR { 2324}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG22")
 ASSI { 2321}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "26  " and name "HD1 ")
      5.000     5.000     0.000 peak  2321 weight  0.10000E+01 volume -0.46000E+00 ppm1      0.941 ppm2      7.080
 OR { 2321}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 2321}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 2321}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 2321}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 4893}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HB1 ")
      5.000     5.000     0.000 peak  4893 weight  0.10000E+01 volume -0.19870E+01 ppm1      0.938 ppm2      1.877
 OR { 4893}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 4893}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 4893}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 4893}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 4897}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HD2 ")
      3.300     3.300     0.000 peak  4897 weight  0.10000E+01 volume -0.33190E+01 ppm1      0.938 ppm2      1.682
 OR { 4897}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 4897}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 4897}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 4897}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HD2 ")
 ASSI { 2313}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "15  " and name "HD11")
      2.700     2.700     0.000 peak  2313 weight  0.10000E+01 volume -0.40810E+01 ppm1      0.941 ppm2      0.651
 OR { 2313}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "15  " and name "HD11")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "15  " and name "HD13")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "15  " and name "HD13")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "15  " and name "HD13")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "17  " and name "HG13")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "15  " and name "HD11")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG13")
 OR { 2313}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG11")
 ASSI { 2323}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  2323 weight  0.10000E+01 volume -0.34300E+00 ppm1      0.941 ppm2      1.573
 OR { 2323}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 2323}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 2323}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 2323}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 2323}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 2327}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  2327 weight  0.10000E+01 volume -0.19100E+00 ppm1      0.941 ppm2      3.101
 OR { 2327}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HE2 ")
 OR { 2327}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "29  " and name "HE2 ")
 OR { 2327}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2327}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "33  " and name "HE1 ")
 OR { 2327}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "33  " and name "HE2 ")
 ASSI { 2328}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  2328 weight  0.10000E+01 volume -0.19500E+00 ppm1      0.941 ppm2      4.577
 OR { 2328}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 2328}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 2328}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 2328}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 3378}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "2   " and name "HB2 ")
      6.000     6.000     0.000 peak  3378 weight  0.10000E+01 volume -0.10100E+00 ppm1      4.919 ppm2      1.678
 ASSI { 4918}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HG2 ")
      3.300     3.300     0.000 peak  4918 weight  0.10000E+01 volume -0.23600E+01 ppm1      1.955 ppm2      2.126
 ASSI { 2354}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HB1 ")
      3.300     3.300     0.000 peak  2354 weight  0.10000E+01 volume -0.21640E+01 ppm1      2.219 ppm2      1.942
 OR { 2354}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "2   " and name "HG2 ")
 ASSI { 2333}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HG2 ")
      2.700     2.700     0.000 peak  2333 weight  0.10000E+01 volume -0.78580E+01 ppm1      2.219 ppm2      2.126
 ASSI { 2355}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  2355 weight  0.10000E+01 volume -0.37600E+00 ppm1      2.219 ppm2      4.919
 ASSI { 2357}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "2   " and name "HG2 ")
      3.300     3.300     0.000 peak  2357 weight  0.10000E+01 volume -0.24040E+01 ppm1      2.113 ppm2      1.942
 OR { 2357}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HB1 ")
 ASSI { 2359}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  2359 weight  0.10000E+01 volume -0.40700E+00 ppm1      2.113 ppm2      4.919
 ASSI { 2394}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  2394 weight  0.10000E+01 volume -0.70000E-01 ppm1      0.651 ppm2      2.495
 OR { 2394}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 2394}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "1   " and name "HG1 ")
 ASSI { 2381}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "17  " and name "HG22")
      3.300     3.300     0.000 peak  2381 weight  0.10000E+01 volume -0.37360E+01 ppm1      0.651 ppm2      0.387
 OR { 2381}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "17  " and name "HG22")
 OR { 2381}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "17  " and name "HG22")
 OR { 2381}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "17  " and name "HG23")
 OR { 2381}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "17  " and name "HG21")
 OR { 2381}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "17  " and name "HG23")
 OR { 2381}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "17  " and name "HG21")
 OR { 2381}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "17  " and name "HG23")
 ASSI { 2386}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "29  " and name "HD2 ")
      5.000     5.000     0.000 peak  2386 weight  0.10000E+01 volume -0.88400E+00 ppm1      0.648 ppm2      1.696
 OR { 2386}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 2386}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 2386}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 2388}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "29  " and name "HD1 ")
      5.000     5.000     0.000 peak  2388 weight  0.10000E+01 volume -0.45000E+00 ppm1      0.651 ppm2      1.863
 OR { 2388}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2388}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 2382}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "17  " and name "HB  ")
      3.300     3.300     0.000 peak  2382 weight  0.10000E+01 volume -0.24920E+01 ppm1      0.651 ppm2      2.100
 OR { 2382}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "17  " and name "HB  ")
 OR { 2382}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "17  " and name "HB  ")
 ASSI { 2393}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  2393 weight  0.10000E+01 volume -0.11800E+00 ppm1      0.638 ppm2      3.101
 OR { 2393}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "29  " and name "HE2 ")
 OR { 2393}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "29  " and name "HE2 ")
 ASSI { 2391}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2391 weight  0.10000E+01 volume -0.11000E+00 ppm1      0.638 ppm2      4.919
 OR { 2391}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2391}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 2385}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "26  " and name "HD1 ")
      5.000     5.000     0.000 peak  2385 weight  0.10000E+01 volume -0.76800E+00 ppm1      0.651 ppm2      7.080
 OR { 2385}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 2385}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 2385}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 2395}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "3   " and name "HG23")
      3.300     3.300     0.000 peak  2395 weight  0.10000E+01 volume -0.35870E+01 ppm1      0.387 ppm2      0.598
 OR { 2395}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "17  " and name "HG13")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "3   " and name "HG11")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "3   " and name "HG22")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "3   " and name "HG21")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "3   " and name "HG12")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "17  " and name "HG13")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "3   " and name "HG21")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "3   " and name "HG11")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "3   " and name "HG22")
 OR { 2395}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "3   " and name "HG12")
 ASSI { 2404}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "5   " and name "HD13")
      6.000     6.000     0.000 peak  2404 weight  0.10000E+01 volume -0.13600E+00 ppm1      0.387 ppm2      0.782
 OR { 2404}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "5   " and name "HD13")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "5   " and name "HD12")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "5   " and name "HD12")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "5   " and name "HD11")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "5   " and name "HD12")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "5   " and name "HD13")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "5   " and name "HD11")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "5   " and name "HD11")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "43  " and name "HD22")
 OR { 2404}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "43  " and name "HD23")
 ASSI { 2402}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  2402 weight  0.10000E+01 volume -0.25900E+00 ppm1      0.387 ppm2      1.678
 OR { 2402}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 2402}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 2402}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 2402}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 2407}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "56  " and name "HB2 ")
      6.000     6.000     0.000 peak  2407 weight  0.10000E+01 volume -0.18300E+00 ppm1      0.387 ppm2      1.863
 OR { 2407}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 2407}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "29  " and name "HG1 ")
 ASSI { 2400}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  2400 weight  0.10000E+01 volume -0.65400E+00 ppm1      0.387 ppm2      2.495
 OR { 2400}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "1   " and name "HG1 ")
 ASSI { 2413}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  2413 weight  0.10000E+01 volume -0.71000E-01 ppm1      0.387 ppm2      4.788
 OR { 2413}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 2413}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "2   " and name "HA  ")
 ASSI { 2412}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2412 weight  0.10000E+01 volume -0.10400E+00 ppm1      0.387 ppm2      4.893
 OR { 2412}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2412}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 2406}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "56  " and name "HB2 ")
      6.000     6.000     0.000 peak  2406 weight  0.10000E+01 volume -0.19200E+00 ppm1      0.387 ppm2      1.889
 OR { 2406}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "63  " and name "HB1 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 2406}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "29  " and name "HG1 ")
 ASSI { 2410}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "1   " and name "HA  ")
      6.000     6.000     0.000 peak  2410 weight  0.10000E+01 volume -0.98000E-01 ppm1      0.387 ppm2      4.182
 OR { 2410}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 2410}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2410}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2410}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 2410}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 4971}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "18  " and name "HG2 ")
      5.000     5.000     0.000 peak  4971 weight  0.10000E+01 volume -0.89600E+00 ppm1      5.017 ppm2      2.200
 ASSI { 2422}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  2422 weight  0.10000E+01 volume -0.27000E+00 ppm1      5.012 ppm2      2.495
 ASSI { 2436}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HB1 ")
      5.000     5.000     0.000 peak  2436 weight  0.10000E+01 volume -0.16190E+01 ppm1      2.350 ppm2      2.100
 OR { 2436}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "1   " and name "HB1 ")
 ASSI { 2437}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HB2 ")
      5.000     5.000     0.000 peak  2437 weight  0.10000E+01 volume -0.12730E+01 ppm1      2.350 ppm2      1.652
 ASSI { 2435}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HG2 ")
      2.700     2.700     0.000 peak  2435 weight  0.10000E+01 volume -0.49380E+01 ppm1      2.350 ppm2      2.205
 ASSI { 2440}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "18  " and name "HB2 ")
      5.000     5.000     0.000 peak  2440 weight  0.10000E+01 volume -0.11210E+01 ppm1      2.205 ppm2      1.652
 ASSI { 2452}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  2452 weight  0.10000E+01 volume -0.22000E+00 ppm1      3.997 ppm2      1.652
 ASSI { 2453}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  2453 weight  0.10000E+01 volume -0.80000E-01 ppm1      3.984 ppm2      5.025
 ASSI { 2455}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HB2 ")
      2.700     2.700     0.000 peak  2455 weight  0.10000E+01 volume -0.48770E+01 ppm1      2.337 ppm2      2.021
 OR { 2455}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HG2 ")
 ASSI { 2458}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HB1 ")
      5.000     5.000     0.000 peak  2458 weight  0.10000E+01 volume -0.81400E+00 ppm1      2.337 ppm2      3.734
 ASSI { 2466}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE2 ")
      6.000     6.000     0.000 peak  2466 weight  0.10000E+01 volume -0.20100E+00 ppm1      2.021 ppm2      1.520
 OR { 2466}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2466}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 2463}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HG1 ")
      5.000     5.000     0.000 peak  2463 weight  0.10000E+01 volume -0.16320E+01 ppm1      2.021 ppm2      2.205
 ASSI { 2461}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      3.300     3.300     0.000 peak  2461 weight  0.10000E+01 volume -0.33420E+01 ppm1      2.021 ppm2      2.337
 ASSI { 2465}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HB1 ")
      5.000     5.000     0.000 peak  2465 weight  0.10000E+01 volume -0.84700E+00 ppm1      2.021 ppm2      3.734
 ASSI { 2482}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HG1 ")
      5.000     5.000     0.000 peak  2482 weight  0.10000E+01 volume -0.10720E+01 ppm1      4.024 ppm2      2.205
 OR { 2482}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "18  " and name "HG2 ")
 ASSI { 2489}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HG2 ")
      5.000     5.000     0.000 peak  2489 weight  0.10000E+01 volume -0.14000E+01 ppm1      3.734 ppm2      2.021
 OR { 2489}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "1   " and name "HB2 ")
 OR { 2489}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HB2 ")
 ASSI { 2491}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  2491 weight  0.10000E+01 volume -0.36000E+00 ppm1      3.734 ppm2      2.337
 OR { 2491}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "18  " and name "HG1 ")
 ASSI { 2469}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HG1 ")
      3.300     3.300     0.000 peak  2469 weight  0.10000E+01 volume -0.30000E+01 ppm1      2.021 ppm2      2.205
 ASSI { 2473}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  2473 weight  0.10000E+01 volume -0.18790E+01 ppm1      2.021 ppm2      2.337
 ASSI { 2477}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HD2 ")
      5.000     5.000     0.000 peak  2477 weight  0.10000E+01 volume -0.10500E+01 ppm1      2.018 ppm2      3.737
 ASSI { 2476}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2476 weight  0.10000E+01 volume -0.10660E+01 ppm1      2.015 ppm2      4.003
 OR { 2476}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 2507}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HG23")
      6.000     6.000     0.000 peak  2507 weight  0.10000E+01 volume -0.10500E+00 ppm1      3.773 ppm2      1.151
 OR { 2507}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 2507}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HG22")
 ASSI { 2504}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HG23")
      6.000     6.000     0.000 peak  2504 weight  0.10000E+01 volume -0.14000E+00 ppm1      4.142 ppm2      1.151
 OR { 2504}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 2504}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HG22")
 ASSI { 2509}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  2509 weight  0.10000E+01 volume -0.77000E-01 ppm1      4.669 ppm2      2.917
 OR { 2509}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 2522}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  2522 weight  0.10000E+01 volume -0.16000E+00 ppm1      2.601 ppm2      1.678
 OR { 2522}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HB2 ")
 OR { 2522}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HD2 ")
 ASSI { 2516}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HB2 ")
      3.300     3.300     0.000 peak  2516 weight  0.10000E+01 volume -0.34610E+01 ppm1      2.574 ppm2      2.917
 ASSI { 2520}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB1 ")
      5.000     5.000     0.000 peak  2520 weight  0.10000E+01 volume -0.36800E+00 ppm1      2.601 ppm2      3.075
 ASSI { 2513}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  2513 weight  0.10000E+01 volume -0.28600E+00 ppm1      2.917 ppm2      1.678
 OR { 2513}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HB2 ")
 ASSI { 2527}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  2527 weight  0.10000E+01 volume -0.15100E+00 ppm1      1.336 ppm2      4.471
 OR { 2527}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 2527}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "55  " and name "HB  ")
 ASSI { 2529}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "53  " and name "HA2 ")
      6.000     6.000     0.000 peak  2529 weight  0.10000E+01 volume -0.89000E-01 ppm1      1.336 ppm2      3.944
 OR { 2529}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "53  " and name "HA2 ")
 OR { 2529}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "53  " and name "HA2 ")
 ASSI { 2538}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
      6.000     6.000     0.000 peak  2538 weight  0.10000E+01 volume -0.12000E+00 ppm1      3.589 ppm2      1.652
 OR { 2538}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 2538}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG  ")
 ASSI { 2540}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  2540 weight  0.10000E+01 volume -0.86000E-01 ppm1      3.576 ppm2      4.392
 OR { 2540}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 2582}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HD12")
      6.000     6.000     0.000 peak  2582 weight  0.10000E+01 volume -0.29300E+00 ppm1      0.848 ppm2      0.572
 OR { 2582}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HD13")
 OR { 2582}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HD13")
 OR { 2582}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HD12")
 OR { 2582}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 2584}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  2584 weight  0.10000E+01 volume -0.19400E+00 ppm1      0.848 ppm2      0.150
 OR { 2584}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HD21")
 OR { 2584}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HD23")
 OR { 2584}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 2580}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HD2 ")
      5.000     5.000     0.000 peak  2580 weight  0.10000E+01 volume -0.83600E+00 ppm1      0.848 ppm2      1.652
 OR { 2580}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 2580}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 2580}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 2580}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 2580}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI { 2591}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HB2 ")
      6.000     6.000     0.000 peak  2591 weight  0.10000E+01 volume -0.13900E+00 ppm1      0.848 ppm2      2.021
 OR { 2591}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 2591}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 2591}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 2591}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "24  " and name "HB2 ")
 ASSI { 2573}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "23  " and name "HB  ")
      3.300     3.300     0.000 peak  2573 weight  0.10000E+01 volume -0.22570E+01 ppm1      0.848 ppm2      2.284
 OR { 2573}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 2573}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 2590}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "26  " and name "HB2 ")
      6.000     6.000     0.000 peak  2590 weight  0.10000E+01 volume -0.90000E-01 ppm1      0.861 ppm2      3.207
 OR { 2590}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 2590}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 2537}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "23  " and name "HG11")
      2.700     2.700     0.000 peak  2537 weight  0.10000E+01 volume -0.41690E+01 ppm1      1.059 ppm2      0.835
 OR { 2537}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "23  " and name "HG12")
 OR { 2537}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "23  " and name "HG13")
 OR { 2537}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "23  " and name "HG11")
 OR { 2537}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "23  " and name "HG12")
 OR { 2537}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "23  " and name "HG13")
 OR { 2537}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "23  " and name "HG11")
 OR { 2537}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 2553}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HD22")
      5.000     5.000     0.000 peak  2553 weight  0.10000E+01 volume -0.48000E+00 ppm1      1.059 ppm2      0.150
 OR { 2553}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HD22")
 OR { 2553}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HD23")
 OR { 2553}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HD23")
 OR { 2553}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HD22")
 ASSI { 2556}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HD12")
      5.000     5.000     0.000 peak  2556 weight  0.10000E+01 volume -0.50300E+00 ppm1      1.059 ppm2      0.572
 OR { 2556}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HD13")
 OR { 2556}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HD13")
 OR { 2556}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 2554}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     5.000     0.000 peak  2554 weight  0.10000E+01 volume -0.64000E+00 ppm1      1.059 ppm2      1.520
 OR { 2554}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HB2 ")
 OR { 2554}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 2562}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HG2 ")
      6.000     6.000     0.000 peak  2562 weight  0.10000E+01 volume -0.26900E+00 ppm1      1.059 ppm2      1.678
 OR { 2562}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HG2 ")
 OR { 2562}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 2562}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 2562}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HG2 ")
 OR { 2562}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "56  " and name "HG  ")
 ASSI { 2568}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HG1 ")
      6.000     6.000     0.000 peak  2568 weight  0.10000E+01 volume -0.16700E+00 ppm1      1.059 ppm2      1.916
 OR { 2568}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 2541}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "23  " and name "HB  ")
      3.300     3.300     0.000 peak  2541 weight  0.10000E+01 volume -0.24440E+01 ppm1      1.059 ppm2      2.284
 OR { 2541}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 2541}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 2551}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HB2 ")
      5.000     5.000     0.000 peak  2551 weight  0.10000E+01 volume -0.95300E+00 ppm1      1.059 ppm2      2.390
 OR { 2551}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 2551}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 2551}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 2551}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 2572}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "27  " and name "HE2 ")
      6.000     6.000     0.000 peak  2572 weight  0.10000E+01 volume -0.92000E-01 ppm1      1.072 ppm2      2.627
 OR { 2572}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "27  " and name "HE2 ")
 OR { 2572}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "27  " and name "HE2 ")
 OR { 2572}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 2572}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "52  " and name "HB1 ")
 OR { 2572}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "52  " and name "HB1 ")
 OR { 2572}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 2572}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "52  " and name "HB1 ")
 ASSI { 2570}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "26  " and name "HB2 ")
      6.000     6.000     0.000 peak  2570 weight  0.10000E+01 volume -0.13000E+00 ppm1      1.059 ppm2      3.180
 OR { 2570}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 2570}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 2570}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 2570}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 2570}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 2570}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HD1 ")
 ASSI { 2567}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HA  ")
      6.000     6.000     0.000 peak  2567 weight  0.10000E+01 volume -0.19500E+00 ppm1      1.059 ppm2      4.814
 OR { 2567}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HA  ")
 OR { 2567}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HA  ")
 OR { 2567}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2567}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2567}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 2597}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB1 ")
      6.000     6.000     0.000 peak  2597 weight  0.10000E+01 volume -0.25500E+00 ppm1      3.944 ppm2      2.258
 OR { 2597}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 2600}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  2600 weight  0.10000E+01 volume -0.69000E-01 ppm1      3.944 ppm2      3.576
 OR { 2600}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 2601}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     6.000     0.000 peak  2601 weight  0.10000E+01 volume -0.64000E-01 ppm1      3.944 ppm2      4.551
 OR { 2601}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 2607}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HB1 ")
      6.000     6.000     0.000 peak  2607 weight  0.10000E+01 volume -0.14000E+00 ppm1      2.087 ppm2      2.653
 ASSI { 2606}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HB  ")
      6.000     6.000     0.000 peak  2606 weight  0.10000E+01 volume -0.90000E-01 ppm1      2.087 ppm2      4.814
 ASSI { 2608}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HB  ")
      6.000     6.000     0.000 peak  2608 weight  0.10000E+01 volume -0.94000E-01 ppm1      2.034 ppm2      4.814
 ASSI { 2610}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "24  " and name "HG2 ")
      3.300     3.300     0.000 peak  2610 weight  0.10000E+01 volume -0.36360E+01 ppm1      2.522 ppm2      2.363
 ASSI { 2623}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HA  ")
      6.000     6.000     0.000 peak  2623 weight  0.10000E+01 volume -0.12200E+00 ppm1      3.088 ppm2      4.682
 ASSI { 2626}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  2626 weight  0.10000E+01 volume -0.33900E+00 ppm1      2.930 ppm2      2.601
 ASSI { 2633}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HG2 ")
      6.000     6.000     0.000 peak  2633 weight  0.10000E+01 volume -0.13300E+00 ppm1      4.551 ppm2      1.573
 ASSI { 2630}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HG1 ")
      5.000     5.000     0.000 peak  2630 weight  0.10000E+01 volume -0.44100E+00 ppm1      4.551 ppm2      1.889
 OR { 2630}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 2632}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  2632 weight  0.10000E+01 volume -0.37100E+00 ppm1      4.551 ppm2      2.205
 ASSI { 2627}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD1 ")
      5.000     5.000     0.000 peak  2627 weight  0.10000E+01 volume -0.90500E+00 ppm1      4.551 ppm2      7.080
 OR { 2627}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 2637}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD23")
      6.000     6.000     0.000 peak  2637 weight  0.10000E+01 volume -0.22300E+00 ppm1      3.562 ppm2      0.308
 OR { 2637}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2637}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2637}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 2663}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD13")
      5.000     5.000     0.000 peak  2663 weight  0.10000E+01 volume -0.35500E+00 ppm1      7.067 ppm2      0.396
 OR { 2663}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HG22")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG22")
 OR { 2663}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 2657}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HG11")
      5.000     5.000     0.000 peak  2657 weight  0.10000E+01 volume -0.78300E+00 ppm1      7.067 ppm2      0.651
 OR { 2657}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2657}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HG13")
 OR { 2657}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2657}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG12")
 ASSI { 2666}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HD1 ")
      6.000     6.000     0.000 peak  2666 weight  0.10000E+01 volume -0.15600E+00 ppm1      7.067 ppm2      1.863
 OR { 2666}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2666}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2666}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2666}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 2682}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  2682 weight  0.10000E+01 volume -0.15700E+00 ppm1      6.883 ppm2      1.204
 OR { 2682}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2682}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG12")
 ASSI { 2675}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  2675 weight  0.10000E+01 volume -0.97000E-01 ppm1      6.896 ppm2      4.551
 OR { 2675}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 5219}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "5   " and name "HD12")
      5.000     5.000     0.000 peak  5219 weight  0.10000E+01 volume -0.74300E+00 ppm1      6.891 ppm2      0.750
 OR { 5219}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 5219}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "5   " and name "HD13")
 OR { 5219}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5219}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "5   " and name "HD12")
 OR { 5219}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "5   " and name "HD13")
 OR { 5219}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 2681}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG11")
      6.000     6.000     0.000 peak  2681 weight  0.10000E+01 volume -0.13500E+00 ppm1      6.883 ppm2      1.362
 OR { 2681}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "30  " and name "HG11")
 OR { 2681}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "30  " and name "HG11")
 ASSI { 2678}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HB  ")
      6.000     6.000     0.000 peak  2678 weight  0.10000E+01 volume -0.16000E+00 ppm1      6.883 ppm2      1.863
 OR { 2678}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2678}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2678}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 2678}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2678}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 5189}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HD11")
      5.000     5.000     0.000 peak  5189 weight  0.10000E+01 volume -0.10250E+01 ppm1      6.813 ppm2      0.655
 OR { 5189}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 5189}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 5189}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "15  " and name "HD13")
 OR { 5189}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "15  " and name "HD11")
 OR { 5189}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "15  " and name "HD12")
 ASSI { 2287}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG12")
      6.000     6.000     0.000 peak  2287 weight  0.10000E+01 volume -0.16400E+00 ppm1      4.379 ppm2      0.334
 ASSI { 2290}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB1 ")
      6.000     6.000     0.000 peak  2290 weight  0.10000E+01 volume -0.12100E+00 ppm1      4.379 ppm2      2.258
 OR { 2290}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 2686}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HD2 ")
      5.000     5.000     0.000 peak  2686 weight  0.10000E+01 volume -0.15550E+01 ppm1      1.428 ppm2      1.626
 OR { 2686}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 2686}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 2686}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HG2 ")
 ASSI { 2673}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HB2 ")
      5.000     5.000     0.000 peak  2673 weight  0.10000E+01 volume -0.17660E+01 ppm1      1.428 ppm2      2.021
 ASSI { 2688}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     5.000     0.000 peak  2688 weight  0.10000E+01 volume -0.35700E+00 ppm1      1.428 ppm2      2.258
 ASSI { 2718}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HB2 ")
      6.000     6.000     0.000 peak  2718 weight  0.10000E+01 volume -0.15500E+00 ppm1      2.746 ppm2      2.021
 OR { 2718}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 2709}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HE2 ")
      2.700     2.700     0.000 peak  2709 weight  0.10000E+01 volume -0.40300E+01 ppm1      2.759 ppm2      2.601
 ASSI { 2717}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     6.000     0.000 peak  2717 weight  0.10000E+01 volume -0.72000E-01 ppm1      2.759 ppm2      4.076
 OR { 2717}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 2719}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  2719 weight  0.10000E+01 volume -0.10800E+00 ppm1      2.759 ppm2      4.392
 OR { 2719}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 2719}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HA  ")
 ASSI { 2723}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  2723 weight  0.10000E+01 volume -0.11000E+00 ppm1      2.614 ppm2      4.392
 OR { 2723}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 2723}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 2723}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "39  " and name "HA  ")
 ASSI { 2724}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "41  " and name "HB1 ")
      6.000     6.000     0.000 peak  2724 weight  0.10000E+01 volume -0.11800E+00 ppm1      2.614 ppm2      1.784
 ASSI { 2693}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB2 ")
      5.000     5.000     0.000 peak  2693 weight  0.10000E+01 volume -0.76800E+00 ppm1      1.626 ppm2      2.021
 ASSI { 2694}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HD12")
      5.000     5.000     0.000 peak  2694 weight  0.10000E+01 volume -0.82300E+00 ppm1      1.612 ppm2      0.809
 OR { 2694}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2694}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 2694}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 2734}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "31  " and name "HG1 ")
      6.000     6.000     0.000 peak  2734 weight  0.10000E+01 volume -0.24300E+00 ppm1      4.168 ppm2      2.258
 OR { 2734}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 2736}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HG1 ")
      5.000     5.000     0.000 peak  2736 weight  0.10000E+01 volume -0.46400E+00 ppm1      1.639 ppm2      1.863
 OR { 2736}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2736}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2736}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "31  " and name "HB2 ")
 OR { 2736}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HB2 ")
 OR { 2736}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2736}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HB2 ")
 OR { 2736}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 2737}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "27  " and name "HB2 ")
      6.000     6.000     0.000 peak  2737 weight  0.10000E+01 volume -0.25400E+00 ppm1      1.639 ppm2      2.021
 OR { 2737}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 2737}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 2737}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 2737}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 2737}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 2739}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HG1 ")
      6.000     6.000     0.000 peak  2739 weight  0.10000E+01 volume -0.23700E+00 ppm1      1.639 ppm2      2.205
 OR { 2739}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HG1 ")
 OR { 2739}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HG1 ")
 OR { 2739}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 2739}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 2739}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 2741}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "25  " and name "HB2 ")
      6.000     6.000     0.000 peak  2741 weight  0.10000E+01 volume -0.12400E+00 ppm1      1.626 ppm2      2.943
 OR { 2741}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 2741}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 2738}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "25  " and name "HB1 ")
      6.000     6.000     0.000 peak  2738 weight  0.10000E+01 volume -0.13200E+00 ppm1      1.639 ppm2      3.075
 OR { 2738}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 2738}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 2738}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "29  " and name "HE2 ")
 OR { 2738}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HE2 ")
 OR { 2738}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HE2 ")
 ASSI { 2744}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     6.000     0.000 peak  2744 weight  0.10000E+01 volume -0.98000E-01 ppm1      1.626 ppm2      3.734
 OR { 2744}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 2744}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 2744}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HD2 ")
 OR { 2744}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 2745}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HG1 ")
      5.000     5.000     0.000 peak  2745 weight  0.10000E+01 volume  0.10000E+01 ppm1      4.182 ppm2      1.889
 OR { 2745}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2745}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 2755}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  2755 weight  0.10000E+01 volume -0.90000E+00 ppm1      1.889 ppm2      1.573
 ASSI { 2759}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HD12")
      6.000     6.000     0.000 peak  2759 weight  0.10000E+01 volume -0.17500E+00 ppm1      1.889 ppm2      0.651
 OR { 2759}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HD11")
 OR { 2759}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HD13")
 OR { 2759}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HG11")
 ASSI { 2760}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  2760 weight  0.10000E+01 volume -0.93000E-01 ppm1      1.876 ppm2      3.075
 OR { 2760}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HE2 ")
 ASSI { 2706}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HB1 ")
      2.700     2.700     0.000 peak  2706 weight  0.10000E+01 volume -0.51590E+01 ppm1      2.205 ppm2      1.889
 OR { 2706}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2706}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HG1 ")
 ASSI { 2752}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HD11")
      6.000     6.000     0.000 peak  2752 weight  0.10000E+01 volume -0.14700E+00 ppm1      2.219 ppm2      0.651
 OR { 2752}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HD12")
 OR { 2752}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HD13")
 OR { 2752}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG13")
 OR { 2752}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG11")
 ASSI { 2763}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HD2 ")
      5.000     5.000     0.000 peak  2763 weight  0.10000E+01 volume -0.98700E+00 ppm1      1.836 ppm2      1.678
 ASSI { 2761}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HG2 ")
      3.300     3.300     0.000 peak  2761 weight  0.10000E+01 volume -0.22190E+01 ppm1      1.850 ppm2      1.573
 ASSI { 2764}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  2764 weight  0.10000E+01 volume -0.77200E+00 ppm1      1.850 ppm2      2.205
 ASSI { 2794}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "33  " and name "HD1 ")
      6.000     6.000     0.000 peak  2794 weight  0.10000E+01 volume -0.13600E+00 ppm1      3.325 ppm2      1.705
 OR { 2794}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "33  " and name "HD2 ")
 ASSI { 2796}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB2 ")
      6.000     6.000     0.000 peak  2796 weight  0.10000E+01 volume -0.87000E-01 ppm1      3.325 ppm2      2.232
 OR { 2796}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "34  " and name "HB1 ")
 ASSI { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD11")
      6.000     6.000     0.000 peak  2792 weight  0.10000E+01 volume -0.20600E+00 ppm1      3.325 ppm2      0.782
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD12")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD13")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 2792}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD11")
 ASSI { 2824}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "5   " and name "HD13")
      2.700     2.700     0.000 peak  2824 weight  0.10000E+01 volume -0.47680E+01 ppm1      0.045 ppm2      0.756
 OR { 2824}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "5   " and name "HD11")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD21")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD23")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "43  " and name "HD21")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD22")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD22")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD21")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "43  " and name "HD22")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD23")
 OR { 2824}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "43  " and name "HD12")
 ASSI { 2844}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "67  " and name "HG22")
      5.000     5.000     0.000 peak  2844 weight  0.10000E+01 volume -0.37500E+00 ppm1      0.045 ppm2      0.967
 OR { 2844}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "67  " and name "HG21")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "67  " and name "HG21")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "67  " and name "HG22")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "67  " and name "HG21")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "67  " and name "HG23")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "67  " and name "HG23")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "67  " and name "HG22")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "67  " and name "HG23")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2844}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "13  " and name "HG12")
 ASSI { 2846}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "27  " and name "HG1 ")
      5.000     5.000     0.000 peak  2846 weight  0.10000E+01 volume -0.36100E+00 ppm1      0.045 ppm2      1.599
 OR { 2846}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 2846}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 2846}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 2846}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 2846}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 2846}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 2846}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 2846}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "41  " and name "HG2 ")
 ASSI { 2848}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  2848 weight  0.10000E+01 volume -0.30300E+00 ppm1      0.045 ppm2      1.863
 OR { 2848}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "33  " and name "HB2 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "31  " and name "HB2 ")
 OR { 2848}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 2853}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "29  " and name "HB2 ")
      6.000     6.000     0.000 peak  2853 weight  0.10000E+01 volume -0.91000E-01 ppm1      0.045 ppm2      2.232
 OR { 2853}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 2853}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 2853}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "38  " and name "HG1 ")
 OR { 2853}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 2853}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 2853}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "38  " and name "HG1 ")
 OR { 2853}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 2810}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "5   " and name "HD11")
      6.000     6.000     0.000 peak  2810 weight  0.10000E+01 volume -0.24500E+00 ppm1      1.323 ppm2      0.756
 OR { 2810}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "5   " and name "HD12")
 OR { 2810}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "5   " and name "HD13")
 OR { 2810}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2810}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "43  " and name "HD21")
 OR { 2810}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2810}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2810}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "43  " and name "HD23")
 ASSI { 2809}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "15  " and name "HG21")
      6.000     6.000     0.000 peak  2809 weight  0.10000E+01 volume -0.91000E-01 ppm1      1.309 ppm2      0.941
 OR { 2809}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2809}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2809}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "13  " and name "HG13")
 ASSI { 5322}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "5   " and name "HD23")
      5.000     5.000     0.000 peak  5322 weight  0.10000E+01 volume -0.57400E+00 ppm1      0.329 ppm2      0.652
 OR { 5322}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "5   " and name "HD22")
 OR { 5322}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "5   " and name "HD21")
 OR { 5322}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "15  " and name "HD12")
 ASSI { 2818}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "5   " and name "HD11")
      5.000     5.000     0.000 peak  2818 weight  0.10000E+01 volume -0.34100E+00 ppm1      0.334 ppm2      0.756
 OR { 2818}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "5   " and name "HD13")
 OR { 2818}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "5   " and name "HD12")
 OR { 2818}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2818}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "43  " and name "HD22")
 OR { 2818}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "43  " and name "HD11")
 ASSI { 2820}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "69  " and name "HD13")
      3.300     3.300     0.000 peak  2820 weight  0.10000E+01 volume -0.20790E+01 ppm1      0.532 ppm2      0.809
 OR { 2820}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "69  " and name "HD12")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "69  " and name "HD13")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "69  " and name "HD12")
 OR { 2820}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "69  " and name "HD23")
 ASSI { 2823}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "69  " and name "HD13")
      5.000     5.000     0.000 peak  2823 weight  0.10000E+01 volume -0.10470E+01 ppm1      0.532 ppm2      0.888
 OR { 2823}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "69  " and name "HD12")
 OR { 2823}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "69  " and name "HD13")
 OR { 2823}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "69  " and name "HD13")
 OR { 2823}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2823}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2823}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "69  " and name "HD12")
 ASSI { 2831}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "33  " and name "HB2 ")
      5.000     5.000     0.000 peak  2831 weight  0.10000E+01 volume -0.37700E+00 ppm1      0.532 ppm2      1.863
 OR { 2831}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "33  " and name "HB2 ")
 OR { 2831}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "33  " and name "HB2 ")
 OR { 2831}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 2831}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 2831}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "31  " and name "HB2 ")
 OR { 2831}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 2829}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak  2829 weight  0.10000E+01 volume -0.39300E+00 ppm1      0.519 ppm2      2.284
 OR { 2829}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "34  " and name "HB1 ")
 OR { 2829}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "34  " and name "HB1 ")
 OR { 2829}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "31  " and name "HG1 ")
 ASSI { 2836}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "41  " and name "HG1 ")
      6.000     6.000     0.000 peak  2836 weight  0.10000E+01 volume -0.11600E+00 ppm1      0.532 ppm2      2.495
 OR { 2836}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 2836}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "41  " and name "HG1 ")
 ASSI { 2834}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "34  " and name "HA  ")
      6.000     6.000     0.000 peak  2834 weight  0.10000E+01 volume -0.96000E-01 ppm1      0.532 ppm2      4.498
 OR { 2834}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 2834}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 2834}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 2834}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 2856}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG22")
      6.000     6.000     0.000 peak  2856 weight  0.10000E+01 volume  0.72000E-01 ppm1      3.786 ppm2      0.519
 OR { 2856}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 2856}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 2860}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HB  ")
      6.000     6.000     0.000 peak  2860 weight  0.10000E+01 volume  0.34000E-01 ppm1      3.786 ppm2      1.494
 ASSI { 2859}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "34  " and name "HB2 ")
      6.000     6.000     0.000 peak  2859 weight  0.10000E+01 volume  0.44000E-01 ppm1      3.786 ppm2      1.626
 OR { 2859}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "38  " and name "HG2 ")
 ASSI { 2857}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "35  " and name "HA1 ")
      6.000     6.000     0.000 peak  2857 weight  0.10000E+01 volume  0.82000E-01 ppm1      3.786 ppm2      4.155
 ASSI { 2865}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HG1 ")
      5.000     5.000     0.000 peak  2865 weight  0.10000E+01 volume -0.90000E+00 ppm1      1.889 ppm2      2.258
 ASSI { 2847}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HG2 ")
      3.300     3.300     0.000 peak  2847 weight  0.10000E+01 volume -0.35040E+01 ppm1      2.258 ppm2      1.889
 OR { 2847}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 2870}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  2870 weight  0.10000E+01 volume -0.48500E+00 ppm1      2.271 ppm2      3.786
 ASSI { 2872}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HA  ")
      6.000     6.000     0.000 peak  2872 weight  0.10000E+01 volume -0.11500E+00 ppm1      2.258 ppm2      4.313
 ASSI { 2892}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HG1 ")
      3.300     3.300     0.000 peak  2892 weight  0.10000E+01 volume -0.28490E+01 ppm1      1.902 ppm2      2.258
 ASSI { 2901}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  2901 weight  0.10000E+01 volume -0.22000E+00 ppm1      1.902 ppm2      4.603
 ASSI { 2885}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HG1 ")
      6.000     6.000     0.000 peak  2885 weight  0.10000E+01 volume -0.13000E+00 ppm1      2.825 ppm2      1.599
 OR { 2885}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 2885}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 2885}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB1 ")
 ASSI { 2884}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HG2 ")
      6.000     6.000     0.000 peak  2884 weight  0.10000E+01 volume -0.14700E+00 ppm1      2.825 ppm2      1.863
 OR { 2884}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2884}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HB2 ")
 OR { 2884}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2884}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 2871}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HB2 ")
      2.700     2.700     0.000 peak  2871 weight  0.10000E+01 volume -0.71550E+01 ppm1      2.838 ppm2      2.732
 ASSI { 2889}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HG1 ")
      6.000     6.000     0.000 peak  2889 weight  0.10000E+01 volume -0.10700E+00 ppm1      2.759 ppm2      1.599
 OR { 2889}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 2889}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HB1 ")
 ASSI { 2899}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HD12")
      6.000     6.000     0.000 peak  2899 weight  0.10000E+01 volume -0.26400E+00 ppm1      1.942 ppm2      0.651
 OR { 2899}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HD13")
 OR { 2899}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HD11")
 OR { 2899}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD21")
 ASSI { 2903}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HG11")
      6.000     6.000     0.000 peak  2903 weight  0.10000E+01 volume -0.10900E+00 ppm1      1.942 ppm2      0.941
 OR { 2903}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2903}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HG12")
 ASSI { 2877}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HB2 ")
      2.700     2.700     0.000 peak  2877 weight  0.10000E+01 volume -0.84580E+01 ppm1      1.929 ppm2      1.863
 ASSI { 2902}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HE2 ")
      6.000     6.000     0.000 peak  2902 weight  0.10000E+01 volume -0.93000E-01 ppm1      1.942 ppm2      3.101
 OR { 2902}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HE1 ")
 ASSI { 2923}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HB1 ")
      5.000     5.000     0.000 peak  2923 weight  0.10000E+01 volume -0.45400E+00 ppm1      1.718 ppm2      1.942
 OR { 2923}
     (segid "    " and resid "33  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 2917}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HE2 ")
      5.000     5.000     0.000 peak  2917 weight  0.10000E+01 volume -0.87000E+00 ppm1      1.718 ppm2      3.101
 OR { 2917}
     (segid "    " and resid "33  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HE1 ")
 OR { 2917}
     (segid "    " and resid "33  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2917}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HE1 ")
 ASSI { 2919}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HB2 ")
      5.000     5.000     0.000 peak  2919 weight  0.10000E+01 volume -0.77400E+00 ppm1      1.718 ppm2      1.863
 OR { 2919}
     (segid "    " and resid "33  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HB2 ")
 ASSI { 2930}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HD12")
      5.000     5.000     0.000 peak  2930 weight  0.10000E+01 volume -0.36200E+00 ppm1      3.114 ppm2      0.651
 OR { 2930}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HD11")
 OR { 2930}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HD13")
 ASSI { 2929}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG23")
      5.000     5.000     0.000 peak  2929 weight  0.10000E+01 volume -0.67600E+00 ppm1      3.101 ppm2      0.941
 OR { 2929}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2929}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG11")
 OR { 2929}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2929}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 2929}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG12")
 OR { 2929}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2929}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HG12")
 ASSI { 2934}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG12")
      6.000     6.000     0.000 peak  2934 weight  0.10000E+01 volume -0.87000E-01 ppm1      3.114 ppm2      1.257
 OR { 2934}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG12")
 ASSI { 2932}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HB  ")
      6.000     6.000     0.000 peak  2932 weight  0.10000E+01 volume -0.26200E+00 ppm1      3.114 ppm2      2.153
 OR { 2932}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2932}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "16  " and name "HG2 ")
 ASSI { 2933}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HA  ")
      6.000     6.000     0.000 peak  2933 weight  0.10000E+01 volume -0.80000E-01 ppm1      3.114 ppm2      4.313
 OR { 2933}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "33  " and name "HA  ")
 ASSI { 2873}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HB1 ")
      3.300     3.300     0.000 peak  2873 weight  0.10000E+01 volume -0.26920E+01 ppm1      1.665 ppm2      2.284
 ASSI { 2949}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  2949 weight  0.10000E+01 volume -0.50700E+00 ppm1      1.665 ppm2      4.471
 ASSI { 2953}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HB1 ")
      3.300     3.300     0.000 peak  2953 weight  0.10000E+01 volume -0.21340E+01 ppm1      2.008 ppm2      2.284
 OR { 2953}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HB1 ")
 ASSI { 2971}
     (segid "    " and resid "35  " and name "HA2 ")
     (segid "    " and resid "31  " and name "HG1 ")
      6.000     6.000     0.000 peak  2971 weight  0.10000E+01 volume -0.10500E+00 ppm1      3.931 ppm2      2.258
 ASSI { 2973}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG1 ")
      6.000     6.000     0.000 peak  2973 weight  0.10000E+01 volume -0.10000E+00 ppm1      4.498 ppm2      2.469
 OR { 2973}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 2976}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HD13")
      5.000     5.000     0.000 peak  2976 weight  0.10000E+01 volume -0.83400E+00 ppm1      1.481 ppm2      0.782
 OR { 2976}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2976}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HD12")
 ASSI { 3015}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "30  " and name "HG23")
      5.000     5.000     0.000 peak  3015 weight  0.10000E+01 volume -0.32600E+00 ppm1      0.796 ppm2      0.519
 OR { 3015}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3015}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3015}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3015}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3015}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3015}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 3008}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG21")
      3.300     3.300     0.000 peak  3008 weight  0.10000E+01 volume -0.33200E+01 ppm1      0.796 ppm2      0.914
 OR { 3008}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3008}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3008}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG23")
 OR { 3008}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3008}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3008}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG23")
 OR { 3008}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "71  " and name "HD22")
 OR { 3008}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "71  " and name "HD23")
 OR { 3008}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG23")
 ASSI { 3020}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "8   " and name "HG  ")
      6.000     6.000     0.000 peak  3020 weight  0.10000E+01 volume -0.29300E+00 ppm1      0.796 ppm2      1.810
 OR { 3020}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "8   " and name "HG  ")
 OR { 3020}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "8   " and name "HG  ")
 OR { 3020}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 3020}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "40  " and name "HB2 ")
 OR { 3020}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 3020}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 3020}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "40  " and name "HB2 ")
 ASSI { 2987}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "34  " and name "HB1 ")
      6.000     6.000     0.000 peak  2987 weight  0.10000E+01 volume -0.20600E+00 ppm1      1.375 ppm2      2.284
 ASSI { 2990}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "36  " and name "HG23")
      5.000     5.000     0.000 peak  2990 weight  0.10000E+01 volume -0.58400E+00 ppm1      1.138 ppm2      0.888
 OR { 2990}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2990}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "36  " and name "HG21")
 ASSI { 3003}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "30  " and name "HG23")
      5.000     5.000     0.000 peak  3003 weight  0.10000E+01 volume -0.37200E+00 ppm1      0.901 ppm2      0.519
 OR { 3003}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3003}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3003}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3003}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3003}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3003}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3003}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 2984}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "36  " and name "HD12")
      3.300     3.300     0.000 peak  2984 weight  0.10000E+01 volume -0.28400E+01 ppm1      0.901 ppm2      0.782
 OR { 2984}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2984}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2984}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2984}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2984}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2984}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "36  " and name "HD12")
 ASSI { 2998}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "36  " and name "HG11")
      5.000     5.000     0.000 peak  2998 weight  0.10000E+01 volume -0.85800E+00 ppm1      0.901 ppm2      1.362
 OR { 2998}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "36  " and name "HG11")
 OR { 2998}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 3005}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HB2 ")
      5.000     5.000     0.000 peak  3005 weight  0.10000E+01 volume -0.32100E+00 ppm1      0.901 ppm2      1.942
 OR { 3005}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HB2 ")
 OR { 3005}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 3005}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 3005}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 3005}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HB2 ")
 ASSI { 2995}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  2995 weight  0.10000E+01 volume -0.16550E+01 ppm1      0.905 ppm2      2.478
 OR { 2995}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 2995}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HG1 ")
 ASSI { 3030}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HD1 ")
      6.000     6.000     0.000 peak  3030 weight  0.10000E+01 volume -0.80000E-01 ppm1      4.603 ppm2      4.155
 ASSI { 3048}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HB2 ")
      6.000     6.000     0.000 peak  3048 weight  0.10000E+01 volume -0.18900E+00 ppm1      4.142 ppm2      1.784
 ASSI { 3046}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HB1 ")
      5.000     5.000     0.000 peak  3046 weight  0.10000E+01 volume -0.36300E+00 ppm1      4.140 ppm2      2.395
 OR { 3046}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 3046}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HG1 ")
 ASSI { 3065}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HG11")
      6.000     6.000     0.000 peak  3065 weight  0.10000E+01 volume -0.95000E-01 ppm1      3.562 ppm2      1.362
 ASSI { 3064}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HG12")
      6.000     6.000     0.000 peak  3064 weight  0.10000E+01 volume -0.92000E-01 ppm1      3.562 ppm2      1.125
 ASSI { 3072}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HB2 ")
      6.000     6.000     0.000 peak  3072 weight  0.10000E+01 volume -0.22500E+00 ppm1      2.060 ppm2      1.784
 ASSI { 3085}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  3085 weight  0.10000E+01 volume -0.71000E-01 ppm1      4.050 ppm2      4.603
 ASSI { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
      6.000     6.000     0.000 peak  3083 weight  0.10000E+01 volume -0.12700E+00 ppm1      4.063 ppm2      0.809
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3083}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD13")
 ASSI { 5529}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  5529 weight  0.10000E+01 volume -0.18540E+01 ppm1      4.056 ppm2      1.610
 OR { 5529}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 5529}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI { 3084}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  3084 weight  0.10000E+01 volume -0.98000E-01 ppm1      4.063 ppm2      2.759
 ASSI { 3089}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HG2 ")
      5.000     5.000     0.000 peak  3089 weight  0.10000E+01 volume -0.85600E+00 ppm1      2.034 ppm2      1.626
 OR { 3089}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 3089}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 3086}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HB1 ")
      3.300     3.300     0.000 peak  3086 weight  0.10000E+01 volume -0.30810E+01 ppm1      2.034 ppm2      2.258
 ASSI { 3108}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     5.000     0.000 peak  3108 weight  0.10000E+01 volume -0.10130E+01 ppm1      3.721 ppm2      2.047
 OR { 3108}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 3108}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 3098}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     5.000     0.000 peak  3098 weight  0.10000E+01 volume -0.73500E+00 ppm1      1.626 ppm2      2.021
 ASSI { 3100}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HA  ")
      6.000     6.000     0.000 peak  3100 weight  0.10000E+01 volume -0.23500E+00 ppm1      1.626 ppm2      4.155
 ASSI { 3104}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  3104 weight  0.10000E+01 volume -0.14300E+00 ppm1      1.612 ppm2      4.603
 ASSI { 3130}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HB1 ")
      3.300     3.300     0.000 peak  3130 weight  0.10000E+01 volume -0.29620E+01 ppm1      1.784 ppm2      2.469
 ASSI { 3133}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  3133 weight  0.10000E+01 volume -0.56400E+00 ppm1      1.784 ppm2      4.471
 ASSI { 3143}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
      5.000     5.000     0.000 peak  3143 weight  0.10000E+01 volume -0.15790E+01 ppm1      4.103 ppm2      0.861
 OR { 3143}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 3143}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3143}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 3149}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG2 ")
      5.000     5.000     0.000 peak  3149 weight  0.10000E+01 volume -0.31900E+00 ppm1      4.089 ppm2      1.494
 OR { 3149}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 3149}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 3149}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 3149}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "27  " and name "HG2 ")
 OR { 3149}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "43  " and name "HG  ")
 ASSI { 3150}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HG2 ")
      6.000     6.000     0.000 peak  3150 weight  0.10000E+01 volume -0.27900E+00 ppm1      2.495 ppm2      1.599
 ASSI { 3164}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HB1 ")
      6.000     6.000     0.000 peak  3164 weight  0.10000E+01 volume -0.95000E-01 ppm1      2.495 ppm2      1.810
 ASSI { 3168}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HB2 ")
      6.000     6.000     0.000 peak  3168 weight  0.10000E+01 volume -0.90000E-02 ppm1      1.612 ppm2      1.916
 ASSI { 3180}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD13")
      6.000     6.000     0.000 peak  3180 weight  0.10000E+01 volume -0.69000E-01 ppm1      1.692 ppm2      0.651
 OR { 3180}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 3180}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD11")
 ASSI { 3178}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HB  ")
      5.000     5.000     0.000 peak  3178 weight  0.10000E+01 volume -0.33100E+00 ppm1      1.705 ppm2      2.074
 ASSI { 3176}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HG2 ")
      5.000     5.000     0.000 peak  3176 weight  0.10000E+01 volume -0.14300E+01 ppm1      1.520 ppm2      1.283
 ASSI { 3192}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HD13")
      5.000     5.000     0.000 peak  3192 weight  0.10000E+01 volume -0.36500E+00 ppm1      3.088 ppm2      0.651
 OR { 3192}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 3192}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 3192}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HD12")
 ASSI { 3194}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG13")
      5.000     5.000     0.000 peak  3194 weight  0.10000E+01 volume -0.38900E+00 ppm1      3.088 ppm2      0.941
 OR { 3194}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 3194}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 3194}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 3194}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG12")
 ASSI { 3186}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HB2 ")
      3.300     3.300     0.000 peak  3186 weight  0.10000E+01 volume -0.35530E+01 ppm1      3.088 ppm2      1.494
 OR { 3186}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 3186}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 3186}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 3186}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 3186}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 3186}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI { 3188}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     5.000     0.000 peak  3188 weight  0.10000E+01 volume -0.13420E+01 ppm1      3.088 ppm2      1.705
 OR { 3188}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HB1 ")
 OR { 3188}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HB1 ")
 ASSI { 3195}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HB  ")
      6.000     6.000     0.000 peak  3195 weight  0.10000E+01 volume -0.23900E+00 ppm1      3.088 ppm2      2.074
 OR { 3195}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HB  ")
 ASSI { 3197}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD23")
      3.300     3.300     0.000 peak  3197 weight  0.10000E+01 volume -0.26150E+01 ppm1      5.354 ppm2      0.756
 OR { 3197}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3197}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 3203}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  3203 weight  0.10000E+01 volume -0.15700E+00 ppm1      5.354 ppm2      1.257
 OR { 3203}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 3205}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     5.000     0.000 peak  3205 weight  0.10000E+01 volume -0.81500E+00 ppm1      1.757 ppm2      1.520
 ASSI { 3224}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD11")
      5.000     5.000     0.000 peak  3224 weight  0.10000E+01 volume -0.41100E+00 ppm1      0.796 ppm2      0.572
 OR { 3224}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HD11")
 OR { 3224}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3224}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3224}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3224}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 3218}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "43  " and name "HG  ")
      5.000     5.000     0.000 peak  3218 weight  0.10000E+01 volume -0.14090E+01 ppm1      0.796 ppm2      1.468
 OR { 3218}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "43  " and name "HG  ")
 OR { 3218}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "43  " and name "HG  ")
 ASSI { 3223}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "27  " and name "HD1 ")
      5.000     5.000     0.000 peak  3223 weight  0.10000E+01 volume -0.84300E+00 ppm1      0.796 ppm2      1.599
 OR { 3223}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3223}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3223}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 3223}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 3234}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "30  " and name "HB  ")
      6.000     6.000     0.000 peak  3234 weight  0.10000E+01 volume -0.16500E+00 ppm1      0.796 ppm2      2.021
 OR { 3234}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 3234}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 3234}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 3234}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 3234}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 3210}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "43  " and name "HB1 ")
      3.300     3.300     0.000 peak  3210 weight  0.10000E+01 volume -0.22830E+01 ppm1      0.756 ppm2      0.993
 OR { 3210}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 3210}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 3210}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3210}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3210}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 3236}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "43  " and name "HG  ")
      5.000     5.000     0.000 peak  3236 weight  0.10000E+01 volume -0.19080E+01 ppm1      0.756 ppm2      1.468
 OR { 3236}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "43  " and name "HG  ")
 OR { 3236}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "43  " and name "HG  ")
 ASSI { 3242}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "27  " and name "HD1 ")
      5.000     5.000     0.000 peak  3242 weight  0.10000E+01 volume -0.38600E+00 ppm1      0.756 ppm2      1.599
 OR { 3242}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 3242}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 3242}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3242}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3242}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 3242}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 3239}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "41  " and name "HB1 ")
      5.000     5.000     0.000 peak  3239 weight  0.10000E+01 volume -0.87200E+00 ppm1      0.756 ppm2      1.757
 OR { 3239}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 3239}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 3239}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 3243}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  3243 weight  0.10000E+01 volume -0.11500E+00 ppm1      0.769 ppm2      4.392
 OR { 3243}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3243}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3243}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 3243}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3161}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD13")
      5.000     5.000     0.000 peak  3161 weight  0.10000E+01 volume -0.19210E+01 ppm1      1.468 ppm2      0.782
 OR { 3161}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3161}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3161}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3161}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3161}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 5653}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD11")
      5.000     5.000     0.000 peak  5653 weight  0.10000E+01 volume -0.14940E+01 ppm1      4.913 ppm2      0.675
 OR { 5653}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 5653}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 5653}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 5653}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG21")
 ASSI { 3247}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "49  " and name "HB2 ")
      6.000     6.000     0.000 peak  3247 weight  0.10000E+01 volume -0.11700E+00 ppm1      4.919 ppm2      1.968
 OR { 3247}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "49  " and name "HB1 ")
 ASSI { 3250}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG11")
      5.000     5.000     0.000 peak  3250 weight  0.10000E+01 volume -0.76100E+00 ppm1      1.784 ppm2      1.362
 ASSI { 3281}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "42  " and name "HG1 ")
      5.000     5.000     0.000 peak  3281 weight  0.10000E+01 volume -0.35500E+00 ppm1      0.664 ppm2      1.494
 OR { 3281}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 3281}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI { 3277}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HB  ")
      5.000     5.000     0.000 peak  3277 weight  0.10000E+01 volume -0.91100E+00 ppm1      0.664 ppm2      1.784
 OR { 3277}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HB  ")
 OR { 3277}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HB  ")
 ASSI { 3280}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HB2 ")
      5.000     5.000     0.000 peak  3280 weight  0.10000E+01 volume -0.82000E+00 ppm1      0.664 ppm2      1.968
 OR { 3280}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 3280}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 3280}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HB1 ")
 ASSI { 3283}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "70  " and name "HB  ")
      5.000     5.000     0.000 peak  3283 weight  0.10000E+01 volume -0.32000E+00 ppm1      0.664 ppm2      2.074
 OR { 3283}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "70  " and name "HB  ")
 OR { 3283}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "70  " and name "HB  ")
 ASSI { 3265}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HA  ")
      3.300     3.300     0.000 peak  3265 weight  0.10000E+01 volume -0.22290E+01 ppm1      0.664 ppm2      4.901
 OR { 3265}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 3265}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 3265}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 3265}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 3274}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HG11")
      3.300     3.300     0.000 peak  3274 weight  0.10000E+01 volume -0.22370E+01 ppm1      0.664 ppm2      1.362
 OR { 3274}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HG11")
 OR { 3274}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 5664}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HA  ")
      5.000     5.000     0.000 peak  5664 weight  0.10000E+01 volume -0.61500E+00 ppm1      1.079 ppm2      4.897
 OR { 5664}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 3253}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HG11")
      3.300     3.300     0.000 peak  3253 weight  0.10000E+01 volume -0.38130E+01 ppm1      1.085 ppm2      1.362
 ASSI { 5669}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HD13")
      5.000     5.000     0.000 peak  5669 weight  0.10000E+01 volume -0.10120E+01 ppm1      1.079 ppm2      0.652
 OR { 5669}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HG22")
 OR { 5669}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HD11")
 OR { 5669}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HD12")
 OR { 5669}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HG23")
 ASSI { 3271}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "67  " and name "HG21")
      6.000     6.000     0.000 peak  3271 weight  0.10000E+01 volume -0.16800E+00 ppm1      0.690 ppm2      0.993
 OR { 3271}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3271}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3271}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "67  " and name "HG23")
 OR { 3271}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3271}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "67  " and name "HG23")
 OR { 3271}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3271}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3271}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 3261}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HG11")
      5.000     5.000     0.000 peak  3261 weight  0.10000E+01 volume -0.11000E+01 ppm1      0.690 ppm2      1.362
 OR { 3261}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HG11")
 OR { 3261}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 3270}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "49  " and name "HB2 ")
      6.000     6.000     0.000 peak  3270 weight  0.10000E+01 volume -0.17900E+00 ppm1      0.690 ppm2      1.942
 OR { 3270}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 3270}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 3270}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 3270}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "49  " and name "HB1 ")
 ASSI { 3272}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "49  " and name "HG1 ")
      6.000     6.000     0.000 peak  3272 weight  0.10000E+01 volume -0.87000E-01 ppm1      0.690 ppm2      2.258
 OR { 3272}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 3272}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 3269}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  3269 weight  0.10000E+01 volume -0.16800E+00 ppm1      0.690 ppm2      4.656
 OR { 3269}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 3269}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 5674}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HA  ")
      5.000     5.000     0.000 peak  5674 weight  0.10000E+01 volume -0.19940E+01 ppm1      0.682 ppm2      4.897
 OR { 5674}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 5674}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 5674}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 3286}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  3286 weight  0.10000E+01 volume -0.56600E+00 ppm1      5.209 ppm2      4.709
 ASSI { 3287}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
      5.000     5.000     0.000 peak  3287 weight  0.10000E+01 volume -0.42600E+00 ppm1      5.209 ppm2      0.697
 OR { 3287}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 3287}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 3287}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3287}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 ASSI { 3302}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  3302 weight  0.10000E+01 volume -0.21800E+00 ppm1      2.956 ppm2      1.494
 ASSI { 3305}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  3305 weight  0.10000E+01 volume -0.14700E+00 ppm1      2.956 ppm2      4.709
 ASSI { 3325}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  3325 weight  0.10000E+01 volume -0.19200E+00 ppm1      7.449 ppm2      4.709
 ASSI { 3340}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
      6.000     6.000     0.000 peak  3340 weight  0.10000E+01 volume -0.11800E+00 ppm1      3.707 ppm2      0.677
 OR { 3340}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 3340}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 3338}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "47  " and name "HA1 ")
      6.000     6.000     0.000 peak  3338 weight  0.10000E+01 volume -0.89000E-01 ppm1      3.707 ppm2      4.129
 OR { 3338}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "66  " and name "HB  ")
 ASSI { 3347}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HE2 ")
      6.000     6.000     0.000 peak  3347 weight  0.10000E+01 volume -0.88000E-01 ppm1      0.809 ppm2      3.180
 OR { 3347}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 3347}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 ASSI { 3348}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HD2 ")
      6.000     6.000     0.000 peak  3348 weight  0.10000E+01 volume -0.96000E-01 ppm1      0.809 ppm2      1.942
 OR { 3348}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 3348}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 3348}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 3348}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 3361}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HE1 ")
      5.000     5.000     0.000 peak  3361 weight  0.10000E+01 volume -0.61200E+00 ppm1      1.902 ppm2      3.180
 OR { 3361}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 3361}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 3361}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 ASSI { 3362}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  3362 weight  0.10000E+01 volume -0.27600E+00 ppm1      1.916 ppm2      4.656
 OR { 3362}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 2345}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG1 ")
      2.700     2.700     0.000 peak  2345 weight  0.10000E+01 volume -0.46610E+01 ppm1      1.968 ppm2      2.258
 OR { 2345}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 2345}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 2345}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 3379}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HA  ")
      3.300     3.300     0.000 peak  3379 weight  0.10000E+01 volume -0.20640E+01 ppm1      1.968 ppm2      4.893
 OR { 3379}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 3379}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 3383}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HD13")
      5.000     5.000     0.000 peak  3383 weight  0.10000E+01 volume -0.43500E+00 ppm1      2.271 ppm2      0.677
 OR { 3383}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 3383}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 3383}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 3383}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 3383}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HD11")
 ASSI { 3384}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HG1 ")
      6.000     6.000     0.000 peak  3384 weight  0.10000E+01 volume -0.24200E+00 ppm1      2.258 ppm2      1.494
 OR { 3384}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 3384}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 3382}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HA  ")
      5.000     5.000     0.000 peak  3382 weight  0.10000E+01 volume -0.12160E+01 ppm1      2.271 ppm2      4.893
 OR { 3382}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 3382}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 3396}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "48  " and name "HB2 ")
      6.000     6.000     0.000 peak  3396 weight  0.10000E+01 volume -0.14700E+00 ppm1      3.839 ppm2      1.942
 OR { 3396}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 3396}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 3396}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 3396}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 3396}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD2 ")
 ASSI { 3397}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "51  " and name "HG2 ")
      6.000     6.000     0.000 peak  3397 weight  0.10000E+01 volume -0.13100E+00 ppm1      3.826 ppm2      2.311
 OR { 3397}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 3397}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 3405}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG23")
      5.000     5.000     0.000 peak  3405 weight  0.10000E+01 volume -0.67200E+00 ppm1      1.533 ppm2      1.046
 OR { 3405}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3405}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 3405}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 3424}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "43  " and name "HD11")
      5.000     5.000     0.000 peak  3424 weight  0.10000E+01 volume -0.84600E+00 ppm1      0.572 ppm2      0.809
 OR { 3424}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3424}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3424}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3424}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3424}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3424}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3424}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3424}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 3423}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "50  " and name "HG  ")
      5.000     5.000     0.000 peak  3423 weight  0.10000E+01 volume -0.18590E+01 ppm1      0.572 ppm2      1.151
 OR { 3423}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 3423}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 3436}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  3436 weight  0.10000E+01 volume -0.79000E-01 ppm1      0.572 ppm2      5.341
 OR { 3436}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 3436}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 3456}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "48  " and name "HB2 ")
      6.000     6.000     0.000 peak  3456 weight  0.10000E+01 volume -0.13900E+00 ppm1      0.150 ppm2      1.968
 OR { 3456}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 3456}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 3449}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  3449 weight  0.10000E+01 volume -0.19100E+00 ppm1      0.150 ppm2      2.627
 OR { 3449}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 3449}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 3444}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HE1 ")
      5.000     5.000     0.000 peak  3444 weight  0.10000E+01 volume -0.48300E+00 ppm1      0.150 ppm2      6.869
 OR { 3444}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3444}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3444}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3444}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 3460}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "26  " and name "HD2 ")
      6.000     6.000     0.000 peak  3460 weight  0.10000E+01 volume -0.83000E-01 ppm1      0.150 ppm2      7.054
 OR { 3460}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3460}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3460}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "26  " and name "HD1 ")
 ASSI { 3477}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak  3477 weight  0.10000E+01 volume -0.95200E+00 ppm1      2.311 ppm2      1.942
 OR { 3477}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HB1 ")
 ASSI { 3476}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak  3476 weight  0.10000E+01 volume -0.17440E+01 ppm1      2.311 ppm2      2.205
 ASSI { 2334}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HB2 ")
      2.700     2.700     0.000 peak  2334 weight  0.10000E+01 volume -0.40660E+01 ppm1      2.680 ppm2      2.495
 OR { 2334}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 3511}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG23")
      5.000     5.000     0.000 peak  3511 weight  0.10000E+01 volume -0.72700E+00 ppm1      2.377 ppm2      1.046
 OR { 3511}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3511}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 3511}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG21")
 ASSI { 3494}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HG2 ")
      3.300     3.300     0.000 peak  3494 weight  0.10000E+01 volume -0.27870E+01 ppm1      1.942 ppm2      1.678
 ASSI { 3526}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD12")
      6.000     6.000     0.000 peak  3526 weight  0.10000E+01 volume -0.57000E-01 ppm1      5.249 ppm2      0.387
 OR { 3526}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 3526}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 3528}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "20  " and name "HA  ")
      6.000     6.000     0.000 peak  3528 weight  0.10000E+01 volume -0.10600E+00 ppm1      5.236 ppm2      4.366
 OR { 3528}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "52  " and name "HA  ")
 ASSI { 3536}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG21")
      6.000     6.000     0.000 peak  3536 weight  0.10000E+01 volume -0.13600E+00 ppm1      4.471 ppm2      1.046
 OR { 3536}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 3536}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "56  " and name "HB1 ")
 OR { 3536}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 3533}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "57  " and name "HB1 ")
      6.000     6.000     0.000 peak  3533 weight  0.10000E+01 volume -0.12400E+00 ppm1      4.471 ppm2      3.786
 OR { 3533}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 3543}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "20  " and name "HB1 ")
      6.000     6.000     0.000 peak  3543 weight  0.10000E+01 volume -0.13900E+00 ppm1      1.151 ppm2      3.760
 OR { 3543}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 3543}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "20  " and name "HB1 ")
 OR { 3543}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 3543}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 3547}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG  ")
      5.000     5.000     0.000 peak  3547 weight  0.10000E+01 volume -0.39100E+00 ppm1      4.050 ppm2      1.652
 ASSI { 3560}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HG  ")
      5.000     5.000     0.000 peak  3560 weight  0.10000E+01 volume -0.57500E+00 ppm1      1.059 ppm2      1.652
 ASSI { 3565}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HG12")
      5.000     5.000     0.000 peak  3565 weight  0.10000E+01 volume -0.10900E+01 ppm1      0.414 ppm2      0.651
 OR { 3565}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HG12")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HG11")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HG12")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HG13")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HG11")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HG13")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HG13")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HG11")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "67  " and name "HD12")
 OR { 3565}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "67  " and name "HD13")
 ASSI { 3571}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  3571 weight  0.10000E+01 volume -0.44800E+00 ppm1      0.414 ppm2      3.574
 OR { 3571}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 3571}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 3571}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 3571}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 3571}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 3572}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  3572 weight  0.10000E+01 volume -0.56800E+00 ppm1      0.414 ppm2      4.020
 OR { 3572}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 3572}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 3588}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  3588 weight  0.10000E+01 volume -0.22300E+00 ppm1      0.308 ppm2      1.520
 OR { 3588}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "67  " and name "HG11")
 OR { 3588}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 3588}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 3588}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 3588}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "67  " and name "HG11")
 OR { 3588}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 3588}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 3588}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 3588}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 3593}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "17  " and name "HB  ")
      6.000     6.000     0.000 peak  3593 weight  0.10000E+01 volume -0.95000E-01 ppm1      0.295 ppm2      2.100
 OR { 3593}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "17  " and name "HB  ")
 OR { 3593}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "17  " and name "HB  ")
 ASSI { 3592}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  3592 weight  0.10000E+01 volume -0.12100E+00 ppm1      0.308 ppm2      2.601
 OR { 3592}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 3592}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 3592}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 3591}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  3591 weight  0.10000E+01 volume -0.12700E+00 ppm1      0.308 ppm2      2.917
 OR { 3591}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 3591}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 3590}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "26  " and name "HE2 ")
      6.000     6.000     0.000 peak  3590 weight  0.10000E+01 volume -0.21400E+00 ppm1      0.305 ppm2      6.874
 OR { 3590}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 3590}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 3590}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 3590}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 3590}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "26  " and name "HE1 ")
 ASSI { 3585}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HD2 ")
      5.000     5.000     0.000 peak  3585 weight  0.10000E+01 volume -0.38000E+00 ppm1      0.308 ppm2      7.080
 OR { 3585}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3585}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3585}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 3585}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HD1 ")
 ASSI { 3587}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "67  " and name "HD12")
      5.000     5.000     0.000 peak  3587 weight  0.10000E+01 volume -0.42700E+00 ppm1      0.308 ppm2      0.651
 OR { 3587}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "17  " and name "HG12")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "17  " and name "HG11")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "17  " and name "HG11")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "67  " and name "HD12")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "67  " and name "HD12")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "17  " and name "HG11")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3587}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "67  " and name "HD11")
 ASSI { 3586}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "23  " and name "HG12")
      6.000     6.000     0.000 peak  3586 weight  0.10000E+01 volume -0.23600E+00 ppm1      0.308 ppm2      0.835
 OR { 3586}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3586}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "43  " and name "HD11")
 ASSI { 3596}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB1 ")
      6.000     6.000     0.000 peak  3596 weight  0.10000E+01 volume -0.24700E+00 ppm1      4.287 ppm2      2.337
 OR { 3596}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "62  " and name "HG2 ")
 ASSI { 3600}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB2 ")
      6.000     6.000     0.000 peak  3600 weight  0.10000E+01 volume -0.10100E+00 ppm1      4.287 ppm2      1.863
 ASSI { 3597}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "19  " and name "HA  ")
      6.000     6.000     0.000 peak  3597 weight  0.10000E+01 volume -0.16800E+00 ppm1      4.287 ppm2      4.024
 OR { 3597}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 3617}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD2 ")
      6.000     6.000     0.000 peak  3617 weight  0.10000E+01 volume -0.17800E+00 ppm1      2.298 ppm2      3.180
 OR { 3617}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD1 ")
 ASSI { 3618}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HB2 ")
      5.000     5.000     0.000 peak  3618 weight  0.10000E+01 volume -0.82500E+00 ppm1      4.511 ppm2      2.627
 ASSI { 3619}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "58  " and name "HA  ")
      6.000     6.000     0.000 peak  3619 weight  0.10000E+01 volume -0.15100E+00 ppm1      4.498 ppm2      4.340
 OR { 3619}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI { 3620}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  3620 weight  0.10000E+01 volume -0.13200E+00 ppm1      4.511 ppm2      7.423
 OR { 3620}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 3631}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HG12")
      6.000     6.000     0.000 peak  3631 weight  0.10000E+01 volume -0.99000E-01 ppm1      3.510 ppm2     -0.403
 ASSI { 3649}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HG  ")
      6.000     6.000     0.000 peak  3649 weight  0.10000E+01 volume -0.12300E+00 ppm1      7.265 ppm2      1.178
 OR { 3649}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 3641}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD11")
      5.000     5.000     0.000 peak  3641 weight  0.10000E+01 volume -0.30600E+00 ppm1      7.278 ppm2      0.387
 OR { 3641}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3641}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3641}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 3641}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 3661}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HD1 ")
      6.000     6.000     0.000 peak  3661 weight  0.10000E+01 volume -0.27900E+00 ppm1      6.856 ppm2      3.180
 OR { 3661}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3661}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 3661}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 ASSI { 3670}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HA  ")
      6.000     6.000     0.000 peak  3670 weight  0.10000E+01 volume -0.11400E+00 ppm1      6.856 ppm2      4.814
 OR { 3670}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HA  ")
 ASSI { 3664}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "62  " and name "HG1 ")
      6.000     6.000     0.000 peak  3664 weight  0.10000E+01 volume -0.10400E+00 ppm1      4.379 ppm2      2.311
 OR { 3664}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "62  " and name "HG2 ")
 ASSI { 3692}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG12")
      6.000     6.000     0.000 peak  3692 weight  0.10000E+01 volume -0.78000E-01 ppm1      3.194 ppm2      0.572
 OR { 3692}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 3692}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 3692}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD11")
 OR { 3692}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3692}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 3683}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "62  " and name "HG2 ")
      6.000     6.000     0.000 peak  3683 weight  0.10000E+01 volume -0.22200E+00 ppm1      3.194 ppm2      2.311
 OR { 3683}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "62  " and name "HG1 ")
 ASSI { 3685}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "65  " and name "HB1 ")
      6.000     6.000     0.000 peak  3685 weight  0.10000E+01 volume -0.15400E+00 ppm1      3.194 ppm2      3.971
 ASSI { 3687}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "62  " and name "HA  ")
      6.000     6.000     0.000 peak  3687 weight  0.10000E+01 volume -0.85000E-01 ppm1      3.194 ppm2      4.551
 ASSI { 3745}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "43  " and name "HD13")
      6.000     6.000     0.000 peak  3745 weight  0.10000E+01 volume -0.11600E+00 ppm1      0.400 ppm2      0.809
 OR { 3745}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3745}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "46  " and name "HB3 ")
 ASSI { 6124}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  6124 weight  0.10000E+01 volume -0.47800E+00 ppm1      0.389 ppm2      3.984
 OR { 6124}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 6124}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 3732}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "67  " and name "HD12")
      5.000     5.000     0.000 peak  3732 weight  0.10000E+01 volume -0.10480E+01 ppm1      0.400 ppm2      0.703
 OR { 3732}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3732}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3732}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3732}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "67  " and name "HD12")
 OR { 3732}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3732}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "67  " and name "HD11")
 ASSI { 3741}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "67  " and name "HG11")
      5.000     5.000     0.000 peak  3741 weight  0.10000E+01 volume -0.32800E+00 ppm1      0.387 ppm2      1.494
 OR { 3741}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "67  " and name "HG11")
 OR { 3741}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "67  " and name "HG11")
 OR { 3741}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 3741}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 3741}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 3741}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 3722}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  3722 weight  0.10000E+01 volume -0.89000E-01 ppm1      0.334 ppm2      1.678
 OR { 3722}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 3722}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "56  " and name "HG  ")
 ASSI { 3726}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "62  " and name "HG2 ")
      6.000     6.000     0.000 peak  3726 weight  0.10000E+01 volume -0.79000E-01 ppm1      0.334 ppm2      2.311
 OR { 3726}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 3726}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 3726}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 3726}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 3726}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 3726}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 3726}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 3720}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "3   " and name "HB  ")
      5.000     5.000     0.000 peak  3720 weight  0.10000E+01 volume -0.30600E+00 ppm1      0.334 ppm2      2.047
 OR { 3720}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "3   " and name "HB  ")
 OR { 3720}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 3720}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "3   " and name "HB  ")
 OR { 3720}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 3720}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 3720}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "19  " and name "HG2 ")
 OR { 3720}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 3720}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 3720}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "19  " and name "HG2 ")
 ASSI { 3748}
     (segid "    " and resid "62  " and name "HA  ")
     (segid "    " and resid "62  " and name "HG1 ")
      5.000     5.000     0.000 peak  3748 weight  0.10000E+01 volume -0.70900E+00 ppm1      4.551 ppm2      2.311
 OR { 3748}
     (segid "    " and resid "62  " and name "HA  ")
     (segid "    " and resid "62  " and name "HG2 ")
 ASSI { 3752}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HB1 ")
      3.300     3.300     0.000 peak  3752 weight  0.10000E+01 volume -0.21630E+01 ppm1      3.931 ppm2      1.942
 ASSI { 3761}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  3761 weight  0.10000E+01 volume -0.31800E+00 ppm1      3.931 ppm2      2.495
 ASSI { 3765}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "64  " and name "HA  ")
      6.000     6.000     0.000 peak  3765 weight  0.10000E+01 volume -0.98000E-01 ppm1      3.931 ppm2      3.154
 OR { 3765}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "61  " and name "HA  ")
 ASSI { 3762}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HA  ")
      6.000     6.000     0.000 peak  3762 weight  0.10000E+01 volume -0.29500E+00 ppm1      3.931 ppm2      4.182
 OR { 3762}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 3786}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "63  " and name "HE1 ")
      5.000     5.000     0.000 peak  3786 weight  0.10000E+01 volume -0.75600E+00 ppm1      1.718 ppm2      2.996
 OR { 3786}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HE2 ")
 OR { 3786}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "63  " and name "HE2 ")
 OR { 3786}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HE1 ")
 ASSI { 1855}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "63  " and name "HG1 ")
      3.300     3.300     0.000 peak  1855 weight  0.10000E+01 volume -0.28200E+01 ppm1      1.718 ppm2      1.547
 OR { 1855}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HG1 ")
 ASSI { 1854}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "63  " and name "HB1 ")
      6.000     6.000     0.000 peak  1854 weight  0.10000E+01 volume -0.19500E+00 ppm1      3.009 ppm2      1.942
 OR { 1854}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "63  " and name "HB1 ")
 ASSI { 1853}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG2 ")
      6.000     6.000     0.000 peak  1853 weight  0.10000E+01 volume -0.18300E+00 ppm1      3.009 ppm2      2.153
 OR { 1853}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "1   " and name "HB1 ")
 OR { 1853}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 1853}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "1   " and name "HB1 ")
 ASSI { 3795}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "63  " and name "HA  ")
      6.000     6.000     0.000 peak  3795 weight  0.10000E+01 volume -0.73000E-01 ppm1      3.022 ppm2      3.944
 OR { 3795}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 3779}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HB2 ")
      5.000     5.000     0.000 peak  3779 weight  0.10000E+01 volume -0.15880E+01 ppm1      1.533 ppm2      1.784
 ASSI { 3787}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HB1 ")
      5.000     5.000     0.000 peak  3787 weight  0.10000E+01 volume -0.41400E+00 ppm1      1.415 ppm2      1.942
 ASSI { 3805}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "63  " and name "HA  ")
      6.000     6.000     0.000 peak  3805 weight  0.10000E+01 volume -0.10200E+00 ppm1      3.154 ppm2      3.944
 OR { 3805}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 3823}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HD1 ")
      6.000     6.000     0.000 peak  3823 weight  0.10000E+01 volume -0.13000E+00 ppm1      2.139 ppm2      1.705
 OR { 3823}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HD2 ")
 OR { 3823}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HD1 ")
 ASSI { 3834}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HG12")
      5.000     5.000     0.000 peak  3834 weight  0.10000E+01 volume -0.51900E+00 ppm1      3.694 ppm2      0.572
 OR { 3834}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 3834}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HG13")
 ASSI { 3838}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HB  ")
      6.000     6.000     0.000 peak  3838 weight  0.10000E+01 volume -0.13300E+00 ppm1      3.707 ppm2      2.047
 ASSI { 3836}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HZ  ")
      6.000     6.000     0.000 peak  3836 weight  0.10000E+01 volume -0.19900E+00 ppm1      3.694 ppm2      7.449
 OR { 3836}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3836}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 3848}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG12")
      6.000     6.000     0.000 peak  3848 weight  0.10000E+01 volume -0.96000E-01 ppm1      5.328 ppm2      0.572
 OR { 3848}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG22")
 OR { 3848}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG23")
 OR { 3848}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 3848}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG21")
 ASSI { 3839}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG23")
      3.300     3.300     0.000 peak  3839 weight  0.10000E+01 volume -0.22240E+01 ppm1      5.328 ppm2      0.941
 OR { 3839}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 3839}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI { 3847}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG22")
      6.000     6.000     0.000 peak  3847 weight  0.10000E+01 volume -0.18200E+00 ppm1      5.328 ppm2      1.046
 OR { 3847}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 3847}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 3849}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  3849 weight  0.10000E+01 volume -0.80000E-01 ppm1      5.328 ppm2      1.494
 OR { 3849}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 3849}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 3850}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  3850 weight  0.10000E+01 volume -0.75000E-01 ppm1      5.328 ppm2      4.709
 ASSI { 3853}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "4   " and name "HB2 ")
      6.000     6.000     0.000 peak  3853 weight  0.10000E+01 volume -0.12500E+00 ppm1      4.116 ppm2      3.128
 OR { 3853}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 3865}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "50  " and name "HD11")
      6.000     6.000     0.000 peak  3865 weight  0.10000E+01 volume -0.18100E+00 ppm1      1.863 ppm2      0.572
 OR { 3865}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3865}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3865}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "3   " and name "HG23")
 OR { 3865}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "3   " and name "HG21")
 OR { 3865}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "3   " and name "HG22")
 ASSI { 3857}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HD11")
      5.000     5.000     0.000 peak  3857 weight  0.10000E+01 volume -0.11490E+01 ppm1      1.863 ppm2      0.703
 OR { 3857}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3857}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HD12")
 ASSI { 3862}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  3862 weight  0.10000E+01 volume -0.37900E+00 ppm1      1.850 ppm2      4.709
 ASSI { 3901}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HD13")
      5.000     5.000     0.000 peak  3901 weight  0.10000E+01 volume -0.19860E+01 ppm1      0.703 ppm2      0.387
 OR { 3901}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HD12")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HD12")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HG21")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HD12")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HG21")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HG21")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HG23")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HG23")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HG22")
 OR { 3901}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HG22")
 ASSI { 3887}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "3   " and name "HG21")
      3.300     3.300     0.000 peak  3887 weight  0.10000E+01 volume -0.29250E+01 ppm1      0.703 ppm2      0.572
 OR { 3887}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "3   " and name "HG21")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "3   " and name "HG23")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "3   " and name "HG21")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "3   " and name "HG22")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "3   " and name "HG12")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "3   " and name "HG22")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "3   " and name "HG23")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "3   " and name "HG23")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "3   " and name "HG22")
 OR { 3887}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "3   " and name "HG13")
 ASSI { 3923}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  3923 weight  0.10000E+01 volume -0.13800E+00 ppm1      0.703 ppm2      2.811
 OR { 3923}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 3923}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 3912}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  3912 weight  0.10000E+01 volume -0.44600E+00 ppm1      0.690 ppm2      4.709
 OR { 3912}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 3912}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 3927}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HE2 ")
      6.000     6.000     0.000 peak  3927 weight  0.10000E+01 volume -0.12900E+00 ppm1      0.703 ppm2      7.528
 OR { 3927}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 3927}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 3927}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HE1 ")
 ASSI { 3854}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  3854 weight  0.10000E+01 volume -0.63300E+00 ppm1      1.494 ppm2      4.709
 ASSI { 3879}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  3879 weight  0.10000E+01 volume -0.35400E+00 ppm1      1.178 ppm2      4.709
 ASSI { 3894}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  3894 weight  0.10000E+01 volume -0.50900E+00 ppm1      0.980 ppm2      1.731
 OR { 3894}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 3894}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 3886}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  3886 weight  0.10000E+01 volume -0.13400E+01 ppm1      0.980 ppm2      4.709
 OR { 3886}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 3886}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 3904}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "68  " and name "HD2 ")
      6.000     6.000     0.000 peak  3904 weight  0.10000E+01 volume -0.10000E+00 ppm1      0.980 ppm2      7.054
 OR { 3904}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "68  " and name "HD2 ")
 OR { 3904}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3904}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3904}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3904}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 3904}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 3904}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "26  " and name "HD1 ")
 ASSI { 3893}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  3893 weight  0.10000E+01 volume -0.22000E+00 ppm1      0.980 ppm2      0.150
 OR { 3893}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3893}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3893}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3893}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3893}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 3889}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD11")
      5.000     5.000     0.000 peak  3889 weight  0.10000E+01 volume -0.97900E+00 ppm1      0.980 ppm2      0.572
 OR { 3889}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3889}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3889}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD11")
 OR { 3889}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD11")
 OR { 3889}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3889}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD12")
 ASSI { 3874}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "5   " and name "HD13")
      3.300     3.300     0.000 peak  3874 weight  0.10000E+01 volume -0.30400E+01 ppm1      0.980 ppm2      0.756
 OR { 3874}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "5   " and name "HD12")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "5   " and name "HD11")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "5   " and name "HD11")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "5   " and name "HD12")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "5   " and name "HD13")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "5   " and name "HD12")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "5   " and name "HD13")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "43  " and name "HD21")
 OR { 3874}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "5   " and name "HD11")
 ASSI { 3933}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD12")
      6.000     6.000     0.000 peak  3933 weight  0.10000E+01 volume -0.21300E+00 ppm1      4.999 ppm2      0.782
 OR { 3933}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD11")
 OR { 3933}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD13")
 OR { 3933}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG22")
 ASSI { 3939}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "6   " and name "HD2 ")
      6.000     6.000     0.000 peak  3939 weight  0.10000E+01 volume -0.10000E+00 ppm1      4.999 ppm2      1.520
 OR { 3939}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "6   " and name "HD1 ")
 ASSI { 3936}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB1 ")
      6.000     6.000     0.000 peak  3936 weight  0.10000E+01 volume -0.21700E+00 ppm1      4.999 ppm2      1.810
 OR { 3936}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 3936}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "44  " and name "HB  ")
 ASSI { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD22")
      6.000     6.000     0.000 peak  3938 weight  0.10000E+01 volume -0.17100E+00 ppm1      4.999 ppm2      0.703
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD21")
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD23")
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 3938}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
 ASSI { 3932}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
      5.000     5.000     0.000 peak  3932 weight  0.10000E+01 volume -0.35900E+00 ppm1      4.999 ppm2      0.941
 OR { 3932}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3932}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3932}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 3932}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 3932}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI { 3934}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  3934 weight  0.10000E+01 volume -0.13000E+00 ppm1      4.999 ppm2      4.709
 OR { 3934}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "7   " and name "HA  ")
 ASSI { 3953}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG12")
      6.000     6.000     0.000 peak  3953 weight  0.10000E+01 volume -0.28300E+00 ppm1      3.088 ppm2      0.941
 OR { 3953}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 3953}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD22")
 ASSI { 3957}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "6   " and name "HB2 ")
      6.000     6.000     0.000 peak  3957 weight  0.10000E+01 volume -0.19600E+00 ppm1      3.075 ppm2      1.362
 OR { 3957}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG11")
 OR { 3957}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 3950}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HB  ")
      6.000     6.000     0.000 peak  3950 weight  0.10000E+01 volume -0.11400E+00 ppm1      7.067 ppm2      1.784
 ASSI { 3949}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "6   " and name "HB2 ")
      6.000     6.000     0.000 peak  3949 weight  0.10000E+01 volume -0.13200E+00 ppm1      7.067 ppm2      1.362
 OR { 3949}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "6   " and name "HG1 ")
 ASSI { 3948}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  3948 weight  0.10000E+01 volume -0.14400E+00 ppm1      7.054 ppm2      4.709
 ASSI { 3951}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  3951 weight  0.10000E+01 volume -0.81000E-01 ppm1      7.067 ppm2      5.209
 ASSI { 3955}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
      3.300     3.300     0.000 peak  3955 weight  0.10000E+01 volume -0.21060E+01 ppm1      5.078 ppm2      0.756
 OR { 3955}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3955}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3955}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "5   " and name "HD12")
 ASSI { 3963}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
      5.000     5.000     0.000 peak  3963 weight  0.10000E+01 volume -0.32000E+00 ppm1      5.078 ppm2      0.993
 OR { 3963}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3963}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3963}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 3963}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 3963}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD22")
 OR { 3963}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD21")
 ASSI { 3969}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HA  ")
      5.000     5.000     0.000 peak  3969 weight  0.10000E+01 volume -0.57600E+00 ppm1      1.836 ppm2      4.709
 ASSI { 3974}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HA  ")
      6.000     6.000     0.000 peak  3974 weight  0.10000E+01 volume -0.23500E+00 ppm1      1.244 ppm2      4.709
 ASSI { 3990}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  3990 weight  0.10000E+01 volume -0.59100E+00 ppm1      0.848 ppm2      1.916
 OR { 3990}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 3990}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 3990}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 3990}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 3990}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 3990}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "31  " and name "HB2 ")
 OR { 3990}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "8   " and name "HB2 ")
 ASSI { 3994}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak  3994 weight  0.10000E+01 volume -0.16900E+00 ppm1      0.861 ppm2      4.392
 OR { 3994}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 3994}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 3994}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 3994}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 3994}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 3994}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3993}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "7   " and name "HA  ")
      6.000     6.000     0.000 peak  3993 weight  0.10000E+01 volume -0.23900E+00 ppm1      0.848 ppm2      4.709
 OR { 3993}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 3993}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "7   " and name "HA  ")
 ASSI { 4009}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "41  " and name "HG1 ")
      6.000     6.000     0.000 peak  4009 weight  0.10000E+01 volume -0.65000E-01 ppm1      0.782 ppm2      2.495
 OR { 4009}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "41  " and name "HG1 ")
 ASSI { 4005}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "30  " and name "HD13")
      6.000     6.000     0.000 peak  4005 weight  0.10000E+01 volume -0.26900E+00 ppm1      0.796 ppm2      0.045
 OR { 4005}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "30  " and name "HD12")
 OR { 4005}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "30  " and name "HD13")
 OR { 4005}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "30  " and name "HD11")
 OR { 4005}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "30  " and name "HD13")
 OR { 4005}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 4006}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  4006 weight  0.10000E+01 volume -0.40100E+00 ppm1      0.796 ppm2      1.626
 OR { 4006}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 4006}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "71  " and name "HB2 ")
 ASSI { 4010}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "34  " and name "HB1 ")
      6.000     6.000     0.000 peak  4010 weight  0.10000E+01 volume -0.97000E-01 ppm1      0.796 ppm2      2.284
 OR { 4010}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "34  " and name "HB1 ")
 OR { 4010}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "34  " and name "HB1 ")
 ASSI { 4008}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  4008 weight  0.10000E+01 volume -0.13600E+00 ppm1      0.796 ppm2      4.103
 OR { 4008}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 4008}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 4002}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "7   " and name "HA  ")
      5.000     5.000     0.000 peak  4002 weight  0.10000E+01 volume -0.49900E+00 ppm1      0.796 ppm2      4.709
 OR { 4002}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "7   " and name "HA  ")
 ASSI { 3873}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "69  " and name "HD21")
      5.000     5.000     0.000 peak  3873 weight  0.10000E+01 volume -0.15950E+01 ppm1      1.428 ppm2      0.782
 OR { 3873}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 3873}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 3873}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "36  " and name "HD12")
 ASSI { 4013}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HB  ")
      5.000     5.000     0.000 peak  4013 weight  0.10000E+01 volume -0.15650E+01 ppm1      4.379 ppm2      2.074
 ASSI { 4007}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD23")
      3.300     3.300     0.000 peak  4007 weight  0.10000E+01 volume -0.22360E+01 ppm1      4.392 ppm2      0.941
 OR { 4007}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 4007}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4007}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 4007}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG13")
 ASSI { 4018}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "71  " and name "HG  ")
      6.000     6.000     0.000 peak  4018 weight  0.10000E+01 volume -0.18100E+00 ppm1      4.379 ppm2      1.652
 OR { 4018}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 4018}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "73  " and name "HG  ")
 OR { 4018}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "74  " and name "HG1 ")
 ASSI { 4019}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  4019 weight  0.10000E+01 volume -0.93000E-01 ppm1      4.392 ppm2      5.051
 ASSI { 4029}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  4029 weight  0.10000E+01 volume -0.12200E+00 ppm1      2.087 ppm2      1.283
 ASSI { 4023}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak  4023 weight  0.10000E+01 volume -0.47100E+00 ppm1      2.074 ppm2      1.494
 ASSI { 4031}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "70  " and name "HG13")
      3.300     3.300     0.000 peak  4031 weight  0.10000E+01 volume -0.27090E+01 ppm1      0.809 ppm2      0.941
 OR { 4031}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "70  " and name "HG11")
 OR { 4031}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "70  " and name "HG11")
 OR { 4031}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "70  " and name "HG11")
 OR { 4031}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "70  " and name "HG13")
 OR { 4031}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4031}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4031}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "70  " and name "HG13")
 OR { 4031}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "70  " and name "HG12")
 ASSI { 4041}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "44  " and name "HG12")
      5.000     5.000     0.000 peak  4041 weight  0.10000E+01 volume -0.60400E+00 ppm1      0.809 ppm2      1.072
 OR { 4041}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "44  " and name "HG12")
 OR { 4041}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "44  " and name "HG12")
 ASSI { 4045}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HG2 ")
      5.000     5.000     0.000 peak  4045 weight  0.10000E+01 volume -0.45000E+00 ppm1      0.809 ppm2      1.283
 OR { 4045}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "42  " and name "HG2 ")
 ASSI { 4049}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "44  " and name "HG11")
      5.000     5.000     0.000 peak  4049 weight  0.10000E+01 volume -0.52900E+00 ppm1      0.809 ppm2      1.362
 OR { 4049}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "44  " and name "HG11")
 OR { 4049}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 4039}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak  4039 weight  0.10000E+01 volume -0.69100E+00 ppm1      0.809 ppm2      1.494
 OR { 4039}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 4039}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 4039}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 4039}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI { 4040}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     5.000     0.000 peak  4040 weight  0.10000E+01 volume -0.70200E+00 ppm1      0.809 ppm2      1.705
 OR { 4040}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HB1 ")
 ASSI { 4050}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "44  " and name "HB  ")
      6.000     6.000     0.000 peak  4050 weight  0.10000E+01 volume -0.28700E+00 ppm1      0.809 ppm2      1.784
 OR { 4050}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "44  " and name "HB  ")
 OR { 4050}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "44  " and name "HB  ")
 OR { 4050}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 4050}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 4050}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 4050}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 4072}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD23")
      5.000     5.000     0.000 peak  4072 weight  0.10000E+01 volume -0.12110E+01 ppm1      1.586 ppm2      0.888
 OR { 4072}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 4072}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 4072}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 4072}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 4072}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 4072}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 4072}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD12")
 ASSI { 4071}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD13")
      5.000     5.000     0.000 peak  4071 weight  0.10000E+01 volume -0.14020E+01 ppm1      1.599 ppm2      0.993
 OR { 4071}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 4071}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 4071}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 4071}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 4071}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 4071}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 4071}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD12")
 ASSI { 4060}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "40  " and name "HG2 ")
      6.000     6.000     0.000 peak  4060 weight  0.10000E+01 volume -0.14700E+00 ppm1      0.980 ppm2      2.363
 OR { 4060}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 4060}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 4060}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "40  " and name "HG1 ")
 ASSI { 4059}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "69  " and name "HG  ")
      6.000     6.000     0.000 peak  4059 weight  0.10000E+01 volume -0.15900E+00 ppm1      0.980 ppm2      1.441
 OR { 4059}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 4059}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 4059}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 4059}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 4052}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "71  " and name "HB1 ")
      3.300     3.300     0.000 peak  4052 weight  0.10000E+01 volume -0.27420E+01 ppm1      0.980 ppm2      1.626
 OR { 4052}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 4052}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 4052}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 4052}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 4052}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 4052}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 4052}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "71  " and name "HB2 ")
 ASSI { 4053}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "71  " and name "HD12")
      2.700     2.700     0.000 peak  4053 weight  0.10000E+01 volume -0.44120E+01 ppm1      0.901 ppm2      0.993
 OR { 4053}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "71  " and name "HD12")
 OR { 4053}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "71  " and name "HD13")
 OR { 4053}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "71  " and name "HD11")
 OR { 4053}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "71  " and name "HD11")
 OR { 4053}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "71  " and name "HD13")
 OR { 4053}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "71  " and name "HD13")
 OR { 4053}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "8   " and name "HD12")
 ASSI { 4067}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "36  " and name "HG12")
      6.000     6.000     0.000 peak  4067 weight  0.10000E+01 volume -0.25400E+00 ppm1      0.901 ppm2      1.125
 OR { 4067}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "36  " and name "HG12")
 ASSI { 4054}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "71  " and name "HB1 ")
      3.300     3.300     0.000 peak  4054 weight  0.10000E+01 volume -0.26030E+01 ppm1      0.901 ppm2      1.626
 OR { 4054}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 4054}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 4054}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 4054}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 4054}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 4054}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 4054}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "71  " and name "HB1 ")
 ASSI { 4065}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak  4065 weight  0.10000E+01 volume -0.45000E+00 ppm1      0.901 ppm2      1.784
 OR { 4065}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "40  " and name "HB2 ")
 OR { 4065}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "40  " and name "HB2 ")
 ASSI { 4069}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "40  " and name "HG2 ")
      6.000     6.000     0.000 peak  4069 weight  0.10000E+01 volume -0.16600E+00 ppm1      0.901 ppm2      2.390
 OR { 4069}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 4069}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "40  " and name "HG1 ")
 ASSI { 4064}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "40  " and name "HB1 ")
      5.000     5.000     0.000 peak  4064 weight  0.10000E+01 volume -0.33500E+00 ppm1      0.901 ppm2      2.469
 OR { 4064}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 4064}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 4063}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "41  " and name "HA  ")
      5.000     5.000     0.000 peak  4063 weight  0.10000E+01 volume -0.39300E+00 ppm1      0.901 ppm2      4.103
 OR { 4063}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 4063}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 4063}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 4063}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 4078}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  4078 weight  0.10000E+01 volume -0.10800E+00 ppm1      4.221 ppm2      1.283
 ASSI { 4066}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG2 ")
      3.300     3.300     0.000 peak  4066 weight  0.10000E+01 volume -0.27980E+01 ppm1      4.221 ppm2      1.520
 OR { 4066}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4066}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB2 ")
 ASSI { 4079}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD13")
      6.000     6.000     0.000 peak  4079 weight  0.10000E+01 volume -0.88000E-01 ppm1      4.221 ppm2      0.914
 OR { 4079}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4079}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 4079}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 4079}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 4079}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG11")
 ASSI { 4083}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HD2 ")
      5.000     5.000     0.000 peak  4083 weight  0.10000E+01 volume -0.74200E+00 ppm1      1.744 ppm2      3.128
 OR { 4083}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 4083}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 4090}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  4090 weight  0.10000E+01 volume -0.54100E+00 ppm1      1.744 ppm2      4.471
 ASSI { 3181}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HD2 ")
      5.000     5.000     0.000 peak  3181 weight  0.10000E+01 volume -0.11030E+01 ppm1      1.507 ppm2      3.128
 OR { 3181}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 3181}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HD2 ")
 ASSI { 4082}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HB2 ")
      3.300     3.300     0.000 peak  4082 weight  0.10000E+01 volume -0.38870E+01 ppm1      3.128 ppm2      1.520
 OR { 4082}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 4082}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 4082}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4082}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4082}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG2 ")
 ASSI { 4088}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HB1 ")
      5.000     5.000     0.000 peak  4088 weight  0.10000E+01 volume -0.12940E+01 ppm1      3.128 ppm2      1.731
 OR { 4088}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HB1 ")
 ASSI { 4099}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     6.000     0.000 peak  4099 weight  0.10000E+01 volume -0.14700E+00 ppm1      4.379 ppm2      4.234
 ASSI { 4102}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD12")
      5.000     5.000     0.000 peak  4102 weight  0.10000E+01 volume -0.70900E+00 ppm1      1.652 ppm2      0.914
 OR { 4102}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 4102}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 4102}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 4102}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD11")
 ASSI { 4105}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD21")
      5.000     5.000     0.000 peak  4105 weight  0.10000E+01 volume -0.84300E+00 ppm1      1.560 ppm2      0.914
 OR { 4105}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 4105}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 4105}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 4105}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 4105}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD22")
 ASSI { 4113}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HA  ")
      6.000     6.000     0.000 peak  4113 weight  0.10000E+01 volume -0.11100E+00 ppm1      0.927 ppm2      4.392
 OR { 4113}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI { 4108}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HB1 ")
      5.000     5.000     0.000 peak  4108 weight  0.10000E+01 volume -0.17940E+01 ppm1      0.927 ppm2      1.599
 OR { 4108}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 4108}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 4108}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 4108}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HG  ")
 OR { 4108}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HG  ")
 OR { 4108}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HG  ")
 OR { 4108}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 4108}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "71  " and name "HB1 ")
 ASSI { 4111}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "73  " and name "HB2 ")
      5.000     5.000     0.000 peak  4111 weight  0.10000E+01 volume -0.17520E+01 ppm1      0.875 ppm2      1.599
 OR { 4111}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 4111}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 4111}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 4111}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "73  " and name "HG  ")
 OR { 4111}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "73  " and name "HG  ")
 OR { 4111}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "73  " and name "HG  ")
 OR { 4111}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 4111}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI { 4116}
     (segid "    " and resid "74  " and name "HA  ")
     (segid "    " and resid "74  " and name "HG2 ")
      5.000     5.000     0.000 peak  4116 weight  0.10000E+01 volume -0.53600E+00 ppm1      4.300 ppm2      1.652
 OR { 4116}
     (segid "    " and resid "74  " and name "HA  ")
     (segid "    " and resid "74  " and name "HG1 ")
 ASSI { 4117}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HG1 ")
      2.700     2.700     0.000 peak  4117 weight  0.10000E+01 volume -0.44150E+01 ppm1      1.876 ppm2      1.652
 OR { 4117}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HG2 ")
 ASSI { 4119}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HD2 ")
      6.000     6.000     0.000 peak  4119 weight  0.10000E+01 volume -0.98000E-01 ppm1      1.876 ppm2      3.207
 OR { 4119}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HD1 ")
 ASSI { 4122}
     (segid "    " and resid "74  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HB2 ")
      6.000     6.000     0.000 peak  4122 weight  0.10000E+01 volume -0.16600E+00 ppm1      3.207 ppm2      1.784
 OR { 4122}
     (segid "    " and resid "74  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 4530}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "3   " and name "HG21")
      6.000     6.000     0.000 peak  4530 weight  0.10000E+01 volume  0.29000E+00 ppm1      7.071 ppm2      0.577
 OR { 4530}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "3   " and name "HG23")
 OR { 4530}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "3   " and name "HG21")
 OR { 4530}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "3   " and name "HG23")
 OR { 4530}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "3   " and name "HG22")
 ASSI { 5118}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG11")
      5.000     5.000     0.000 peak  5118 weight  0.10000E+01 volume  0.65000E+00 ppm1      7.065 ppm2      0.834
 OR { 5118}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5118}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 5118}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5118}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 5342}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD13")
      5.000     5.000     0.000 peak  5342 weight  0.10000E+01 volume  0.30600E+00 ppm1      7.069 ppm2      0.044
 OR { 5342}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 5342}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5342}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5342}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 5947}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD13")
      5.000     5.000     0.000 peak  5947 weight  0.10000E+01 volume  0.48400E+00 ppm1      7.070 ppm2      0.411
 OR { 5947}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 5947}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 5947}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 5947}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 4846}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "14  " and name "HG23")
      5.000     5.000     0.000 peak  4846 weight  0.10000E+01 volume  0.57500E+00 ppm1      7.266 ppm2      1.086
 OR { 4846}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 4846}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 4846}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 4846}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 4874}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG11")
      5.000     5.000     0.000 peak  4874 weight  0.10000E+01 volume  0.38100E+00 ppm1      6.886 ppm2      1.371
 ASSI { 6106}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HG23")
      6.000     6.000     0.000 peak  6106 weight  0.10000E+01 volume  0.86000E-01 ppm1      7.444 ppm2      0.338
 OR { 6106}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HG22")
 OR { 6106}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HG22")
 OR { 6106}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HG21")
 ASSI { 4523}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak  4523 weight  0.10000E+01 volume -0.68500E+00 ppm1      7.270 ppm2      2.050
 OR { 4523}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 4524}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak  4524 weight  0.10000E+01 volume -0.58300E+00 ppm1      6.865 ppm2      2.050
 OR { 4524}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 4505}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "29  " and name "HD1 ")
      5.000     5.000     0.000 peak  4505 weight  0.10000E+01 volume  0.39800E+00 ppm1      0.653 ppm2      1.885
 OR { 4505}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "29  " and name "HD1 ")
 OR { 4505}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 4823}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "13  " and name "HG13")
      5.000     5.000     0.000 peak  4823 weight  0.10000E+01 volume  0.19890E+01 ppm1      0.657 ppm2      0.956
 OR { 4823}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "13  " and name "HG11")
 OR { 4823}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "13  " and name "HG12")
 OR { 4823}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "13  " and name "HG13")
 OR { 4823}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "13  " and name "HG11")
 OR { 4823}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "13  " and name "HG12")
 OR { 4823}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "13  " and name "HG12")
 OR { 4823}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "70  " and name "HG12")
 ASSI { 4883}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "15  " and name "HG12")
      3.300     3.300     0.000 peak  4883 weight  0.10000E+01 volume  0.26600E+01 ppm1      0.658 ppm2      1.239
 OR { 4883}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "15  " and name "HG12")
 OR { 4883}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "15  " and name "HG12")
 OR { 4883}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "42  " and name "HG2 ")
 ASSI { 4878}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "15  " and name "HG11")
      3.300     3.300     0.000 peak  4878 weight  0.10000E+01 volume  0.35030E+01 ppm1      0.654 ppm2      1.371
 OR { 4878}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HG11")
 OR { 4878}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HG11")
 OR { 4878}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "15  " and name "HG11")
 OR { 4878}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "15  " and name "HG11")
 OR { 4878}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 2276}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "1   " and name "HG2 ")
      6.000     6.000     0.000 peak  2276 weight  0.10000E+01 volume  0.12700E+00 ppm1      0.579 ppm2      2.019
 OR { 2276}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 2276}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 4121}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "29  " and name "HE1 ")
      6.000     6.000     0.000 peak  4121 weight  0.10000E+01 volume -0.12300E+00 ppm1      0.371 ppm2      3.146
 OR { 4121}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 4121}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "29  " and name "HE1 ")
 ASSI { 4022}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HB1 ")
      3.300     3.300     0.000 peak  4022 weight  0.10000E+01 volume -0.32210E+01 ppm1      1.575 ppm2      2.050
 OR { 4022}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 6385}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HB2 ")
      3.300     3.300     0.000 peak  6385 weight  0.10000E+01 volume  0.30170E+01 ppm1      1.634 ppm2      1.788
 OR { 6385}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 5595}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  5595 weight  0.10000E+01 volume -0.12020E+01 ppm1      1.483 ppm2      4.428
 OR { 5595}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 6349}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HB  ")
      5.000     5.000     0.000 peak  6349 weight  0.10000E+01 volume -0.43800E+00 ppm1      1.502 ppm2      2.079
 ASSI { 5596}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  5596 weight  0.10000E+01 volume -0.15600E+01 ppm1      1.502 ppm2      4.428
 OR { 5596}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HA  ")
 ASSI { 6149}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HB2 ")
      2.700     2.700     0.000 peak  6149 weight  0.10000E+01 volume  0.89600E+01 ppm1      2.195 ppm2      1.835
 OR { 6149}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 5855}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB2 ")
      6.000     6.000     0.000 peak  5855 weight  0.10000E+01 volume -0.27100E+00 ppm1      3.181 ppm2      1.916
 OR { 5855}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "51  " and name "HB2 ")
 ASSI { 5604}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HB2 ")
      3.300     3.300     0.000 peak  5604 weight  0.10000E+01 volume -0.20150E+01 ppm1      3.100 ppm2      1.515
 OR { 5604}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 5604}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 5604}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 5604}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HB2 ")
 ASSI { 4298}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG1 ")
      3.300     3.300     0.000 peak  4298 weight  0.10000E+01 volume -0.30060E+01 ppm1      3.111 ppm2      1.501
 OR { 4298}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 4298}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 4298}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 4298}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4298}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4298}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG2 ")
 ASSI { 5684}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD11")
      5.000     5.000     0.000 peak  5684 weight  0.10000E+01 volume -0.45200E+00 ppm1      4.910 ppm2      0.664
 OR { 5684}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 5684}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD12")
 ASSI { 2981}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  2981 weight  0.10000E+01 volume -0.52000E+00 ppm1      3.724 ppm2      2.491
 ASSI { 4494}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "2   " and name "HA  ")
      3.300     3.300     0.000 peak  4494 weight  0.10000E+01 volume  0.33190E+01 ppm1      4.911 ppm2      4.776
 ASSI { 4554}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HG13")
      6.000     6.000     0.000 peak  4554 weight  0.10000E+01 volume  0.22200E+00 ppm1      1.877 ppm2      0.568
 OR { 4554}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 4554}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HG12")
 OR { 4554}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 4554}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 4554}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HG12")
 ASSI { 4551}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG12")
      3.300     3.300     0.000 peak  4551 weight  0.10000E+01 volume -0.20790E+01 ppm1      2.054 ppm2      0.568
 OR { 4551}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 4551}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "3   " and name "HG13")
 ASSI { 4540}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "3   " and name "HG21")
      6.000     6.000     0.000 peak  4540 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.230 ppm2      0.581
 OR { 4540}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "3   " and name "HG22")
 OR { 4540}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "3   " and name "HG23")
 ASSI { 4582}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HD2 ")
      5.000     5.000     0.000 peak  4582 weight  0.10000E+01 volume  0.51700E+00 ppm1      1.064 ppm2      7.047
 OR { 4582}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 4582}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 4582}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 4582}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 4582}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 4582}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 4597}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "5   " and name "HA  ")
      5.000     5.000     0.000 peak  4597 weight  0.10000E+01 volume -0.54700E+00 ppm1      0.959 ppm2      5.444
 OR { 4597}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 4597}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 4663}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HG2 ")
      5.000     5.000     0.000 peak  4663 weight  0.10000E+01 volume -0.74800E+00 ppm1      2.900 ppm2      1.211
 OR { 4663}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HG2 ")
 ASSI { 4691}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG23")
      5.000     5.000     0.000 peak  4691 weight  0.10000E+01 volume -0.38000E+00 ppm1      2.919 ppm2      1.165
 OR { 4691}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 4691}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG21")
 ASSI { 4779}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  4779 weight  0.10000E+01 volume -0.58000E-01 ppm1      1.656 ppm2      5.305
 OR { 4779}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "12  " and name "HA  ")
 ASSI { 4797}
     (segid "    " and resid "13  " and name "HG13")
     (segid "    " and resid "13  " and name "HA  ")
      3.300     3.300     0.000 peak  4797 weight  0.10000E+01 volume  0.26690E+01 ppm1      0.965 ppm2      4.658
 OR { 4797}
     (segid "    " and resid "13  " and name "HG11")
     (segid "    " and resid "13  " and name "HA  ")
 OR { 4797}
     (segid "    " and resid "13  " and name "HG12")
     (segid "    " and resid "13  " and name "HA  ")
 ASSI { 4829}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HG23")
      6.000     6.000     0.000 peak  4829 weight  0.10000E+01 volume  0.27300E+00 ppm1      1.599 ppm2      0.884
 OR { 4829}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "13  " and name "HG22")
 OR { 4829}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 4829}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HG21")
 ASSI { 4826}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HG22")
      5.000     5.000     0.000 peak  4826 weight  0.10000E+01 volume -0.40700E+00 ppm1      2.924 ppm2      0.884
 OR { 4826}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 4826}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 4826}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HG23")
 ASSI { 4858}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  4858 weight  0.10000E+01 volume -0.21000E+00 ppm1      1.895 ppm2      4.412
 OR { 4858}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 4858}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "15  " and name "HA  ")
 ASSI { 4871}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "15  " and name "HB  ")
      5.000     5.000     0.000 peak  4871 weight  0.10000E+01 volume -0.13350E+01 ppm1      0.665 ppm2      1.696
 OR { 4871}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 4871}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 4896}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG21")
      5.000     5.000     0.000 peak  4896 weight  0.10000E+01 volume  0.51800E+00 ppm1      1.683 ppm2      0.938
 OR { 4896}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG22")
 ASSI { 4942}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG13")
      5.000     5.000     0.000 peak  4942 weight  0.10000E+01 volume  0.35300E+00 ppm1      1.680 ppm2      0.641
 OR { 4942}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG12")
 OR { 4942}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG11")
 ASSI { 4963}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG21")
      6.000     6.000     0.000 peak  4963 weight  0.10000E+01 volume  0.94000E-01 ppm1      1.674 ppm2      0.383
 OR { 4963}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 4963}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG23")
 OR { 4963}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG22")
 OR { 4963}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG22")
 ASSI { 4981}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "18  " and name "HB1 ")
      5.000     5.000     0.000 peak  4981 weight  0.10000E+01 volume -0.42700E+00 ppm1      3.732 ppm2      2.099
 ASSI { 5017}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  5017 weight  0.10000E+01 volume -0.66600E+00 ppm1      3.729 ppm2      2.018
 ASSI { 5220}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "26  " and name "HE2 ")
      5.000     5.000     0.000 peak  5220 weight  0.10000E+01 volume  0.38200E+00 ppm1      0.751 ppm2      6.891
 OR { 5220}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 5220}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 5220}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 5220}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 5220}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "26  " and name "HE1 ")
 ASSI { 5188}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "26  " and name "HZ  ")
      6.000     6.000     0.000 peak  5188 weight  0.10000E+01 volume  0.11800E+00 ppm1      0.657 ppm2      6.813
 OR { 5188}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "26  " and name "HZ  ")
 OR { 5188}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "26  " and name "HZ  ")
 ASSI { 5280}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HB3 ")
      6.000     6.000     0.000 peak  5280 weight  0.10000E+01 volume  0.18400E+00 ppm1      2.196 ppm2      1.630
 OR { 5280}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 5280}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 5349}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "30  " and name "HD11")
      6.000     6.000     0.000 peak  5349 weight  0.10000E+01 volume  0.17100E+00 ppm1      0.968 ppm2      0.044
 OR { 5349}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "30  " and name "HD13")
 OR { 5349}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5349}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5349}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "30  " and name "HD11")
 OR { 5349}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5349}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "30  " and name "HD13")
 OR { 5349}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 5352}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HD11")
      3.300     3.300     0.000 peak  5352 weight  0.10000E+01 volume  0.33910E+01 ppm1      0.750 ppm2      0.044
 OR { 5352}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5352}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HD13")
 OR { 5352}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HD11")
 OR { 5352}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5352}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5352}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 5333}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HG23")
      5.000     5.000     0.000 peak  5333 weight  0.10000E+01 volume  0.31900E+00 ppm1      2.281 ppm2      0.519
 OR { 5333}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 5333}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 5328}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG23")
      6.000     6.000     0.000 peak  5328 weight  0.10000E+01 volume -0.65000E-01 ppm1      4.488 ppm2      0.519
 OR { 5328}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 5328}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 5383}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HB1 ")
      6.000     6.000     0.000 peak  5383 weight  0.10000E+01 volume -0.94000E-01 ppm1      1.599 ppm2      2.821
 OR { 5383}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HB1 ")
 ASSI { 5384}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HB2 ")
      6.000     6.000     0.000 peak  5384 weight  0.10000E+01 volume -0.11500E+00 ppm1      1.600 ppm2      2.741
 OR { 5384}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HB2 ")
 ASSI { 5392}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HB1 ")
      2.700     2.700     0.000 peak  5392 weight  0.10000E+01 volume -0.45770E+01 ppm1      1.593 ppm2      1.925
 OR { 5392}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 5394}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HB2 ")
      2.700     2.700     0.000 peak  5394 weight  0.10000E+01 volume -0.41370E+01 ppm1      1.599 ppm2      1.857
 OR { 5394}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HB2 ")
 ASSI { 5406}
     (segid "    " and resid "13  " and name "HG12")
     (segid "    " and resid "33  " and name "HD1 ")
      5.000     5.000     0.000 peak  5406 weight  0.10000E+01 volume  0.72000E+00 ppm1      0.957 ppm2      1.710
 OR { 5406}
     (segid "    " and resid "13  " and name "HG11")
     (segid "    " and resid "33  " and name "HD1 ")
 OR { 5406}
     (segid "    " and resid "13  " and name "HG11")
     (segid "    " and resid "33  " and name "HD2 ")
 OR { 5406}
     (segid "    " and resid "13  " and name "HG12")
     (segid "    " and resid "33  " and name "HD2 ")
 ASSI { 5528}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  5528 weight  0.10000E+01 volume  0.42900E+00 ppm1      1.616 ppm2      4.056
 ASSI { 5559}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "40  " and name "HB1 ")
      5.000     5.000     0.000 peak  5559 weight  0.10000E+01 volume  0.58200E+00 ppm1      0.896 ppm2      2.468
 OR { 5559}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 5559}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 5571}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
      5.000     5.000     0.000 peak  5571 weight  0.10000E+01 volume -0.10080E+01 ppm1      0.860 ppm2      4.090
 OR { 5571}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 5668}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HG12")
      5.000     5.000     0.000 peak  5668 weight  0.10000E+01 volume  0.16640E+01 ppm1      0.653 ppm2      1.079
 OR { 5668}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HG12")
 OR { 5668}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HG12")
 ASSI { 5663}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG12")
      6.000     6.000     0.000 peak  5663 weight  0.10000E+01 volume -0.11700E+00 ppm1      4.898 ppm2      1.079
 ASSI { 5678}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG21")
      6.000     6.000     0.000 peak  5678 weight  0.10000E+01 volume  0.90000E-01 ppm1      1.954 ppm2      0.682
 OR { 5678}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 5678}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 5678}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG21")
 ASSI { 5763}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HA  ")
      3.300     3.300     0.000 peak  5763 weight  0.10000E+01 volume -0.28540E+01 ppm1      1.962 ppm2      4.894
 OR { 5763}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 5767}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HG1 ")
      5.000     5.000     0.000 peak  5767 weight  0.10000E+01 volume -0.77000E+00 ppm1      0.664 ppm2      2.259
 OR { 5767}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 5767}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 5767}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 5767}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 5770}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG1 ")
      5.000     5.000     0.000 peak  5770 weight  0.10000E+01 volume  0.92200E+00 ppm1      4.901 ppm2      2.259
 OR { 5770}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 5867}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HB1 ")
      3.300     3.300     0.000 peak  5867 weight  0.10000E+01 volume  0.35550E+01 ppm1      4.371 ppm2      2.661
 ASSI { 6057}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  6057 weight  0.10000E+01 volume -0.21100E+00 ppm1      3.182 ppm2      6.864
 OR { 6057}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 6132}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "61  " and name "HD11")
      6.000     6.000     0.000 peak  6132 weight  0.10000E+01 volume  0.15000E+00 ppm1      1.487 ppm2      0.389
 OR { 6132}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 6123}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD13")
      6.000     6.000     0.000 peak  6123 weight  0.10000E+01 volume  0.13200E+00 ppm1      3.983 ppm2      0.389
 OR { 6123}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6123}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD11")
 ASSI { 6112}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "61  " and name "HG23")
      6.000     6.000     0.000 peak  6112 weight  0.10000E+01 volume -0.13500E+00 ppm1      2.056 ppm2      0.338
 OR { 6112}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "61  " and name "HG21")
 OR { 6112}
     (segid "    " and resid "3   " and name "HB  ")
     (segid "    " and resid "61  " and name "HG22")
 ASSI { 6304}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "68  " and name "HB2 ")
      6.000     6.000     0.000 peak  6304 weight  0.10000E+01 volume  0.17700E+00 ppm1      1.358 ppm2      3.092
 OR { 6304}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 6311}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "69  " and name "HA  ")
      5.000     5.000     0.000 peak  6311 weight  0.10000E+01 volume -0.14380E+01 ppm1      0.752 ppm2      5.074
 OR { 6311}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 6311}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 6358}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "70  " and name "HG21")
      5.000     5.000     0.000 peak  6358 weight  0.10000E+01 volume  0.88100E+00 ppm1      0.661 ppm2      0.808
 OR { 6358}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "70  " and name "HG21")
 OR { 6358}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "70  " and name "HG22")
 OR { 6358}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "70  " and name "HG22")
 OR { 6358}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "70  " and name "HG22")
 OR { 6358}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "70  " and name "HG23")
 ASSI { 6360}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     6.000     0.000 peak  6360 weight  0.10000E+01 volume -0.11900E+00 ppm1      0.914 ppm2      4.216
 OR { 6360}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "72  " and name "HA  ")
 OR { 6360}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI { 6361}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HA  ")
      5.000     5.000     0.000 peak  6361 weight  0.10000E+01 volume -0.12360E+01 ppm1      1.513 ppm2      4.216
 ASSI { 6369}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HB1 ")
      2.700     2.700     0.000 peak  6369 weight  0.10000E+01 volume  0.45900E+01 ppm1      1.488 ppm2      1.739
 OR { 6369}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HB1 ")
 ASSI { 4945}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG11")
      5.000     5.000     0.000 peak  4945 weight  0.10000E+01 volume  0.17110E+01 ppm1      1.518 ppm2      0.605
 OR { 4945}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HG12")
 OR { 4945}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 4945}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 4945}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 4945}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HG12")
 ASSI { 4794}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "12  " and name "HG22")
      5.000     5.000     0.000 peak  4794 weight  0.10000E+01 volume -0.15260E+01 ppm1      2.813 ppm2      1.048
 OR { 4794}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 4794}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 4793}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "12  " and name "HG21")
      5.000     5.000     0.000 peak  4793 weight  0.10000E+01 volume -0.72100E+00 ppm1      3.107 ppm2      1.048
 OR { 4793}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 4793}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 4806}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG23")
      5.000     5.000     0.000 peak  4806 weight  0.10000E+01 volume -0.43800E+00 ppm1      5.440 ppm2      0.956
 OR { 4806}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 4806}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 4806}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG13")
 ASSI { 5425}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "34  " and name "HG1 ")
      5.000     5.000     0.000 peak  5425 weight  0.10000E+01 volume -0.49900E+00 ppm1      0.684 ppm2      2.001
 OR { 5425}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 5425}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 5425}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "34  " and name "HG1 ")
 ASSI { 4808}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG12")
      5.000     5.000     0.000 peak  4808 weight  0.10000E+01 volume -0.39100E+00 ppm1      5.201 ppm2      0.956
 OR { 4808}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG13")
 OR { 4808}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HG11")
 ASSI { 4795}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG21")
      5.000     5.000     0.000 peak  4795 weight  0.10000E+01 volume  0.48900E+00 ppm1      1.537 ppm2      1.048
 OR { 4795}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 4795}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 4795}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG22")
 ASSI { 4753}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "11  " and name "HA  ")
      6.000     6.000     0.000 peak  4753 weight  0.10000E+01 volume  0.50000E-01 ppm1      3.605 ppm2      4.364
 ASSI { 4790}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG21")
      3.300     3.300     0.000 peak  4790 weight  0.10000E+01 volume  0.30660E+01 ppm1      5.303 ppm2      1.048
 OR { 4790}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 4790}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 4792}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG23")
      3.300     3.300     0.000 peak  4792 weight  0.10000E+01 volume  0.33920E+01 ppm1      3.924 ppm2      1.048
 OR { 4792}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 4792}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG21")
 ASSI { 5300}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  5300 weight  0.10000E+01 volume  0.82000E-01 ppm1      0.935 ppm2      3.323
 OR { 5300}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 5300}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 4502}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HB2 ")
      3.300     3.300     0.000 peak  4502 weight  0.10000E+01 volume -0.32200E+01 ppm1      2.208 ppm2      1.885
 ASSI { 5589}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "41  " and name "HB1 ")
      5.000     5.000     0.000 peak  5589 weight  0.10000E+01 volume -0.77500E+00 ppm1      2.750 ppm2      1.798
 ASSI { 5254}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "27  " and name "HG2 ")
      5.000     5.000     0.000 peak  5254 weight  0.10000E+01 volume -0.56500E+00 ppm1      2.611 ppm2      1.540
 ASSI { 5023}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "38  " and name "HG1 ")
      5.000     5.000     0.000 peak  5023 weight  0.10000E+01 volume -0.40000E+00 ppm1      4.161 ppm2      2.195
 ASSI { 4499}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD1 ")
      5.000     5.000     0.000 peak  4499 weight  0.10000E+01 volume  0.35700E+00 ppm1      4.175 ppm2      1.885
 ASSI { 5340}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "30  " and name "HG21")
      5.000     5.000     0.000 peak  5340 weight  0.10000E+01 volume  0.65000E+00 ppm1      0.331 ppm2      0.519
 OR { 5340}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "30  " and name "HG22")
 OR { 5340}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "30  " and name "HG23")
 ASSI { 5424}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HG1 ")
      5.000     5.000     0.000 peak  5424 weight  0.10000E+01 volume -0.42300E+00 ppm1      0.789 ppm2      2.001
 OR { 5424}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 5424}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HG1 ")
 ASSI { 4437}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HB1 ")
      5.000     5.000     0.000 peak  4437 weight  0.10000E+01 volume  0.73000E+00 ppm1      3.931 ppm2      2.122
 ASSI { 5685}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD13")
      6.000     6.000     0.000 peak  5685 weight  0.10000E+01 volume  0.16300E+00 ppm1      3.090 ppm2      0.658
 OR { 5685}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 5685}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 5685}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD12")
 ASSI { 6328}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
      3.300     3.300     0.000 peak  6328 weight  0.10000E+01 volume -0.28210E+01 ppm1      5.074 ppm2      0.801
 OR { 6328}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6328}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 6328}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 6328}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD23")
 ASSI { 5422}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "34  " and name "HG1 ")
      5.000     5.000     0.000 peak  5422 weight  0.10000E+01 volume -0.35800E+00 ppm1      0.788 ppm2      2.001
 OR { 5422}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 5422}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 5422}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 1801}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HB1 ")
      5.000     5.000     0.000 peak  1801 weight  0.10000E+01 volume -0.19640E+01 ppm1      4.182 ppm2      2.126
 ASSI { 1809}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HG2 ")
      2.700     2.700     0.000 peak  1809 weight  0.10000E+01 volume -0.44100E+01 ppm1      2.126 ppm2      2.021
 ASSI { 4481}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "1   " and name "HB1 ")
      5.000     5.000     0.000 peak  4481 weight  0.10000E+01 volume -0.12920E+01 ppm1      1.519 ppm2      2.123
 OR { 4481}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "1   " and name "HB1 ")
 OR { 4481}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "1   " and name "HB1 ")
 ASSI { 4470}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  4470 weight  0.10000E+01 volume -0.15400E+00 ppm1      1.519 ppm2      4.172
 OR { 4470}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 4470}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 1967}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG11")
      3.300     3.300     0.000 peak  1967 weight  0.10000E+01 volume -0.23800E+01 ppm1      1.520 ppm2      0.572
 OR { 1967}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 1967}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 1967}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HG12")
 OR { 1967}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 1967}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HG13")
 OR { 1967}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 1967}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HG12")
 OR { 1967}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG12")
 ASSI { 1979}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  1979 weight  0.10000E+01 volume -0.22700E+00 ppm1      1.520 ppm2      5.025
 OR { 1979}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 1979}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "18  " and name "HA  ")
 ASSI { 1970}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  1970 weight  0.10000E+01 volume -0.14160E+01 ppm1      1.520 ppm2      3.997
 OR { 1970}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 1970}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 1972}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  1972 weight  0.10000E+01 volume -0.57300E+00 ppm1      1.520 ppm2      2.337
 OR { 1972}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 1972}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 4473}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  4473 weight  0.10000E+01 volume -0.14990E+01 ppm1      1.519 ppm2      4.016
 OR { 4473}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 4473}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "19  " and name "HD1 ")
 ASSI { 1973}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HD2 ")
      5.000     5.000     0.000 peak  1973 weight  0.10000E+01 volume -0.59700E+00 ppm1      1.520 ppm2      3.734
 OR { 1973}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 1973}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "19  " and name "HD2 ")
 ASSI { 1978}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "56  " and name "HB1 ")
      6.000     6.000     0.000 peak  1978 weight  0.10000E+01 volume -0.22100E+00 ppm1      1.520 ppm2      1.046
 OR { 1978}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "56  " and name "HB1 ")
 OR { 1978}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 1983}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak  1983 weight  0.10000E+01 volume -0.95000E-01 ppm1      1.520 ppm2      3.180
 OR { 1983}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 1983}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HA  ")
 ASSI { 1976}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HB  ")
      6.000     6.000     0.000 peak  1976 weight  0.10000E+01 volume -0.27100E+00 ppm1      1.520 ppm2      1.125
 OR { 1976}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HB  ")
 OR { 1976}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HB  ")
 ASSI { 1969}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  1969 weight  0.10000E+01 volume -0.11160E+01 ppm1      1.520 ppm2      4.551
 OR { 1969}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 1969}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "62  " and name "HA  ")
 ASSI { 1831}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HA  ")
      5.000     5.000     0.000 peak  1831 weight  0.10000E+01 volume -0.45100E+00 ppm1      2.021 ppm2      4.182
 ASSI { 1819}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HB2 ")
      2.700     2.700     0.000 peak  1819 weight  0.10000E+01 volume -0.44450E+01 ppm1      2.495 ppm2      2.021
 ASSI { 1829}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  1829 weight  0.10000E+01 volume -0.66100E+00 ppm1      2.021 ppm2      1.520
 OR { 1829}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 1829}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 4455}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HG2 ")
      2.700     2.700     0.000 peak  4455 weight  0.10000E+01 volume -0.46550E+01 ppm1      2.493 ppm2      2.014
 ASSI { 1822}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "17  " and name "HG23")
      5.000     5.000     0.000 peak  1822 weight  0.10000E+01 volume -0.65600E+00 ppm1      2.495 ppm2      0.387
 OR { 1822}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 1822}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "17  " and name "HG22")
 ASSI { 1830}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "17  " and name "HG22")
      5.000     5.000     0.000 peak  1830 weight  0.10000E+01 volume -0.47700E+00 ppm1      2.021 ppm2      0.387
 OR { 1830}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 1830}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "17  " and name "HG23")
 ASSI { 4133}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "14  " and name "HB  ")
      6.000     6.000     0.000 peak  4133 weight  0.10000E+01 volume -0.10400E+00 ppm1      2.311 ppm2      4.024
 ASSI { 1858}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HG13")
      3.300     3.300     0.000 peak  1858 weight  0.10000E+01 volume -0.30540E+01 ppm1      4.182 ppm2      0.572
 OR { 1858}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HG11")
 OR { 1858}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HG12")
 ASSI { 4519}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HG23")
      3.300     3.300     0.000 peak  4519 weight  0.10000E+01 volume -0.31390E+01 ppm1      4.174 ppm2      0.578
 OR { 4519}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HG21")
 OR { 4519}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HG22")
 ASSI { 1864}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "61  " and name "HG21")
      6.000     6.000     0.000 peak  1864 weight  0.10000E+01 volume -0.16500E+00 ppm1      4.182 ppm2      0.361
 OR { 1864}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "61  " and name "HG23")
 OR { 1864}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "61  " and name "HG22")
 ASSI { 1860}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "64  " and name "HA  ")
      5.000     5.000     0.000 peak  1860 weight  0.10000E+01 volume -0.11430E+01 ppm1      4.182 ppm2      3.154
 ASSI { 1861}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
      6.000     6.000     0.000 peak  1861 weight  0.10000E+01 volume -0.22300E+00 ppm1      4.182 ppm2      0.703
 OR { 1861}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 1861}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 ASSI { 4553}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "1   " and name "HG2 ")
      3.300     3.300     0.000 peak  4553 weight  0.10000E+01 volume -0.22960E+01 ppm1      0.568 ppm2      2.021
 OR { 4553}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 4553}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 1899}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "15  " and name "HB  ")
      6.000     6.000     0.000 peak  1899 weight  0.10000E+01 volume -0.12200E+00 ppm1      0.572 ppm2      1.678
 OR { 1899}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 1899}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 1900}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "26  " and name "HZ  ")
      6.000     6.000     0.000 peak  1900 weight  0.10000E+01 volume -0.91000E-01 ppm1      0.572 ppm2      6.817
 OR { 1900}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "26  " and name "HZ  ")
 OR { 1900}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "26  " and name "HZ  ")
 ASSI { 1889}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "61  " and name "HG21")
      3.300     3.300     0.000 peak  1889 weight  0.10000E+01 volume -0.28160E+01 ppm1      0.572 ppm2      0.361
 OR { 1889}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "61  " and name "HG23")
 OR { 1889}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "61  " and name "HG22")
 OR { 1889}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "61  " and name "HG21")
 OR { 1889}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "61  " and name "HG23")
 OR { 1889}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "61  " and name "HG21")
 OR { 1889}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "61  " and name "HG22")
 OR { 1889}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "61  " and name "HG22")
 OR { 1889}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "61  " and name "HG23")
 ASSI { 1896}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "64  " and name "HA  ")
      6.000     6.000     0.000 peak  1896 weight  0.10000E+01 volume -0.14700E+00 ppm1      0.572 ppm2      3.154
 OR { 1896}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "64  " and name "HA  ")
 OR { 1896}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 4547}
     (segid "    " and resid "3   " and name "HG12")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  4547 weight  0.10000E+01 volume -0.45100E+00 ppm1      0.568 ppm2      3.971
 OR { 4547}
     (segid "    " and resid "3   " and name "HG11")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 4547}
     (segid "    " and resid "3   " and name "HG13")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 1880}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "4   " and name "HA  ")
      6.000     6.000     0.000 peak  1880 weight  0.10000E+01 volume -0.10000E+00 ppm1      0.585 ppm2      5.446
 OR { 1880}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 1880}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 1870}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "15  " and name "HB  ")
      5.000     5.000     0.000 peak  1870 weight  0.10000E+01 volume -0.11480E+01 ppm1      0.585 ppm2      1.705
 OR { 1870}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 1870}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 1876}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "26  " and name "HE1 ")
      5.000     5.000     0.000 peak  1876 weight  0.10000E+01 volume -0.60900E+00 ppm1      0.585 ppm2      6.896
 OR { 1876}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 1876}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 1876}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 1876}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 1876}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "26  " and name "HE2 ")
 ASSI { 1873}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "26  " and name "HZ  ")
      5.000     5.000     0.000 peak  1873 weight  0.10000E+01 volume -0.76300E+00 ppm1      0.585 ppm2      6.817
 OR { 1873}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "26  " and name "HZ  ")
 OR { 1873}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "26  " and name "HZ  ")
 ASSI { 4542}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  4542 weight  0.10000E+01 volume -0.11400E+00 ppm1      0.581 ppm2      1.179
 OR { 4542}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "67  " and name "HG12")
 OR { 4542}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "67  " and name "HG12")
 ASSI { 1902}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HB1 ")
      5.000     5.000     0.000 peak  1902 weight  0.10000E+01 volume -0.13280E+01 ppm1      5.446 ppm2      2.811
 ASSI { 1904}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HB2 ")
      5.000     5.000     0.000 peak  1904 weight  0.10000E+01 volume -0.83100E+00 ppm1      5.446 ppm2      3.128
 ASSI { 1903}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HD1 ")
      5.000     5.000     0.000 peak  1903 weight  0.10000E+01 volume -0.10620E+01 ppm1      5.446 ppm2      7.054
 OR { 1903}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 1909}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HE1 ")
      6.000     6.000     0.000 peak  1909 weight  0.10000E+01 volume -0.98000E-01 ppm1      5.433 ppm2      7.265
 OR { 1909}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HE2 ")
 ASSI { 1906}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG23")
      5.000     5.000     0.000 peak  1906 weight  0.10000E+01 volume -0.42500E+00 ppm1      5.446 ppm2      1.046
 OR { 1906}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 1906}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG21")
 ASSI { 1901}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "14  " and name "HA  ")
      5.000     5.000     0.000 peak  1901 weight  0.10000E+01 volume -0.15510E+01 ppm1      5.446 ppm2      5.104
 ASSI { 1911}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "14  " and name "HB  ")
      6.000     6.000     0.000 peak  1911 weight  0.10000E+01 volume -0.80000E-01 ppm1      5.433 ppm2      4.024
 ASSI { 1905}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "14  " and name "HG22")
      5.000     5.000     0.000 peak  1905 weight  0.10000E+01 volume -0.50600E+00 ppm1      5.446 ppm2      1.099
 OR { 1905}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 1905}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "14  " and name "HG23")
 ASSI { 1917}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HB1 ")
      3.300     3.300     0.000 peak  1917 weight  0.10000E+01 volume -0.26820E+01 ppm1      3.114 ppm2      2.811
 ASSI { 1924}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HD2 ")
      5.000     5.000     0.000 peak  1924 weight  0.10000E+01 volume -0.45900E+00 ppm1      2.825 ppm2      7.054
 OR { 1924}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 1921}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HD2 ")
      5.000     5.000     0.000 peak  1921 weight  0.10000E+01 volume -0.52500E+00 ppm1      3.114 ppm2      7.054
 OR { 1921}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 1923}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     5.000     0.000 peak  1923 weight  0.10000E+01 volume -0.52500E+00 ppm1      2.811 ppm2      5.315
 ASSI { 1918}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     5.000     0.000 peak  1918 weight  0.10000E+01 volume -0.92600E+00 ppm1      3.114 ppm2      5.341
 ASSI { 4585}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "64  " and name "HA  ")
      5.000     5.000     0.000 peak  4585 weight  0.10000E+01 volume -0.55700E+00 ppm1      7.047 ppm2      3.153
 OR { 4585}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 1986}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "4   " and name "HD2 ")
      5.000     5.000     0.000 peak  1986 weight  0.10000E+01 volume -0.65600E+00 ppm1      7.238 ppm2      7.054
 OR { 1986}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 1988}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "64  " and name "HB1 ")
      6.000     6.000     0.000 peak  1988 weight  0.10000E+01 volume -0.13900E+00 ppm1      7.238 ppm2      2.469
 ASSI { 1929}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HB1 ")
      5.000     5.000     0.000 peak  1929 weight  0.10000E+01 volume -0.12630E+01 ppm1      5.446 ppm2      1.889
 ASSI { 1928}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HB2 ")
      5.000     5.000     0.000 peak  1928 weight  0.10000E+01 volume -0.13420E+01 ppm1      5.446 ppm2      1.125
 ASSI { 4594}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD21")
      5.000     5.000     0.000 peak  4594 weight  0.10000E+01 volume -0.11120E+01 ppm1      5.444 ppm2      0.686
 OR { 4594}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD22")
 OR { 4594}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD23")
 ASSI { 1930}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG  ")
      5.000     5.000     0.000 peak  1930 weight  0.10000E+01 volume -0.68800E+00 ppm1      5.446 ppm2      1.309
 ASSI { 2369}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  2369 weight  0.10000E+01 volume -0.11500E+01 ppm1      5.442 ppm2      1.851
 ASSI { 1932}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HB1 ")
      3.300     3.300     0.000 peak  1932 weight  0.10000E+01 volume -0.29900E+01 ppm1      1.125 ppm2      1.916
 ASSI { 4605}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD11")
      5.000     5.000     0.000 peak  4605 weight  0.10000E+01 volume -0.83500E+00 ppm1      1.899 ppm2      0.753
 OR { 4605}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD13")
 OR { 4605}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD12")
 ASSI { 1943}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HD21")
      5.000     5.000     0.000 peak  1943 weight  0.10000E+01 volume -0.93400E+00 ppm1      1.125 ppm2      0.677
 OR { 1943}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HD23")
 OR { 1943}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HD22")
 ASSI { 1934}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG  ")
      5.000     5.000     0.000 peak  1934 weight  0.10000E+01 volume -0.98000E+00 ppm1      1.902 ppm2      1.309
 ASSI { 1940}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG  ")
      5.000     5.000     0.000 peak  1940 weight  0.10000E+01 volume -0.14090E+01 ppm1      1.125 ppm2      1.309
 ASSI { 1938}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "13  " and name "HB  ")
      5.000     5.000     0.000 peak  1938 weight  0.10000E+01 volume -0.38800E+00 ppm1      1.902 ppm2      2.153
 ASSI { 2009}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "26  " and name "HE2 ")
      5.000     5.000     0.000 peak  2009 weight  0.10000E+01 volume -0.33100E+00 ppm1      0.756 ppm2      6.896
 OR { 2009}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2009}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2009}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2009}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2009}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "26  " and name "HE1 ")
 ASSI { 2007}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "26  " and name "HZ  ")
      5.000     5.000     0.000 peak  2007 weight  0.10000E+01 volume -0.46700E+00 ppm1      0.756 ppm2      6.817
 OR { 2007}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "26  " and name "HZ  ")
 OR { 2007}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "26  " and name "HZ  ")
 ASSI { 2006}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  2006 weight  0.10000E+01 volume -0.17310E+01 ppm1      0.756 ppm2      1.836
 OR { 2006}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 2006}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 2019}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "13  " and name "HB  ")
      6.000     6.000     0.000 peak  2019 weight  0.10000E+01 volume -0.18800E+00 ppm1      0.690 ppm2      2.153
 OR { 2019}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "13  " and name "HB  ")
 OR { 2019}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "13  " and name "HB  ")
 ASSI { 2020}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  2020 weight  0.10000E+01 volume -0.14800E+00 ppm1      0.690 ppm2      3.312
 OR { 2020}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 2020}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 1994}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "30  " and name "HG11")
      5.000     5.000     0.000 peak  1994 weight  0.10000E+01 volume -0.18660E+01 ppm1      0.690 ppm2      1.309
 OR { 1994}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "30  " and name "HG11")
 OR { 1994}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "30  " and name "HG11")
 ASSI { 2015}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "30  " and name "HG12")
      5.000     5.000     0.000 peak  2015 weight  0.10000E+01 volume -0.52700E+00 ppm1      0.690 ppm2      0.334
 OR { 2015}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "30  " and name "HG12")
 OR { 2015}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 2025}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     5.000     0.000 peak  2025 weight  0.10000E+01 volume -0.10060E+01 ppm1      5.196 ppm2      1.652
 ASSI { 2024}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HB2 ")
      5.000     5.000     0.000 peak  2024 weight  0.10000E+01 volume -0.14390E+01 ppm1      5.196 ppm2      1.336
 ASSI { 2028}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HD2 ")
      5.000     5.000     0.000 peak  2028 weight  0.10000E+01 volume -0.54500E+00 ppm1      5.196 ppm2      1.547
 OR { 2028}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HD1 ")
 ASSI { 4640}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HG1 ")
      5.000     5.000     0.000 peak  4640 weight  0.10000E+01 volume -0.12500E+01 ppm1      5.204 ppm2      1.375
 ASSI { 2026}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HG2 ")
      5.000     5.000     0.000 peak  2026 weight  0.10000E+01 volume -0.81400E+00 ppm1      5.196 ppm2      1.204
 ASSI { 2008}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "12  " and name "HA  ")
      3.300     3.300     0.000 peak  2008 weight  0.10000E+01 volume -0.24850E+01 ppm1      5.196 ppm2      5.315
 ASSI { 2027}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG22")
      5.000     5.000     0.000 peak  2027 weight  0.10000E+01 volume -0.49200E+00 ppm1      5.196 ppm2      1.046
 OR { 2027}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2027}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 2034}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HB1 ")
      3.300     3.300     0.000 peak  2034 weight  0.10000E+01 volume -0.26770E+01 ppm1      1.336 ppm2      1.652
 ASSI { 2044}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HD2 ")
      5.000     5.000     0.000 peak  2044 weight  0.10000E+01 volume -0.62400E+00 ppm1      1.336 ppm2      1.547
 OR { 2044}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HD1 ")
 ASSI { 2038}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HG2 ")
      5.000     5.000     0.000 peak  2038 weight  0.10000E+01 volume -0.49200E+00 ppm1      1.665 ppm2      1.204
 ASSI { 2040}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HG2 ")
      5.000     5.000     0.000 peak  2040 weight  0.10000E+01 volume -0.69500E+00 ppm1      1.336 ppm2      1.204
 ASSI { 2046}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "12  " and name "HG22")
      6.000     6.000     0.000 peak  2046 weight  0.10000E+01 volume -0.88000E-01 ppm1      1.336 ppm2      1.046
 OR { 2046}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2046}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 2037}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "68  " and name "HA  ")
      5.000     5.000     0.000 peak  2037 weight  0.10000E+01 volume -0.56500E+00 ppm1      1.652 ppm2      4.999
 ASSI { 2045}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "68  " and name "HA  ")
      5.000     5.000     0.000 peak  2045 weight  0.10000E+01 volume -0.38200E+00 ppm1      1.336 ppm2      4.999
 ASSI { 2061}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2061 weight  0.10000E+01 volume -0.13700E+00 ppm1      1.547 ppm2      5.315
 OR { 2061}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HA  ")
 ASSI { 2059}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG23")
      6.000     6.000     0.000 peak  2059 weight  0.10000E+01 volume -0.14200E+00 ppm1      1.547 ppm2      1.046
 OR { 2059}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2059}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2059}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2059}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 2059}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG22")
 ASSI { 4660}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  4660 weight  0.10000E+01 volume -0.64000E-01 ppm1      1.375 ppm2      5.310
 ASSI { 2173}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "68  " and name "HA  ")
      6.000     6.000     0.000 peak  2173 weight  0.10000E+01 volume -0.86000E-01 ppm1      1.375 ppm2      4.993
 ASSI { 4688}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  4688 weight  0.10000E+01 volume -0.70100E+00 ppm1      1.165 ppm2      5.207
 OR { 4688}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 4688}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "6   " and name "HA  ")
 ASSI { 2072}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "7   " and name "HB  ")
      3.300     3.300     0.000 peak  2072 weight  0.10000E+01 volume -0.39090E+01 ppm1      1.165 ppm2      4.761
 OR { 2072}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "7   " and name "HB  ")
 OR { 2072}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "7   " and name "HB  ")
 ASSI { 2081}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HB2 ")
      5.000     5.000     0.000 peak  2081 weight  0.10000E+01 volume -0.67600E+00 ppm1      1.165 ppm2      1.678
 OR { 2081}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 2081}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 2082}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "34  " and name "HG1 ")
      5.000     5.000     0.000 peak  2082 weight  0.10000E+01 volume -0.41300E+00 ppm1      1.165 ppm2      1.995
 OR { 2082}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 2082}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2082}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2082}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 2082}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 2080}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "69  " and name "HB1 ")
      5.000     5.000     0.000 peak  2080 weight  0.10000E+01 volume -0.70000E+00 ppm1      1.165 ppm2      1.810
 OR { 2080}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 2080}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 2075}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HB1 ")
      3.300     3.300     0.000 peak  2075 weight  0.10000E+01 volume -0.28360E+01 ppm1      4.300 ppm2      1.705
 ASSI { 2076}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HB2 ")
      3.300     3.300     0.000 peak  2076 weight  0.10000E+01 volume -0.22860E+01 ppm1      4.300 ppm2      1.942
 ASSI { 4700}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD11")
      5.000     5.000     0.000 peak  4700 weight  0.10000E+01 volume -0.72500E+00 ppm1      4.287 ppm2      1.019
 OR { 4700}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 4700}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD13")
 ASSI { 2069}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD22")
      3.300     3.300     0.000 peak  2069 weight  0.10000E+01 volume -0.23250E+01 ppm1      4.287 ppm2      0.967
 OR { 2069}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 2069}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD23")
 ASSI { 2085}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HG  ")
      5.000     5.000     0.000 peak  2085 weight  0.10000E+01 volume -0.18020E+01 ppm1      4.300 ppm2      1.836
 ASSI { 2093}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HB2 ")
      2.700     2.700     0.000 peak  2093 weight  0.10000E+01 volume -0.41870E+01 ppm1      1.718 ppm2      1.916
 ASSI { 2096}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD12")
      5.000     5.000     0.000 peak  2096 weight  0.10000E+01 volume -0.80000E+00 ppm1      1.705 ppm2      1.020
 OR { 2096}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 2096}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD13")
 ASSI { 2084}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD12")
      5.000     5.000     0.000 peak  2084 weight  0.10000E+01 volume -0.90100E+00 ppm1      1.929 ppm2      1.020
 OR { 2084}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 2084}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD11")
 ASSI { 2097}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD22")
      5.000     5.000     0.000 peak  2097 weight  0.10000E+01 volume -0.79100E+00 ppm1      1.718 ppm2      0.967
 OR { 2097}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 2097}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD21")
 ASSI { 4708}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD22")
      5.000     5.000     0.000 peak  4708 weight  0.10000E+01 volume -0.45200E+00 ppm1      1.932 ppm2      0.963
 OR { 4708}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 4708}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD21")
 ASSI { 4704}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HG  ")
      5.000     5.000     0.000 peak  4704 weight  0.10000E+01 volume -0.15420E+01 ppm1      1.932 ppm2      1.825
 ASSI { 2090}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HG21")
      6.000     6.000     0.000 peak  2090 weight  0.10000E+01 volume -0.12200E+00 ppm1      1.929 ppm2      1.257
 OR { 2090}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HG22")
 OR { 2090}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HG23")
 ASSI { 2101}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "8   " and name "HG  ")
      5.000     5.000     0.000 peak  2101 weight  0.10000E+01 volume -0.17890E+01 ppm1      1.020 ppm2      1.836
 OR { 2101}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "8   " and name "HG  ")
 OR { 2101}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "8   " and name "HG  ")
 ASSI { 2111}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "36  " and name "HD12")
      5.000     5.000     0.000 peak  2111 weight  0.10000E+01 volume -0.46300E+00 ppm1      1.020 ppm2      0.782
 OR { 2111}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2111}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2111}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2111}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2111}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2111}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2111}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2111}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "36  " and name "HD13")
 ASSI { 2115}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak  2115 weight  0.10000E+01 volume -0.16600E+00 ppm1      1.020 ppm2      4.392
 OR { 2115}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2115}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 2118}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "8   " and name "HG  ")
      5.000     5.000     0.000 peak  2118 weight  0.10000E+01 volume -0.16480E+01 ppm1      0.967 ppm2      1.836
 OR { 2118}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "8   " and name "HG  ")
 OR { 2118}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "8   " and name "HG  ")
 ASSI { 4735}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "69  " and name "HB1 ")
      5.000     5.000     0.000 peak  4735 weight  0.10000E+01 volume -0.18740E+01 ppm1      0.963 ppm2      1.818
 OR { 4735}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 4735}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 2121}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "70  " and name "HA  ")
      5.000     5.000     0.000 peak  2121 weight  0.10000E+01 volume -0.64100E+00 ppm1      0.967 ppm2      4.392
 OR { 2121}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2121}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 2098}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "8   " and name "HB1 ")
      3.300     3.300     0.000 peak  2098 weight  0.10000E+01 volume -0.21400E+01 ppm1      1.836 ppm2      1.705
 ASSI { 2120}
     (segid "    " and resid "9   " and name "HA  ")
     (segid "    " and resid "9   " and name "HB  ")
      3.300     3.300     0.000 peak  2120 weight  0.10000E+01 volume -0.35290E+01 ppm1      4.432 ppm2      4.577
 ASSI { 2124}
     (segid "    " and resid "9   " and name "HA  ")
     (segid "    " and resid "9   " and name "HG22")
      3.300     3.300     0.000 peak  2124 weight  0.10000E+01 volume -0.28410E+01 ppm1      4.419 ppm2      1.257
 OR { 2124}
     (segid "    " and resid "9   " and name "HA  ")
     (segid "    " and resid "9   " and name "HG23")
 OR { 2124}
     (segid "    " and resid "9   " and name "HA  ")
     (segid "    " and resid "9   " and name "HG21")
 ASSI { 2136}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "8   " and name "HB1 ")
      6.000     6.000     0.000 peak  2136 weight  0.10000E+01 volume -0.28400E+00 ppm1      1.270 ppm2      1.705
 OR { 2136}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "8   " and name "HB1 ")
 OR { 2136}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 2139}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "8   " and name "HG  ")
      6.000     6.000     0.000 peak  2139 weight  0.10000E+01 volume -0.16500E+00 ppm1      1.270 ppm2      1.836
 OR { 2139}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "8   " and name "HG  ")
 OR { 2139}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "8   " and name "HG  ")
 ASSI { 2131}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "9   " and name "HB  ")
      3.300     3.300     0.000 peak  2131 weight  0.10000E+01 volume -0.31710E+01 ppm1      1.270 ppm2      4.577
 OR { 2131}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "9   " and name "HB  ")
 OR { 2131}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "9   " and name "HB  ")
 ASSI { 4749}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "6   " and name "HD2 ")
      6.000     6.000     0.000 peak  4749 weight  0.10000E+01 volume -0.11600E+00 ppm1      3.605 ppm2      1.527
 OR { 4749}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "6   " and name "HD1 ")
 ASSI { 2178}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  2178 weight  0.10000E+01 volume -0.96500E+00 ppm1      1.652 ppm2      1.283
 OR { 2178}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HG2 ")
 ASSI { 2169}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HB1 ")
      5.000     5.000     0.000 peak  2169 weight  0.10000E+01 volume -0.39000E+00 ppm1      1.270 ppm2      1.810
 ASSI { 2192}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "6   " and name "HB2 ")
      6.000     6.000     0.000 peak  2192 weight  0.10000E+01 volume -0.20900E+00 ppm1      5.302 ppm2      1.309
 ASSI { 2187}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "6   " and name "HG2 ")
      5.000     5.000     0.000 peak  2187 weight  0.10000E+01 volume -0.31400E+00 ppm1      5.302 ppm2      1.178
 ASSI { 2186}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "12  " and name "HB  ")
      5.000     5.000     0.000 peak  2186 weight  0.10000E+01 volume -0.88700E+00 ppm1      5.315 ppm2      3.918
 ASSI { 2198}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HD2 ")
      5.000     5.000     0.000 peak  2198 weight  0.10000E+01 volume -0.65000E+00 ppm1      1.059 ppm2      7.054
 OR { 2198}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2198}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2198}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2198}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2198}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 2210}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HE2 ")
      6.000     6.000     0.000 peak  2210 weight  0.10000E+01 volume -0.11300E+00 ppm1      1.046 ppm2      7.265
 OR { 2210}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2210}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2210}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2210}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2210}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HE1 ")
 ASSI { 2213}
     (segid "    " and resid "13  " and name "HB  ")
     (segid "    " and resid "5   " and name "HB2 ")
      5.000     5.000     0.000 peak  2213 weight  0.10000E+01 volume -0.32800E+00 ppm1      2.153 ppm2      1.125
 ASSI { 2212}
     (segid "    " and resid "13  " and name "HB  ")
     (segid "    " and resid "13  " and name "HA  ")
      5.000     5.000     0.000 peak  2212 weight  0.10000E+01 volume -0.99200E+00 ppm1      2.153 ppm2      4.656
 ASSI { 2239}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "13  " and name "HA  ")
      5.000     5.000     0.000 peak  2239 weight  0.10000E+01 volume -0.91900E+00 ppm1      0.888 ppm2      4.656
 OR { 2239}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "13  " and name "HA  ")
 OR { 2239}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "13  " and name "HA  ")
 ASSI { 2243}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "34  " and name "HG1 ")
      5.000     5.000     0.000 peak  2243 weight  0.10000E+01 volume -0.50200E+00 ppm1      0.888 ppm2      1.995
 OR { 2243}
     (segid "    " and resid "13  " and name "HG23")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 2243}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 2243}
     (segid "    " and resid "13  " and name "HG21")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2243}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2243}
     (segid "    " and resid "13  " and name "HG22")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 4838}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG23")
      6.000     6.000     0.000 peak  4838 weight  0.10000E+01 volume -0.10400E+00 ppm1      5.106 ppm2      0.600
 OR { 4838}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG21")
 OR { 4838}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG22")
 ASSI { 2225}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD1 ")
      5.000     5.000     0.000 peak  2225 weight  0.10000E+01 volume -0.60900E+00 ppm1      5.117 ppm2      7.054
 OR { 2225}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 2222}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HB  ")
      5.000     5.000     0.000 peak  2222 weight  0.10000E+01 volume -0.14920E+01 ppm1      5.117 ppm2      4.024
 ASSI { 2220}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG21")
      3.300     3.300     0.000 peak  2220 weight  0.10000E+01 volume -0.21660E+01 ppm1      5.117 ppm2      1.099
 OR { 2220}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 2220}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG22")
 ASSI { 2236}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  2236 weight  0.10000E+01 volume -0.85000E-01 ppm1      5.104 ppm2      4.419
 ASSI { 2228}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HB  ")
      6.000     6.000     0.000 peak  2228 weight  0.10000E+01 volume -0.15000E+00 ppm1      5.117 ppm2      1.705
 ASSI { 2223}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG23")
      3.300     3.300     0.000 peak  2223 weight  0.10000E+01 volume -0.24670E+01 ppm1      4.024 ppm2      1.099
 OR { 2223}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 2223}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 2266}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HD2 ")
      5.000     5.000     0.000 peak  2266 weight  0.10000E+01 volume -0.45300E+00 ppm1      1.112 ppm2      7.054
 OR { 2266}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2266}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2266}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2266}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2266}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 2264}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HE1 ")
      5.000     5.000     0.000 peak  2264 weight  0.10000E+01 volume -0.53300E+00 ppm1      1.112 ppm2      7.265
 OR { 2264}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2264}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2264}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2264}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2264}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HE2 ")
 ASSI { 2285}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG23")
      6.000     6.000     0.000 peak  2285 weight  0.10000E+01 volume -0.19500E+00 ppm1      4.419 ppm2      1.099
 OR { 2285}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 2285}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 2271}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HB  ")
      5.000     5.000     0.000 peak  2271 weight  0.10000E+01 volume -0.11660E+01 ppm1      4.419 ppm2      1.705
 ASSI { 2260}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG23")
      3.300     3.300     0.000 peak  2260 weight  0.10000E+01 volume -0.21730E+01 ppm1      4.419 ppm2      0.941
 OR { 2260}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2260}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 2292}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HG13")
      5.000     5.000     0.000 peak  2292 weight  0.10000E+01 volume -0.87200E+00 ppm1      1.705 ppm2      0.651
 OR { 2292}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2292}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HG12")
 ASSI { 2296}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "26  " and name "HE1 ")
      5.000     5.000     0.000 peak  2296 weight  0.10000E+01 volume -0.39700E+00 ppm1      1.705 ppm2      6.896
 OR { 2296}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "26  " and name "HE2 ")
 ASSI { 2340}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "5   " and name "HB1 ")
      5.000     5.000     0.000 peak  2340 weight  0.10000E+01 volume -0.12010E+01 ppm1      0.664 ppm2      1.889
 OR { 2340}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 2340}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "5   " and name "HB1 ")
 ASSI { 2336}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "15  " and name "HA  ")
      5.000     5.000     0.000 peak  2336 weight  0.10000E+01 volume -0.11870E+01 ppm1      0.664 ppm2      4.419
 OR { 2336}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2336}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "15  " and name "HA  ")
 ASSI { 2326}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "15  " and name "HG22")
      3.300     3.300     0.000 peak  2326 weight  0.10000E+01 volume -0.32640E+01 ppm1      0.664 ppm2      0.941
 OR { 2326}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2326}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2326}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2326}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2326}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2326}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2326}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2326}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "15  " and name "HG23")
 ASSI { 2349}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "26  " and name "HD1 ")
      6.000     6.000     0.000 peak  2349 weight  0.10000E+01 volume -0.79000E-01 ppm1      0.664 ppm2      7.080
 OR { 2349}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 2349}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 2349}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 2349}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 2349}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 2344}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "26  " and name "HE1 ")
      5.000     5.000     0.000 peak  2344 weight  0.10000E+01 volume -0.30900E+00 ppm1      0.664 ppm2      6.896
 OR { 2344}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2344}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2344}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2344}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2344}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "26  " and name "HE2 ")
 ASSI { 2339}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  2339 weight  0.10000E+01 volume -0.90000E+00 ppm1      0.664 ppm2      3.312
 OR { 2339}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 2339}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 2341}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "30  " and name "HD13")
      5.000     5.000     0.000 peak  2341 weight  0.10000E+01 volume -0.36900E+00 ppm1      0.664 ppm2      0.045
 OR { 2341}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2341}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2341}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2341}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2341}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2341}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "30  " and name "HD13")
 OR { 2341}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "30  " and name "HD13")
 OR { 2341}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 2343}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "30  " and name "HG12")
      5.000     5.000     0.000 peak  2343 weight  0.10000E+01 volume -0.57100E+00 ppm1      0.664 ppm2      0.334
 OR { 2343}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "30  " and name "HG12")
 OR { 2343}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 2335}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "33  " and name "HD1 ")
      5.000     5.000     0.000 peak  2335 weight  0.10000E+01 volume -0.14820E+01 ppm1      0.664 ppm2      1.705
 OR { 2335}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "33  " and name "HD1 ")
 OR { 2335}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "33  " and name "HD2 ")
 OR { 2335}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "33  " and name "HD1 ")
 OR { 2335}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "33  " and name "HD2 ")
 OR { 2335}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "33  " and name "HD2 ")
 ASSI { 2314}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "15  " and name "HB  ")
      3.300     3.300     0.000 peak  2314 weight  0.10000E+01 volume -0.27390E+01 ppm1      0.941 ppm2      1.705
 OR { 2314}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 2314}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 2325}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "17  " and name "HB  ")
      6.000     6.000     0.000 peak  2325 weight  0.10000E+01 volume -0.26800E+00 ppm1      0.941 ppm2      2.100
 OR { 2325}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HB  ")
 OR { 2325}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HB  ")
 ASSI { 2319}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "26  " and name "HE1 ")
      5.000     5.000     0.000 peak  2319 weight  0.10000E+01 volume -0.69500E+00 ppm1      0.941 ppm2      6.896
 OR { 2319}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2319}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2319}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2319}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2319}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "26  " and name "HE2 ")
 ASSI { 2329}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HA  ")
      6.000     6.000     0.000 peak  2329 weight  0.10000E+01 volume -0.11700E+00 ppm1      0.941 ppm2      4.182
 OR { 2329}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HA  ")
 OR { 2329}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "29  " and name "HA  ")
 ASSI { 2316}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HB1 ")
      5.000     5.000     0.000 peak  2316 weight  0.10000E+01 volume -0.16300E+01 ppm1      0.941 ppm2      1.863
 OR { 2316}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 2316}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 2320}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  2320 weight  0.10000E+01 volume -0.63800E+00 ppm1      0.941 ppm2      2.205
 OR { 2320}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 2320}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 2330}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "30  " and name "HD13")
      6.000     6.000     0.000 peak  2330 weight  0.10000E+01 volume -0.56000E-01 ppm1      0.941 ppm2      0.045
 OR { 2330}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2330}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2330}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2330}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2330}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2330}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "30  " and name "HD13")
 OR { 2330}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "30  " and name "HD13")
 OR { 2330}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 3377}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG23")
      6.000     6.000     0.000 peak  3377 weight  0.10000E+01 volume -0.80000E-01 ppm1      4.919 ppm2      0.941
 OR { 3377}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 3377}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 2360}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB  ")
      5.000     5.000     0.000 peak  2360 weight  0.10000E+01 volume -0.11750E+01 ppm1      4.603 ppm2      2.100
 ASSI { 2374}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HG13")
      5.000     5.000     0.000 peak  2374 weight  0.10000E+01 volume -0.92700E+00 ppm1      4.603 ppm2      0.651
 OR { 2374}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2374}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HG12")
 ASSI { 2375}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HG22")
      5.000     5.000     0.000 peak  2375 weight  0.10000E+01 volume -0.44200E+00 ppm1      4.603 ppm2      0.387
 OR { 2375}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 2375}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HG23")
 ASSI { 4920}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD12")
      5.000     5.000     0.000 peak  4920 weight  0.10000E+01 volume -0.53600E+00 ppm1      4.606 ppm2      0.404
 OR { 4920}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 4920}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 2376}
     (segid "    " and resid "17  " and name "HB  ")
     (segid "    " and resid "17  " and name "HG21")
      3.300     3.300     0.000 peak  2376 weight  0.10000E+01 volume -0.23370E+01 ppm1      2.113 ppm2      0.387
 OR { 2376}
     (segid "    " and resid "17  " and name "HB  ")
     (segid "    " and resid "17  " and name "HG22")
 OR { 2376}
     (segid "    " and resid "17  " and name "HB  ")
     (segid "    " and resid "17  " and name "HG23")
 ASSI { 2379}
     (segid "    " and resid "17  " and name "HB  ")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  2379 weight  0.10000E+01 volume -0.18600E+00 ppm1      2.113 ppm2      2.917
 ASSI { 2390}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "1   " and name "HE1 ")
      6.000     6.000     0.000 peak  2390 weight  0.10000E+01 volume -0.24700E+00 ppm1      0.651 ppm2      1.520
 OR { 2390}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2390}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2390}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2390}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 2390}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 2390}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 2390}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 2390}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 2392}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  2392 weight  0.10000E+01 volume -0.90000E-01 ppm1      0.638 ppm2      2.917
 OR { 2392}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2392}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 4935}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "26  " and name "HB2 ")
      6.000     6.000     0.000 peak  4935 weight  0.10000E+01 volume -0.27100E+00 ppm1      0.641 ppm2      3.192
 OR { 4935}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 4935}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 2387}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "26  " and name "HE1 ")
      5.000     5.000     0.000 peak  2387 weight  0.10000E+01 volume -0.55200E+00 ppm1      0.651 ppm2      6.896
 OR { 2387}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2387}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2387}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2387}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2387}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "26  " and name "HE2 ")
 ASSI { 2398}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  2398 weight  0.10000E+01 volume -0.13740E+01 ppm1      0.387 ppm2      1.520
 OR { 2398}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 2398}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2398}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 2398}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 2398}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2398}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2398}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 2398}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 2396}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "17  " and name "HG13")
      3.300     3.300     0.000 peak  2396 weight  0.10000E+01 volume -0.31670E+01 ppm1      0.387 ppm2      0.651
 OR { 2396}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2396}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2396}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2396}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "17  " and name "HG12")
 OR { 2396}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2396}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "17  " and name "HG11")
 OR { 2396}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "17  " and name "HG13")
 OR { 2396}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "17  " and name "HG13")
 ASSI { 2409}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  2409 weight  0.10000E+01 volume -0.10800E+00 ppm1      0.387 ppm2      5.025
 OR { 2409}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 2409}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "18  " and name "HA  ")
 ASSI { 2414}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "19  " and name "HA  ")
      6.000     6.000     0.000 peak  2414 weight  0.10000E+01 volume -0.83000E-01 ppm1      0.387 ppm2      3.997
 OR { 2414}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 2414}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 2405}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "26  " and name "HB2 ")
      6.000     6.000     0.000 peak  2405 weight  0.10000E+01 volume -0.11700E+00 ppm1      0.374 ppm2      3.180
 OR { 2405}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 2405}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 2408}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "26  " and name "HD1 ")
      6.000     6.000     0.000 peak  2408 weight  0.10000E+01 volume -0.13600E+00 ppm1      0.387 ppm2      7.080
 OR { 2408}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 2408}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 2408}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 2408}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 2408}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 4948}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "26  " and name "HE1 ")
      6.000     6.000     0.000 peak  4948 weight  0.10000E+01 volume -0.65000E-01 ppm1      0.383 ppm2      6.890
 OR { 4948}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 4948}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 4948}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 4948}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 4948}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "26  " and name "HE2 ")
 ASSI { 2417}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "18  " and name "HB1 ")
      5.000     5.000     0.000 peak  2417 weight  0.10000E+01 volume -0.13140E+01 ppm1      5.012 ppm2      2.100
 ASSI { 2418}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "18  " and name "HB2 ")
      5.000     5.000     0.000 peak  2418 weight  0.10000E+01 volume -0.82700E+00 ppm1      5.012 ppm2      1.652
 ASSI { 2420}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "18  " and name "HG1 ")
      5.000     5.000     0.000 peak  2420 weight  0.10000E+01 volume -0.49700E+00 ppm1      5.012 ppm2      2.337
 ASSI { 2416}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2416 weight  0.10000E+01 volume -0.19560E+01 ppm1      5.012 ppm2      4.024
 ASSI { 2415}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "19  " and name "HD2 ")
      3.300     3.300     0.000 peak  2415 weight  0.10000E+01 volume -0.26890E+01 ppm1      5.012 ppm2      3.734
 ASSI { 4974}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "19  " and name "HG2 ")
      5.000     5.000     0.000 peak  4974 weight  0.10000E+01 volume -0.58700E+00 ppm1      5.017 ppm2      2.016
 ASSI { 2425}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HG1 ")
      5.000     5.000     0.000 peak  2425 weight  0.10000E+01 volume -0.13710E+01 ppm1      2.100 ppm2      2.337
 ASSI { 2428}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2428 weight  0.10000E+01 volume -0.55000E+00 ppm1      2.100 ppm2      4.024
 ASSI { 2434}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2434 weight  0.10000E+01 volume -0.45000E+00 ppm1      1.652 ppm2      4.024
 ASSI { 2438}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HD2 ")
      6.000     6.000     0.000 peak  2438 weight  0.10000E+01 volume -0.16200E+00 ppm1      1.665 ppm2      3.734
 ASSI { 2445}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB1 ")
      3.300     3.300     0.000 peak  2445 weight  0.10000E+01 volume -0.21540E+01 ppm1      3.997 ppm2      2.337
 ASSI { 2446}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  2446 weight  0.10000E+01 volume -0.18260E+01 ppm1      3.997 ppm2      2.021
 ASSI { 4998}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "19  " and name "HG2 ")
      5.000     5.000     0.000 peak  4998 weight  0.10000E+01 volume -0.19820E+01 ppm1      3.994 ppm2      2.012
 ASSI { 2449}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  2449 weight  0.10000E+01 volume -0.64900E+00 ppm1      3.997 ppm2      1.046
 ASSI { 2447}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  2447 weight  0.10000E+01 volume -0.12870E+01 ppm1      3.997 ppm2      1.863
 ASSI { 2454}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "57  " and name "HA  ")
      6.000     6.000     0.000 peak  2454 weight  0.10000E+01 volume -0.10600E+00 ppm1      3.984 ppm2      4.287
 ASSI { 5006}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  5006 weight  0.10000E+01 volume -0.18500E+01 ppm1      2.335 ppm2      4.015
 ASSI { 2462}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HA  ")
      6.000     6.000     0.000 peak  2462 weight  0.10000E+01 volume -0.15800E+00 ppm1      2.337 ppm2      4.287
 ASSI { 2492}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG21")
      6.000     6.000     0.000 peak  2492 weight  0.10000E+01 volume -0.83000E-01 ppm1      3.734 ppm2      0.387
 OR { 2492}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG23")
 OR { 2492}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HG22")
 ASSI { 2485}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "18  " and name "HG1 ")
      5.000     5.000     0.000 peak  2485 weight  0.10000E+01 volume -0.38700E+00 ppm1      4.024 ppm2      2.337
 ASSI { 2444}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HD1 ")
      2.700     2.700     0.000 peak  2444 weight  0.10000E+01 volume -0.40400E+01 ppm1      3.734 ppm2      4.024
 ASSI { 2483}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HG2 ")
      5.000     5.000     0.000 peak  2483 weight  0.10000E+01 volume -0.12150E+01 ppm1      4.024 ppm2      2.021
 ASSI { 2478}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE2 ")
      5.000     5.000     0.000 peak  2478 weight  0.10000E+01 volume -0.32300E+00 ppm1      2.008 ppm2      1.520
 OR { 2478}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2478}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 2494}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HB1 ")
      2.700     2.700     0.000 peak  2494 weight  0.10000E+01 volume -0.68520E+01 ppm1      4.142 ppm2      3.786
 ASSI { 5079}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HG22")
      5.000     5.000     0.000 peak  5079 weight  0.10000E+01 volume -0.35300E+00 ppm1      2.588 ppm2      0.377
 OR { 5079}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HG23")
 OR { 5079}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HG21")
 ASSI { 5074}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG23")
      5.000     5.000     0.000 peak  5074 weight  0.10000E+01 volume -0.57400E+00 ppm1      2.914 ppm2      0.375
 OR { 5074}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG21")
 OR { 5074}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG22")
 ASSI { 2518}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HA  ")
      5.000     5.000     0.000 peak  2518 weight  0.10000E+01 volume -0.85400E+00 ppm1      2.601 ppm2      4.682
 ASSI { 2511}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HA  ")
      5.000     5.000     0.000 peak  2511 weight  0.10000E+01 volume -0.52300E+00 ppm1      2.917 ppm2      4.682
 ASSI { 2512}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
      5.000     5.000     0.000 peak  2512 weight  0.10000E+01 volume -0.57200E+00 ppm1      2.917 ppm2      0.414
 OR { 2512}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2512}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD13")
 ASSI { 2521}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "22  " and name "HB  ")
      2.700     2.700     0.000 peak  2521 weight  0.10000E+01 volume -0.41710E+01 ppm1      1.336 ppm2      4.814
 OR { 2521}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2521}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 2528}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "25  " and name "HB1 ")
      6.000     6.000     0.000 peak  2528 weight  0.10000E+01 volume -0.90000E-01 ppm1      1.336 ppm2      3.075
 OR { 2528}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 2528}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 2526}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "25  " and name "HB2 ")
      6.000     6.000     0.000 peak  2526 weight  0.10000E+01 volume -0.81000E-01 ppm1      1.336 ppm2      2.943
 OR { 2526}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 2526}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 2524}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "55  " and name "HA  ")
      5.000     5.000     0.000 peak  2524 weight  0.10000E+01 volume -0.60200E+00 ppm1      1.336 ppm2      5.236
 OR { 2524}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 2524}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "55  " and name "HA  ")
 ASSI { 2531}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG13")
      5.000     5.000     0.000 peak  2531 weight  0.10000E+01 volume -0.16390E+01 ppm1      3.576 ppm2      0.835
 OR { 2531}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 2531}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 2525}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
      3.300     3.300     0.000 peak  2525 weight  0.10000E+01 volume -0.21160E+01 ppm1      3.576 ppm2      1.046
 OR { 2525}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 2525}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
 ASSI { 2539}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  2539 weight  0.10000E+01 volume -0.92000E-01 ppm1      3.562 ppm2      4.551
 ASSI { 5096}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD11")
      5.000     5.000     0.000 peak  5096 weight  0.10000E+01 volume -0.14270E+01 ppm1      3.573 ppm2      0.790
 OR { 5096}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5096}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD12")
 ASSI { 2535}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD13")
      6.000     6.000     0.000 peak  2535 weight  0.10000E+01 volume -0.21800E+00 ppm1      3.576 ppm2      0.414
 OR { 2535}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2535}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 2533}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD23")
      5.000     5.000     0.000 peak  2533 weight  0.10000E+01 volume -0.72900E+00 ppm1      3.576 ppm2      0.308
 OR { 2533}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2533}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 2583}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HE1 ")
      5.000     5.000     0.000 peak  2583 weight  0.10000E+01 volume -0.46600E+00 ppm1      0.848 ppm2      2.759
 OR { 2583}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 2583}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HE1 ")
 ASSI { 2576}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HE2 ")
      5.000     5.000     0.000 peak  2576 weight  0.10000E+01 volume -0.11470E+01 ppm1      0.848 ppm2      2.601
 OR { 2576}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HE2 ")
 OR { 2576}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 2589}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  2589 weight  0.10000E+01 volume -0.14300E+00 ppm1      0.848 ppm2      3.839
 OR { 2589}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 2589}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 2575}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HB1 ")
      5.000     5.000     0.000 peak  2575 weight  0.10000E+01 volume -0.69700E+00 ppm1      0.848 ppm2      1.230
 OR { 2575}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 2575}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 2579}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     5.000     0.000 peak  2579 weight  0.10000E+01 volume -0.10080E+01 ppm1      0.848 ppm2      1.547
 OR { 2579}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HB2 ")
 OR { 2579}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 2592}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  2592 weight  0.10000E+01 volume -0.12400E+00 ppm1      0.861 ppm2      6.869
 OR { 2592}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 2592}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 2592}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 2592}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 2592}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 2565}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "55  " and name "HA  ")
      6.000     6.000     0.000 peak  2565 weight  0.10000E+01 volume -0.17300E+00 ppm1      1.059 ppm2      5.236
 OR { 2565}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 2565}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "55  " and name "HA  ")
 ASSI { 2548}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "56  " and name "HD23")
      5.000     5.000     0.000 peak  2548 weight  0.10000E+01 volume -0.99500E+00 ppm1      1.059 ppm2      0.308
 OR { 2548}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2548}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2548}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2548}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2548}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2548}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2548}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2548}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 2564}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "61  " and name "HD11")
      6.000     6.000     0.000 peak  2564 weight  0.10000E+01 volume -0.26700E+00 ppm1      1.059 ppm2      0.387
 OR { 2564}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2564}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2564}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2564}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2564}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2564}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2564}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2564}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 2595}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG13")
      5.000     5.000     0.000 peak  2595 weight  0.10000E+01 volume -0.31100E+00 ppm1      3.958 ppm2      0.835
 OR { 2595}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 2595}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG11")
 ASSI { 2578}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "24  " and name "HB2 ")
      3.300     3.300     0.000 peak  2578 weight  0.10000E+01 volume -0.26290E+01 ppm1      3.944 ppm2      2.021
 ASSI { 2593}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "24  " and name "HG1 ")
      5.000     5.000     0.000 peak  2593 weight  0.10000E+01 volume -0.65500E+00 ppm1      3.944 ppm2      2.495
 ASSI { 2585}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "24  " and name "HG2 ")
      5.000     5.000     0.000 peak  2585 weight  0.10000E+01 volume -0.10170E+01 ppm1      3.944 ppm2      2.363
 ASSI { 2596}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  2596 weight  0.10000E+01 volume -0.35300E+00 ppm1      3.944 ppm2      1.441
 ASSI { 2588}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD1 ")
      5.000     5.000     0.000 peak  2588 weight  0.10000E+01 volume -0.10510E+01 ppm1      3.944 ppm2      1.652
 OR { 2588}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 2598}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HE2 ")
      6.000     6.000     0.000 peak  2598 weight  0.10000E+01 volume -0.16400E+00 ppm1      3.944 ppm2      2.627
 ASSI { 5137}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HG1 ")
      5.000     5.000     0.000 peak  5137 weight  0.10000E+01 volume -0.11850E+01 ppm1      3.947 ppm2      1.615
 ASSI {  344}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak   344 weight  0.10000E+01 volume -0.11260E+01 ppm1      2.087 ppm2      3.944
 ASSI { 2602}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HG1 ")
      5.000     5.000     0.000 peak  2602 weight  0.10000E+01 volume -0.11900E+01 ppm1      2.087 ppm2      2.522
 ASSI { 2604}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HG1 ")
      5.000     5.000     0.000 peak  2604 weight  0.10000E+01 volume -0.10310E+01 ppm1      2.021 ppm2      2.522
 ASSI { 5140}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HG2 ")
      5.000     5.000     0.000 peak  5140 weight  0.10000E+01 volume -0.18550E+01 ppm1      2.082 ppm2      2.367
 ASSI { 5145}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HG2 ")
      5.000     5.000     0.000 peak  5145 weight  0.10000E+01 volume -0.18460E+01 ppm1      2.025 ppm2      2.368
 ASSI { 2609}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HB1 ")
      6.000     6.000     0.000 peak  2609 weight  0.10000E+01 volume -0.13000E+00 ppm1      2.021 ppm2      2.653
 ASSI { 2618}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB1 ")
      5.000     5.000     0.000 peak  2618 weight  0.10000E+01 volume -0.11950E+01 ppm1      4.551 ppm2      3.075
 ASSI { 2619}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB2 ")
      5.000     5.000     0.000 peak  2619 weight  0.10000E+01 volume -0.11240E+01 ppm1      4.551 ppm2      2.943
 ASSI { 2617}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB2 ")
      5.000     5.000     0.000 peak  2617 weight  0.10000E+01 volume -0.12690E+01 ppm1      4.551 ppm2      1.626
 OR { 2617}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 2617}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB3 ")
 ASSI { 2624}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB1 ")
      2.700     2.700     0.000 peak  2624 weight  0.10000E+01 volume -0.57590E+01 ppm1      2.930 ppm2      3.075
 ASSI { 2629}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  2629 weight  0.10000E+01 volume -0.65600E+00 ppm1      4.551 ppm2      3.576
 ASSI { 2628}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HB2 ")
      5.000     5.000     0.000 peak  2628 weight  0.10000E+01 volume -0.92900E+00 ppm1      4.551 ppm2      3.180
 ASSI { 2639}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HA  ")
      3.300     3.300     0.000 peak  2639 weight  0.10000E+01 volume -0.38910E+01 ppm1      3.194 ppm2      3.576
 ASSI { 5173}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HB1 ")
      3.300     3.300     0.000 peak  5173 weight  0.10000E+01 volume -0.36580E+01 ppm1      3.187 ppm2      3.561
 ASSI { 2636}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD2 ")
      5.000     5.000     0.000 peak  2636 weight  0.10000E+01 volume -0.38100E+00 ppm1      3.576 ppm2      7.080
 OR { 2636}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD1 ")
 ASSI { 2643}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD1 ")
      5.000     5.000     0.000 peak  2643 weight  0.10000E+01 volume -0.37500E+00 ppm1      3.194 ppm2      7.080
 OR { 2643}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 2638}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD11")
      6.000     6.000     0.000 peak  2638 weight  0.10000E+01 volume -0.19700E+00 ppm1      3.576 ppm2      0.414
 OR { 2638}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2638}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 2641}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD11")
      5.000     5.000     0.000 peak  2641 weight  0.10000E+01 volume -0.41900E+00 ppm1      3.194 ppm2      0.414
 OR { 2641}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2641}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 2642}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD22")
      5.000     5.000     0.000 peak  2642 weight  0.10000E+01 volume -0.38000E+00 ppm1      3.194 ppm2      0.308
 OR { 2642}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2642}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD21")
 ASSI { 2665}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HB  ")
      6.000     6.000     0.000 peak  2665 weight  0.10000E+01 volume -0.22600E+00 ppm1      7.067 ppm2      1.705
 OR { 2665}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 2661}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG23")
      5.000     5.000     0.000 peak  2661 weight  0.10000E+01 volume -0.48300E+00 ppm1      7.067 ppm2      0.941
 OR { 2661}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2661}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2661}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2661}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2661}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG23")
 ASSI { 2658}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak  2658 weight  0.10000E+01 volume -0.67400E+00 ppm1      7.067 ppm2      3.576
 OR { 2658}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 2664}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD13")
      6.000     6.000     0.000 peak  2664 weight  0.10000E+01 volume -0.14200E+00 ppm1      7.067 ppm2      0.045
 OR { 2664}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2664}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2664}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2664}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2664}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 2659}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD11")
      5.000     5.000     0.000 peak  2659 weight  0.10000E+01 volume -0.63200E+00 ppm1      7.067 ppm2      0.782
 OR { 2659}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2659}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2659}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2659}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2659}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 2662}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD22")
      5.000     5.000     0.000 peak  2662 weight  0.10000E+01 volume -0.32200E+00 ppm1      7.067 ppm2      0.308
 OR { 2662}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2662}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2662}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2662}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2662}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD21")
 ASSI { 2670}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD11")
      5.000     5.000     0.000 peak  2670 weight  0.10000E+01 volume -0.58400E+00 ppm1      6.883 ppm2      0.782
 OR { 2670}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2670}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2670}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2670}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 2670}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 2669}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD11")
      5.000     5.000     0.000 peak  2669 weight  0.10000E+01 volume -0.70900E+00 ppm1      6.883 ppm2      0.572
 OR { 2669}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 2669}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 2669}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD11")
 OR { 2669}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 2669}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 2683}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  2683 weight  0.10000E+01 volume -0.63000E-01 ppm1      6.896 ppm2      0.150
 OR { 2683}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 2683}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 2683}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 2683}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 2683}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD22")
 ASSI { 2674}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD11")
      6.000     6.000     0.000 peak  2674 weight  0.10000E+01 volume -0.23000E+00 ppm1      6.883 ppm2      0.387
 OR { 2674}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2674}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2674}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2674}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2674}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD11")
 ASSI { 5222}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HD12")
      5.000     5.000     0.000 peak  5222 weight  0.10000E+01 volume -0.91200E+00 ppm1      6.891 ppm2      0.687
 OR { 5222}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 5222}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 5222}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 5222}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 5222}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD13")
 ASSI { 5216}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG23")
      5.000     5.000     0.000 peak  5216 weight  0.10000E+01 volume -0.74900E+00 ppm1      6.891 ppm2      0.968
 OR { 5216}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5216}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5216}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5216}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5216}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 2652}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "5   " and name "HB2 ")
      6.000     6.000     0.000 peak  2652 weight  0.10000E+01 volume -0.15600E+00 ppm1      6.813 ppm2      1.119
 ASSI { 2649}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "26  " and name "HD1 ")
      5.000     5.000     0.000 peak  2649 weight  0.10000E+01 volume -0.40500E+00 ppm1      6.817 ppm2      7.080
 OR { 2649}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 5178}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "26  " and name "HE2 ")
      2.700     2.700     0.000 peak  5178 weight  0.10000E+01 volume -0.50830E+01 ppm1      6.813 ppm2      6.891
 OR { 5178}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "26  " and name "HE1 ")
 ASSI { 2647}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HD11")
      5.000     5.000     0.000 peak  2647 weight  0.10000E+01 volume -0.80300E+00 ppm1      6.817 ppm2      0.703
 OR { 2647}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 2647}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HD12")
 ASSI { 5181}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  5181 weight  0.10000E+01 volume -0.23600E+00 ppm1      6.813 ppm2      1.170
 ASSI { 2650}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HG23")
      5.000     5.000     0.000 peak  2650 weight  0.10000E+01 volume -0.32000E+00 ppm1      6.817 ppm2      0.967
 OR { 2650}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 2650}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 2277}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  2277 weight  0.10000E+01 volume -0.12700E+01 ppm1      4.379 ppm2      1.415
 ASSI { 2275}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "27  " and name "HG1 ")
      5.000     5.000     0.000 peak  2275 weight  0.10000E+01 volume -0.16140E+01 ppm1      4.379 ppm2      1.626
 ASSI { 2261}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB  ")
      3.300     3.300     0.000 peak  2261 weight  0.10000E+01 volume -0.24350E+01 ppm1      4.379 ppm2      1.995
 ASSI { 2270}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD11")
      5.000     5.000     0.000 peak  2270 weight  0.10000E+01 volume -0.14190E+01 ppm1      4.379 ppm2      0.045
 OR { 2270}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2270}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 2282}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG11")
      5.000     5.000     0.000 peak  2282 weight  0.10000E+01 volume -0.47400E+00 ppm1      4.379 ppm2      1.309
 ASSI { 2280}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG21")
      5.000     5.000     0.000 peak  2280 weight  0.10000E+01 volume -0.43300E+00 ppm1      4.379 ppm2      0.519
 OR { 2280}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 2280}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG23")
 ASSI { 2281}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD13")
      5.000     5.000     0.000 peak  2281 weight  0.10000E+01 volume -0.56700E+00 ppm1      4.379 ppm2      0.782
 OR { 2281}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2281}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD12")
 ASSI { 2684}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  2684 weight  0.10000E+01 volume -0.38900E+00 ppm1      2.008 ppm2      4.366
 ASSI { 2689}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  2689 weight  0.10000E+01 volume -0.36100E+00 ppm1      1.428 ppm2      4.050
 ASSI { 2691}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD13")
      6.000     6.000     0.000 peak  2691 weight  0.10000E+01 volume -0.13800E+00 ppm1      1.415 ppm2      0.809
 OR { 2691}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2691}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD12")
 ASSI { 2728}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HE1 ")
      5.000     5.000     0.000 peak  2728 weight  0.10000E+01 volume -0.57600E+00 ppm1      1.639 ppm2      2.759
 OR { 2728}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HE1 ")
 ASSI { 2727}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HE2 ")
      5.000     5.000     0.000 peak  2727 weight  0.10000E+01 volume -0.57100E+00 ppm1      1.639 ppm2      2.601
 OR { 2727}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 2722}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "27  " and name "HB1 ")
      6.000     6.000     0.000 peak  2722 weight  0.10000E+01 volume -0.19600E+00 ppm1      2.614 ppm2      1.415
 ASSI { 2721}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "27  " and name "HB2 ")
      6.000     6.000     0.000 peak  2721 weight  0.10000E+01 volume -0.12800E+00 ppm1      2.614 ppm2      2.021
 ASSI { 5261}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HG1 ")
      5.000     5.000     0.000 peak  5261 weight  0.10000E+01 volume -0.13490E+01 ppm1      2.751 ppm2      1.614
 ASSI { 2772}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "27  " and name "HG1 ")
      5.000     5.000     0.000 peak  2772 weight  0.10000E+01 volume -0.12480E+01 ppm1      2.608 ppm2      1.613
 ASSI { 2725}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "41  " and name "HB2 ")
      6.000     6.000     0.000 peak  2725 weight  0.10000E+01 volume -0.12800E+00 ppm1      2.614 ppm2      1.942
 ASSI { 5256}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD12")
      5.000     5.000     0.000 peak  5256 weight  0.10000E+01 volume -0.86200E+00 ppm1      2.751 ppm2      0.788
 OR { 5256}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5256}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 2762}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD12")
      5.000     5.000     0.000 peak  2762 weight  0.10000E+01 volume -0.11670E+01 ppm1      2.608 ppm2      0.787
 OR { 2762}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 2762}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 2692}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  2692 weight  0.10000E+01 volume -0.77400E+00 ppm1      1.612 ppm2      1.415
 ASSI { 2726}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB2 ")
      3.300     3.300     0.000 peak  2726 weight  0.10000E+01 volume -0.39180E+01 ppm1      4.168 ppm2      1.626
 OR { 2726}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 2726}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB1 ")
 ASSI { 2729}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB1 ")
      5.000     5.000     0.000 peak  2729 weight  0.10000E+01 volume -0.10400E+01 ppm1      4.168 ppm2      2.416
 ASSI { 2730}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB2 ")
      5.000     5.000     0.000 peak  2730 weight  0.10000E+01 volume -0.78400E+00 ppm1      4.155 ppm2      1.889
 ASSI { 2733}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     6.000     0.000 peak  2733 weight  0.10000E+01 volume -0.18600E+00 ppm1      4.168 ppm2      3.734
 OR { 2733}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 2740}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HB1 ")
      6.000     6.000     0.000 peak  2740 weight  0.10000E+01 volume -0.21900E+00 ppm1      1.639 ppm2      2.416
 OR { 2740}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 2740}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 2748}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "32  " and name "HB1 ")
      5.000     5.000     0.000 peak  2748 weight  0.10000E+01 volume  0.40100E+00 ppm1      4.182 ppm2      2.838
 ASSI { 2754}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  2754 weight  0.10000E+01 volume -0.83400E+00 ppm1      1.889 ppm2      4.182
 ASSI { 2768}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "15  " and name "HG23")
      6.000     6.000     0.000 peak  2768 weight  0.10000E+01 volume -0.10500E+00 ppm1      1.836 ppm2      0.941
 OR { 2768}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2768}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 2769}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  2769 weight  0.10000E+01 volume -0.16900E+00 ppm1      1.850 ppm2      4.551
 ASSI { 2765}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  2765 weight  0.10000E+01 volume -0.46900E+00 ppm1      1.850 ppm2      4.182
 ASSI { 2789}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB  ")
      5.000     5.000     0.000 peak  2789 weight  0.10000E+01 volume -0.94000E+00 ppm1      3.325 ppm2      1.995
 ASSI { 2788}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD13")
      5.000     5.000     0.000 peak  2788 weight  0.10000E+01 volume -0.51500E+00 ppm1      3.325 ppm2      0.045
 OR { 2788}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2788}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD12")
 ASSI { 2787}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG11")
      5.000     5.000     0.000 peak  2787 weight  0.10000E+01 volume -0.10250E+01 ppm1      3.325 ppm2      1.309
 ASSI { 2786}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG12")
      5.000     5.000     0.000 peak  2786 weight  0.10000E+01 volume -0.11880E+01 ppm1      3.325 ppm2      0.334
 ASSI { 2784}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG21")
      5.000     5.000     0.000 peak  2784 weight  0.10000E+01 volume -0.17320E+01 ppm1      3.325 ppm2      0.519
 OR { 2784}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 2784}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG23")
 ASSI { 2790}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB2 ")
      5.000     5.000     0.000 peak  2790 weight  0.10000E+01 volume -0.66000E+00 ppm1      3.325 ppm2      1.863
 ASSI { 2798}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HD12")
      5.000     5.000     0.000 peak  2798 weight  0.10000E+01 volume -0.11180E+01 ppm1      2.008 ppm2      0.045
 OR { 2798}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2798}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 2803}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG11")
      5.000     5.000     0.000 peak  2803 weight  0.10000E+01 volume -0.70400E+00 ppm1      1.995 ppm2      1.309
 ASSI { 2808}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG12")
      5.000     5.000     0.000 peak  2808 weight  0.10000E+01 volume -0.45000E+00 ppm1      2.008 ppm2      0.334
 ASSI { 5353}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "5   " and name "HD22")
      3.300     3.300     0.000 peak  5353 weight  0.10000E+01 volume -0.29510E+01 ppm1      0.044 ppm2      0.683
 OR { 5353}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "5   " and name "HD21")
 OR { 5353}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "5   " and name "HD22")
 OR { 5353}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "5   " and name "HD23")
 OR { 5353}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "5   " and name "HD23")
 OR { 5353}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "5   " and name "HD23")
 OR { 5353}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "5   " and name "HD21")
 OR { 5353}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "5   " and name "HD22")
 OR { 5353}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "5   " and name "HD21")
 ASSI { 2843}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "26  " and name "HE2 ")
      5.000     5.000     0.000 peak  2843 weight  0.10000E+01 volume -0.32100E+00 ppm1      0.045 ppm2      6.896
 OR { 2843}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 2843}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2843}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2843}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 2843}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "26  " and name "HE2 ")
 ASSI { 2838}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HG11")
      3.300     3.300     0.000 peak  2838 weight  0.10000E+01 volume -0.25950E+01 ppm1      0.045 ppm2      1.309
 OR { 2838}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HG11")
 OR { 2838}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HG11")
 ASSI { 2839}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HG12")
      3.300     3.300     0.000 peak  2839 weight  0.10000E+01 volume -0.26130E+01 ppm1      0.045 ppm2      0.334
 OR { 2839}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HG12")
 OR { 2839}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 2837}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HG22")
      3.300     3.300     0.000 peak  2837 weight  0.10000E+01 volume -0.28640E+01 ppm1      0.045 ppm2      0.519
 OR { 2837}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HG23")
 OR { 2837}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HG22")
 OR { 2837}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HG21")
 OR { 2837}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HG23")
 OR { 2837}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HG21")
 OR { 2837}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HG21")
 OR { 2837}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HG23")
 OR { 2837}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 5351}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD12")
      2.700     2.700     0.000 peak  5351 weight  0.10000E+01 volume -0.51850E+01 ppm1      0.044 ppm2      0.788
 OR { 5351}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5351}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5351}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5351}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5351}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HD12")
 OR { 5351}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5351}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5351}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "43  " and name "HD12")
 ASSI { 5314}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "15  " and name "HD13")
      5.000     5.000     0.000 peak  5314 weight  0.10000E+01 volume -0.62000E+00 ppm1      1.308 ppm2      0.652
 OR { 5314}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "15  " and name "HD11")
 OR { 5314}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "15  " and name "HD12")
 ASSI { 2779}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "30  " and name "HG11")
      3.300     3.300     0.000 peak  2779 weight  0.10000E+01 volume -0.20350E+01 ppm1      0.334 ppm2      1.309
 ASSI { 2802}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "30  " and name "HG23")
      5.000     5.000     0.000 peak  2802 weight  0.10000E+01 volume -0.56300E+00 ppm1      1.323 ppm2      0.519
 OR { 2802}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "30  " and name "HG21")
 OR { 2802}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 2821}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "5   " and name "HD23")
      5.000     5.000     0.000 peak  2821 weight  0.10000E+01 volume -0.19540E+01 ppm1      0.532 ppm2      0.677
 OR { 2821}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2821}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2821}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2821}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2821}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "5   " and name "HD23")
 OR { 2821}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "5   " and name "HD21")
 OR { 2821}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "5   " and name "HD22")
 OR { 2821}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "5   " and name "HD23")
 ASSI { 2819}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "30  " and name "HB  ")
      3.300     3.300     0.000 peak  2819 weight  0.10000E+01 volume -0.31040E+01 ppm1      0.532 ppm2      1.995
 OR { 2819}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 2819}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 2827}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "34  " and name "HB2 ")
      5.000     5.000     0.000 peak  2827 weight  0.10000E+01 volume -0.82900E+00 ppm1      0.532 ppm2      1.652
 OR { 2827}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 2827}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "34  " and name "HB2 ")
 ASSI { 2828}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "36  " and name "HB  ")
      5.000     5.000     0.000 peak  2828 weight  0.10000E+01 volume -0.60500E+00 ppm1      0.532 ppm2      1.468
 OR { 2828}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 2828}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 2832}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "36  " and name "HG12")
      6.000     6.000     0.000 peak  2832 weight  0.10000E+01 volume -0.24200E+00 ppm1      0.532 ppm2      1.151
 OR { 2832}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "36  " and name "HG12")
 OR { 2832}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "36  " and name "HG12")
 ASSI { 2835}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  2835 weight  0.10000E+01 volume -0.72000E-01 ppm1      0.532 ppm2      4.076
 OR { 2835}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 2835}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 2851}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB2 ")
      5.000     5.000     0.000 peak  2851 weight  0.10000E+01 volume  0.61500E+00 ppm1      3.786 ppm2      1.889
 ASSI { 2861}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  2861 weight  0.10000E+01 volume -0.56800E+00 ppm1      2.403 ppm2      3.786
 ASSI { 2863}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HB1 ")
      3.300     3.300     0.000 peak  2863 weight  0.10000E+01 volume -0.23880E+01 ppm1      1.889 ppm2      2.416
 ASSI { 2850}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HG1 ")
      5.000     5.000     0.000 peak  2850 weight  0.10000E+01 volume -0.78700E+00 ppm1      2.416 ppm2      2.258
 ASSI { 5364}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HG2 ")
      3.300     3.300     0.000 peak  5364 weight  0.10000E+01 volume -0.25440E+01 ppm1      2.410 ppm2      1.901
 ASSI { 2867}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  2867 weight  0.10000E+01 volume -0.19400E+00 ppm1      1.902 ppm2      4.603
 ASSI { 5371}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
      5.000     5.000     0.000 peak  5371 weight  0.10000E+01 volume -0.10270E+01 ppm1      1.889 ppm2      3.719
 OR { 5371}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 2874}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  2874 weight  0.10000E+01 volume -0.76600E+00 ppm1      1.902 ppm2      3.786
 ASSI { 5374}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD1 ")
      5.000     5.000     0.000 peak  5374 weight  0.10000E+01 volume -0.32300E+00 ppm1      2.261 ppm2      3.720
 OR { 5374}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 5378}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HD1 ")
      5.000     5.000     0.000 peak  5378 weight  0.10000E+01 volume -0.54900E+00 ppm1      1.901 ppm2      3.719
 OR { 5378}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 2891}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB2 ")
      3.300     3.300     0.000 peak  2891 weight  0.10000E+01 volume -0.20140E+01 ppm1      4.313 ppm2      1.863
 ASSI { 2900}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  2900 weight  0.10000E+01 volume -0.31900E+00 ppm1      1.942 ppm2      3.312
 ASSI { 2918}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak  2918 weight  0.10000E+01 volume -0.94900E+00 ppm1      1.718 ppm2      4.313
 OR { 2918}
     (segid "    " and resid "33  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HA  ")
 ASSI { 2952}
     (segid "    " and resid "35  " and name "HA2 ")
     (segid "    " and resid "35  " and name "HA1 ")
      2.700     2.700     0.000 peak  2952 weight  0.10000E+01 volume -0.43870E+01 ppm1      3.905 ppm2      4.103
 ASSI { 2966}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HB  ")
      5.000     5.000     0.000 peak  2966 weight  0.10000E+01 volume -0.66000E+00 ppm1      4.498 ppm2      1.468
 ASSI { 2968}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD13")
      5.000     5.000     0.000 peak  2968 weight  0.10000E+01 volume -0.49800E+00 ppm1      4.498 ppm2      0.782
 OR { 2968}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2968}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD11")
 ASSI { 2970}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG11")
      5.000     5.000     0.000 peak  2970 weight  0.10000E+01 volume -0.41600E+00 ppm1      4.498 ppm2      1.362
 ASSI { 2967}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG12")
      5.000     5.000     0.000 peak  2967 weight  0.10000E+01 volume -0.50400E+00 ppm1      4.498 ppm2      1.125
 ASSI { 2965}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
      5.000     5.000     0.000 peak  2965 weight  0.10000E+01 volume -0.12810E+01 ppm1      4.498 ppm2      0.914
 OR { 2965}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 2965}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
 ASSI { 2962}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HD1 ")
      3.300     3.300     0.000 peak  2962 weight  0.10000E+01 volume -0.27410E+01 ppm1      4.498 ppm2      4.129
 ASSI { 2963}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  2963 weight  0.10000E+01 volume -0.19400E+01 ppm1      4.498 ppm2      3.549
 ASSI { 2972}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     5.000     0.000 peak  2972 weight  0.10000E+01 volume -0.41900E+00 ppm1      4.498 ppm2      2.047
 OR { 2972}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 2975}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HG11")
      5.000     5.000     0.000 peak  2975 weight  0.10000E+01 volume -0.88300E+00 ppm1      1.481 ppm2      1.362
 ASSI { 2977}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HG12")
      5.000     5.000     0.000 peak  2977 weight  0.10000E+01 volume -0.65000E+00 ppm1      1.481 ppm2      1.151
 ASSI { 2980}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "41  " and name "HG1 ")
      6.000     6.000     0.000 peak  2980 weight  0.10000E+01 volume -0.18600E+00 ppm1      1.481 ppm2      2.495
 ASSI { 3017}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HB2 ")
      5.000     5.000     0.000 peak  3017 weight  0.10000E+01 volume -0.58500E+00 ppm1      0.796 ppm2      1.652
 OR { 3017}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 3017}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HB2 ")
 ASSI { 3018}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HG2 ")
      5.000     5.000     0.000 peak  3018 weight  0.10000E+01 volume -0.37000E+00 ppm1      0.796 ppm2      1.995
 OR { 3018}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 3018}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 3018}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 3018}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 3018}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 3010}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG11")
      3.300     3.300     0.000 peak  3010 weight  0.10000E+01 volume -0.21730E+01 ppm1      0.796 ppm2      1.362
 OR { 3010}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG11")
 OR { 3010}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 3009}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG12")
      3.300     3.300     0.000 peak  3009 weight  0.10000E+01 volume -0.24750E+01 ppm1      0.796 ppm2      1.125
 OR { 3009}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG12")
 OR { 3009}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG12")
 ASSI { 5464}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "37  " and name "HD1 ")
      6.000     6.000     0.000 peak  5464 weight  0.10000E+01 volume -0.24000E+00 ppm1      0.789 ppm2      4.137
 OR { 5464}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 5464}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 3022}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "37  " and name "HD2 ")
      6.000     6.000     0.000 peak  3022 weight  0.10000E+01 volume -0.12000E+00 ppm1      0.796 ppm2      3.549
 OR { 3022}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "37  " and name "HD2 ")
 OR { 3022}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "37  " and name "HD2 ")
 ASSI { 3021}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  3021 weight  0.10000E+01 volume -0.26000E+00 ppm1      0.796 ppm2      4.103
 OR { 3021}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 3021}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 3019}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "41  " and name "HG1 ")
      6.000     6.000     0.000 peak  3019 weight  0.10000E+01 volume -0.28000E+00 ppm1      0.796 ppm2      2.495
 OR { 3019}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 3019}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "41  " and name "HG1 ")
 ASSI { 2961}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "36  " and name "HG12")
      2.700     2.700     0.000 peak  2961 weight  0.10000E+01 volume -0.45740E+01 ppm1      1.375 ppm2      1.125
 ASSI { 2989}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "37  " and name "HD1 ")
      6.000     6.000     0.000 peak  2989 weight  0.10000E+01 volume -0.10800E+00 ppm1      1.375 ppm2      4.129
 ASSI { 2993}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "36  " and name "HB  ")
      3.300     3.300     0.000 peak  2993 weight  0.10000E+01 volume -0.21390E+01 ppm1      0.901 ppm2      1.468
 OR { 2993}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 2993}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 3001}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HD1 ")
      5.000     5.000     0.000 peak  3001 weight  0.10000E+01 volume -0.73900E+00 ppm1      0.901 ppm2      4.129
 OR { 3001}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3001}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 3000}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  3000 weight  0.10000E+01 volume -0.79100E+00 ppm1      0.901 ppm2      3.549
 OR { 3000}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HD2 ")
 OR { 3000}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HD2 ")
 ASSI { 3006}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HG2 ")
      6.000     6.000     0.000 peak  3006 weight  0.10000E+01 volume -0.25700E+00 ppm1      0.901 ppm2      2.047
 OR { 3006}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 3006}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 3006}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 3006}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 3006}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 2996}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak  2996 weight  0.10000E+01 volume -0.12330E+01 ppm1      0.901 ppm2      1.784
 OR { 2996}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "40  " and name "HB2 ")
 OR { 2996}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "40  " and name "HB2 ")
 ASSI { 3004}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "40  " and name "HG2 ")
      5.000     5.000     0.000 peak  3004 weight  0.10000E+01 volume -0.41500E+00 ppm1      0.901 ppm2      2.363
 OR { 3004}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 3004}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 3004}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 3004}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 3004}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "40  " and name "HG2 ")
 ASSI { 5451}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HA  ")
      5.000     5.000     0.000 peak  5451 weight  0.10000E+01 volume -0.81900E+00 ppm1      0.902 ppm2      4.091
 OR { 5451}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 5451}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 2999}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  2999 weight  0.10000E+01 volume -0.81900E+00 ppm1      0.901 ppm2      1.599
 OR { 2999}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 2999}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HG2 ")
 ASSI { 3025}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HB1 ")
      5.000     5.000     0.000 peak  3025 weight  0.10000E+01 volume -0.67700E+00 ppm1      4.603 ppm2      2.416
 ASSI { 3026}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HB2 ")
      5.000     5.000     0.000 peak  3026 weight  0.10000E+01 volume -0.47000E+00 ppm1      4.603 ppm2      1.942
 ASSI { 3027}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     5.000     0.000 peak  3027 weight  0.10000E+01 volume -0.35300E+00 ppm1      4.603 ppm2      2.047
 OR { 3027}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 3035}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HD1 ")
      6.000     6.000     0.000 peak  3035 weight  0.10000E+01 volume -0.22600E+00 ppm1      2.403 ppm2      4.129
 ASSI { 3039}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  3039 weight  0.10000E+01 volume -0.35800E+00 ppm1      1.955 ppm2      3.549
 ASSI { 3031}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HG1 ")
      3.300     3.300     0.000 peak  3031 weight  0.10000E+01 volume -0.26540E+01 ppm1      2.403 ppm2      2.047
 OR { 3031}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 3033}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD2 ")
      5.000     5.000     0.000 peak  3033 weight  0.10000E+01 volume -0.89700E+00 ppm1      2.403 ppm2      3.734
 OR { 3033}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 3038}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
      5.000     5.000     0.000 peak  3038 weight  0.10000E+01 volume -0.51800E+00 ppm1      1.955 ppm2      3.734
 OR { 3038}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 3052}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HB  ")
      6.000     6.000     0.000 peak  3052 weight  0.10000E+01 volume -0.10700E+00 ppm1      4.142 ppm2      1.468
 ASSI { 3062}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HB  ")
      6.000     6.000     0.000 peak  3062 weight  0.10000E+01 volume -0.11200E+00 ppm1      3.562 ppm2      1.468
 ASSI { 3051}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG12")
      6.000     6.000     0.000 peak  3051 weight  0.10000E+01 volume -0.96000E-01 ppm1      4.142 ppm2      1.125
 ASSI { 3058}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HB1 ")
      5.000     5.000     0.000 peak  3058 weight  0.10000E+01 volume -0.46700E+00 ppm1      3.562 ppm2      2.390
 ASSI { 3047}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HB2 ")
      5.000     5.000     0.000 peak  3047 weight  0.10000E+01 volume -0.33300E+00 ppm1      4.142 ppm2      1.942
 ASSI { 3041}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HD2 ")
      2.700     2.700     0.000 peak  3041 weight  0.10000E+01 volume -0.40970E+01 ppm1      4.142 ppm2      3.549
 ASSI { 3043}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     5.000     0.000 peak  3043 weight  0.10000E+01 volume -0.15660E+01 ppm1      4.142 ppm2      2.047
 OR { 3043}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 3054}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HG2 ")
      5.000     5.000     0.000 peak  3054 weight  0.10000E+01 volume -0.14170E+01 ppm1      3.562 ppm2      2.047
 OR { 3054}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 3060}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HB1 ")
      6.000     6.000     0.000 peak  3060 weight  0.10000E+01 volume -0.25300E+00 ppm1      3.562 ppm2      2.469
 ASSI { 3057}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak  3057 weight  0.10000E+01 volume -0.39500E+00 ppm1      3.562 ppm2      1.784
 ASSI { 5517}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  5517 weight  0.10000E+01 volume -0.16200E+00 ppm1      4.056 ppm2      4.371
 ASSI { 3066}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
      5.000     5.000     0.000 peak  3066 weight  0.10000E+01 volume -0.17960E+01 ppm1      4.063 ppm2      1.626
 OR { 3066}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI { 3082}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
      6.000     6.000     0.000 peak  3082 weight  0.10000E+01 volume -0.13800E+00 ppm1      4.063 ppm2      0.888
 OR { 3082}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3082}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 3073}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     5.000     0.000 peak  3073 weight  0.10000E+01 volume -0.16190E+01 ppm1      4.063 ppm2      2.258
 ASSI { 3074}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     5.000     0.000 peak  3074 weight  0.10000E+01 volume -0.14540E+01 ppm1      4.063 ppm2      2.021
 ASSI { 3079}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD1 ")
      5.000     5.000     0.000 peak  3079 weight  0.10000E+01 volume -0.35800E+00 ppm1      4.063 ppm2      3.734
 OR { 3079}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 3081}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "39  " and name "HA  ")
      6.000     6.000     0.000 peak  3081 weight  0.10000E+01 volume -0.16100E+00 ppm1      4.063 ppm2      4.392
 ASSI { 3078}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  3078 weight  0.10000E+01 volume -0.59600E+00 ppm1      4.063 ppm2      1.942
 ASSI { 3077}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  3077 weight  0.10000E+01 volume -0.67900E+00 ppm1      4.063 ppm2      2.495
 ASSI { 5531}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  5531 weight  0.10000E+01 volume -0.15690E+01 ppm1      4.056 ppm2      1.592
 ASSI { 3091}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
      5.000     5.000     0.000 peak  3091 weight  0.10000E+01 volume -0.46700E+00 ppm1      2.034 ppm2      3.734
 OR { 3091}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 3106}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HB1 ")
      5.000     5.000     0.000 peak  3106 weight  0.10000E+01 volume -0.12110E+01 ppm1      3.721 ppm2      2.416
 OR { 3106}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 3102}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HA  ")
      3.300     3.300     0.000 peak  3102 weight  0.10000E+01 volume -0.33920E+01 ppm1      3.721 ppm2      4.603
 OR { 3102}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 3105}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HG2 ")
      5.000     5.000     0.000 peak  3105 weight  0.10000E+01 volume -0.15180E+01 ppm1      3.721 ppm2      1.626
 OR { 3105}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HG2 ")
 ASSI { 3110}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HB1 ")
      3.300     3.300     0.000 peak  3110 weight  0.10000E+01 volume -0.28950E+01 ppm1      4.406 ppm2      2.759
 ASSI { 3119}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HB1 ")
      2.700     2.700     0.000 peak  3119 weight  0.10000E+01 volume -0.72830E+01 ppm1      2.653 ppm2      2.759
 ASSI { 3123}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HG2 ")
      3.300     3.300     0.000 peak  3123 weight  0.10000E+01 volume -0.22150E+01 ppm1      2.469 ppm2      2.363
 OR { 3123}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HG1 ")
 ASSI { 3142}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD1 ")
      6.000     6.000     0.000 peak  3142 weight  0.10000E+01 volume -0.10900E+00 ppm1      2.363 ppm2      4.129
 OR { 3142}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 3141}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HD2 ")
      6.000     6.000     0.000 peak  3141 weight  0.10000E+01 volume -0.21600E+00 ppm1      2.377 ppm2      3.549
 OR { 3141}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD2 ")
 ASSI { 3139}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HG2 ")
      5.000     5.000     0.000 peak  3139 weight  0.10000E+01 volume -0.66100E+00 ppm1      2.377 ppm2      2.047
 OR { 3139}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 3139}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 3139}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 3137}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HB2 ")
      3.300     3.300     0.000 peak  3137 weight  0.10000E+01 volume -0.20380E+01 ppm1      2.377 ppm2      1.784
 OR { 3137}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HB2 ")
 ASSI { 3147}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  3147 weight  0.10000E+01 volume -0.90600E+00 ppm1      4.089 ppm2      1.916
 ASSI { 3146}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  3146 weight  0.10000E+01 volume -0.83100E+00 ppm1      4.089 ppm2      2.495
 ASSI { 3145}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  3145 weight  0.10000E+01 volume -0.12400E+01 ppm1      4.089 ppm2      1.599
 ASSI { 3151}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD11")
      5.000     5.000     0.000 peak  3151 weight  0.10000E+01 volume -0.34200E+00 ppm1      1.942 ppm2      0.835
 OR { 3151}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 3151}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD12")
 ASSI { 3175}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  3175 weight  0.10000E+01 volume -0.72300E+00 ppm1      1.705 ppm2      4.419
 ASSI { 3183}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  3183 weight  0.10000E+01 volume -0.88200E+00 ppm1      1.520 ppm2      4.419
 ASSI { 3173}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HD2 ")
      5.000     5.000     0.000 peak  3173 weight  0.10000E+01 volume -0.73900E+00 ppm1      1.705 ppm2      3.075
 OR { 3173}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 3177}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG23")
      5.000     5.000     0.000 peak  3177 weight  0.10000E+01 volume -0.40500E+00 ppm1      1.705 ppm2      0.809
 OR { 3177}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 3177}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG21")
 ASSI { 3190}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  3190 weight  0.10000E+01 volume -0.63700E+00 ppm1      3.088 ppm2      4.419
 OR { 3190}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 3196}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HG2 ")
      6.000     6.000     0.000 peak  3196 weight  0.10000E+01 volume -0.12800E+00 ppm1      3.075 ppm2      2.258
 OR { 3196}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 3196}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 3196}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 3189}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG23")
      5.000     5.000     0.000 peak  3189 weight  0.10000E+01 volume -0.61600E+00 ppm1      3.088 ppm2      0.809
 OR { 3189}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 3189}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 3189}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 3189}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 3189}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG21")
 ASSI { 3198}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak  3198 weight  0.10000E+01 volume -0.15000E+01 ppm1      5.354 ppm2      1.020
 ASSI { 3200}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  3200 weight  0.10000E+01 volume -0.83500E+00 ppm1      5.354 ppm2      1.731
 ASSI { 3201}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HG  ")
      5.000     5.000     0.000 peak  3201 weight  0.10000E+01 volume -0.62100E+00 ppm1      5.354 ppm2      1.468
 ASSI { 5617}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
      5.000     5.000     0.000 peak  5617 weight  0.10000E+01 volume -0.87600E+00 ppm1      5.341 ppm2      0.967
 OR { 5617}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5617}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
 ASSI { 3199}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "69  " and name "HA  ")
      5.000     5.000     0.000 peak  3199 weight  0.10000E+01 volume -0.94300E+00 ppm1      5.354 ppm2      5.078
 ASSI { 3204}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HB1 ")
      3.300     3.300     0.000 peak  3204 weight  0.10000E+01 volume -0.24150E+01 ppm1      1.744 ppm2      1.020
 ASSI { 3213}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD12")
      5.000     5.000     0.000 peak  3213 weight  0.10000E+01 volume -0.10430E+01 ppm1      1.033 ppm2      0.782
 OR { 3213}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3213}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 3206}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD12")
      5.000     5.000     0.000 peak  3206 weight  0.10000E+01 volume -0.99800E+00 ppm1      1.744 ppm2      0.782
 OR { 3206}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3206}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 3216}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HG  ")
      5.000     5.000     0.000 peak  3216 weight  0.10000E+01 volume -0.53100E+00 ppm1      1.033 ppm2      1.468
 ASSI { 3217}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD11")
      5.000     5.000     0.000 peak  3217 weight  0.10000E+01 volume -0.37700E+00 ppm1      1.033 ppm2      0.572
 OR { 3217}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3217}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 3208}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD11")
      5.000     5.000     0.000 peak  3208 weight  0.10000E+01 volume -0.34200E+00 ppm1      1.744 ppm2      0.572
 OR { 3208}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3208}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 3212}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD22")
      6.000     6.000     0.000 peak  3212 weight  0.10000E+01 volume -0.11300E+00 ppm1      1.757 ppm2      0.150
 OR { 3212}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3212}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 5624}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG  ")
      5.000     5.000     0.000 peak  5624 weight  0.10000E+01 volume -0.43000E+00 ppm1      1.736 ppm2      1.145
 ASSI { 5639}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "26  " and name "HB1 ")
      6.000     6.000     0.000 peak  5639 weight  0.10000E+01 volume -0.10500E+00 ppm1      0.787 ppm2      3.565
 OR { 5639}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 5639}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 3231}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HD11")
      3.300     3.300     0.000 peak  3231 weight  0.10000E+01 volume -0.21620E+01 ppm1      0.756 ppm2      0.045
 OR { 3231}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3231}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3231}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3231}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HD11")
 OR { 3231}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3231}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3231}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3231}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 3240}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HG21")
      5.000     5.000     0.000 peak  3240 weight  0.10000E+01 volume -0.51000E+00 ppm1      0.756 ppm2      0.545
 OR { 3240}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3240}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3240}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3240}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3240}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3240}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3240}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3240}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "30  " and name "HG23")
 ASSI { 3245}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HB  ")
      5.000     5.000     0.000 peak  3245 weight  0.10000E+01 volume -0.38300E+00 ppm1      4.919 ppm2      1.784
 ASSI { 3244}
     (segid "    " and resid "44  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG12")
      5.000     5.000     0.000 peak  3244 weight  0.10000E+01 volume -0.43200E+00 ppm1      4.919 ppm2      1.072
 ASSI { 3251}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG12")
      5.000     5.000     0.000 peak  3251 weight  0.10000E+01 volume -0.58200E+00 ppm1      1.784 ppm2      1.072
 ASSI { 3248}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG21")
      3.300     3.300     0.000 peak  3248 weight  0.10000E+01 volume -0.20390E+01 ppm1      1.784 ppm2      0.677
 OR { 3248}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 3248}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 3278}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "68  " and name "HB1 ")
      5.000     5.000     0.000 peak  3278 weight  0.10000E+01 volume -0.75200E+00 ppm1      0.664 ppm2      3.075
 OR { 3278}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 3278}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 3278}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 3278}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 3278}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 3254}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HG21")
      5.000     5.000     0.000 peak  3254 weight  0.10000E+01 volume -0.13490E+01 ppm1      1.085 ppm2      0.677
 OR { 3254}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HG22")
 OR { 3254}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HG23")
 ASSI { 3258}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "68  " and name "HB1 ")
      6.000     6.000     0.000 peak  3258 weight  0.10000E+01 volume -0.12500E+00 ppm1      1.072 ppm2      3.101
 OR { 3258}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 3259}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HA  ")
      3.300     3.300     0.000 peak  3259 weight  0.10000E+01 volume -0.21370E+01 ppm1      0.690 ppm2      4.919
 OR { 3259}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 3259}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 3268}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  3268 weight  0.10000E+01 volume -0.20500E+00 ppm1      0.690 ppm2      5.209
 OR { 3268}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 3268}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 3267}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "47  " and name "HA1 ")
      5.000     5.000     0.000 peak  3267 weight  0.10000E+01 volume -0.34100E+00 ppm1      0.690 ppm2      4.103
 OR { 3267}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 3267}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "47  " and name "HA1 ")
 ASSI { 3264}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "47  " and name "HA2 ")
      5.000     5.000     0.000 peak  3264 weight  0.10000E+01 volume -0.63000E+00 ppm1      0.690 ppm2      3.444
 OR { 3264}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "47  " and name "HA2 ")
 OR { 3264}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "47  " and name "HA2 ")
 ASSI { 3266}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
      5.000     5.000     0.000 peak  3266 weight  0.10000E+01 volume -0.54300E+00 ppm1      0.690 ppm2      3.101
 OR { 3266}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 3266}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 3266}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 3266}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 3266}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 3273}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "68  " and name "HD2 ")
      6.000     6.000     0.000 peak  3273 weight  0.10000E+01 volume -0.84000E-01 ppm1      0.690 ppm2      7.054
 OR { 3273}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "68  " and name "HD2 ")
 OR { 3273}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "68  " and name "HD2 ")
 ASSI { 3284}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  3284 weight  0.10000E+01 volume -0.13880E+01 ppm1      5.209 ppm2      2.943
 ASSI { 3285}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak  3285 weight  0.10000E+01 volume -0.96200E+00 ppm1      5.209 ppm2      2.811
 ASSI { 3282}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD2 ")
      5.000     5.000     0.000 peak  3282 weight  0.10000E+01 volume -0.16730E+01 ppm1      5.209 ppm2      7.449
 OR { 3282}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 3289}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HE2 ")
      5.000     5.000     0.000 peak  3289 weight  0.10000E+01 volume -0.38400E+00 ppm1      5.209 ppm2      7.554
 OR { 3289}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HE1 ")
 ASSI { 3290}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB2 ")
      6.000     6.000     0.000 peak  3290 weight  0.10000E+01 volume -0.12600E+00 ppm1      5.209 ppm2      0.809
 OR { 3290}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 3290}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB3 ")
 ASSI { 3294}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD12")
      6.000     6.000     0.000 peak  3294 weight  0.10000E+01 volume -0.11300E+00 ppm1      5.209 ppm2      0.572
 OR { 3294}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3294}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 3293}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  3293 weight  0.10000E+01 volume -0.88000E-01 ppm1      5.209 ppm2      0.150
 OR { 3293}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3293}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD22")
 ASSI { 3291}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  3291 weight  0.10000E+01 volume -0.12000E+00 ppm1      5.196 ppm2      1.494
 ASSI { 3295}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  3295 weight  0.10000E+01 volume -0.10700E+00 ppm1      5.209 ppm2      1.178
 ASSI { 3288}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
      6.000     6.000     0.000 peak  3288 weight  0.10000E+01 volume -0.28600E+00 ppm1      5.209 ppm2      0.967
 OR { 3288}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 3288}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 3297}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD1 ")
      5.000     5.000     0.000 peak  3297 weight  0.10000E+01 volume -0.77500E+00 ppm1      2.956 ppm2      7.449
 OR { 3297}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 3308}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD1 ")
      5.000     5.000     0.000 peak  3308 weight  0.10000E+01 volume -0.85300E+00 ppm1      2.811 ppm2      7.449
 OR { 3308}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 3306}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE1 ")
      6.000     6.000     0.000 peak  3306 weight  0.10000E+01 volume -0.17800E+00 ppm1      2.956 ppm2      7.554
 OR { 3306}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 5721}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HE1 ")
      5.000     5.000     0.000 peak  5721 weight  0.10000E+01 volume -0.30000E+00 ppm1      2.807 ppm2      7.546
 OR { 5721}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 3299}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD12")
      5.000     5.000     0.000 peak  3299 weight  0.10000E+01 volume -0.38000E+00 ppm1      2.943 ppm2      0.572
 OR { 3299}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3299}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 3311}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD13")
      5.000     5.000     0.000 peak  3311 weight  0.10000E+01 volume -0.30300E+00 ppm1      2.798 ppm2      0.572
 OR { 3311}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3311}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 3298}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD22")
      5.000     5.000     0.000 peak  3298 weight  0.10000E+01 volume -0.36500E+00 ppm1      2.943 ppm2      0.150
 OR { 3298}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3298}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 3309}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD21")
      5.000     5.000     0.000 peak  3309 weight  0.10000E+01 volume -0.44900E+00 ppm1      2.798 ppm2      0.150
 OR { 3309}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3309}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 3303}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD11")
      6.000     6.000     0.000 peak  3303 weight  0.10000E+01 volume -0.19000E+00 ppm1      2.943 ppm2      0.703
 OR { 3303}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3303}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD12")
 ASSI { 3316}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  3316 weight  0.10000E+01 volume -0.83000E-01 ppm1      2.798 ppm2      1.494
 ASSI { 3314}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  3314 weight  0.10000E+01 volume -0.14900E+00 ppm1      2.798 ppm2      1.178
 ASSI { 3329}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD12")
      6.000     6.000     0.000 peak  3329 weight  0.10000E+01 volume -0.12000E+00 ppm1      7.449 ppm2      0.387
 OR { 3329}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3329}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3329}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 3329}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3329}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD11")
 ASSI { 3327}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  3327 weight  0.10000E+01 volume -0.11100E+00 ppm1      7.449 ppm2      1.494
 OR { 3327}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HG11")
 ASSI { 3313}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "45  " and name "HE1 ")
      3.300     3.300     0.000 peak  3313 weight  0.10000E+01 volume -0.30110E+01 ppm1      7.436 ppm2      7.554
 OR { 3313}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 3317}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "61  " and name "HA  ")
      5.000     5.000     0.000 peak  3317 weight  0.10000E+01 volume -0.30100E+00 ppm1      7.436 ppm2      3.180
 ASSI { 3337}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB3 ")
      3.300     3.300     0.000 peak  3337 weight  0.10000E+01 volume -0.36170E+01 ppm1      3.707 ppm2      0.809
 OR { 3337}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 3337}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB1 ")
 ASSI { 3343}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD2 ")
      5.000     5.000     0.000 peak  3343 weight  0.10000E+01 volume -0.50900E+00 ppm1      0.809 ppm2      7.449
 OR { 3343}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 3343}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3343}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3343}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 3343}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 3344}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE2 ")
      5.000     5.000     0.000 peak  3344 weight  0.10000E+01 volume -0.34300E+00 ppm1      0.809 ppm2      7.528
 OR { 3344}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 3344}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 3344}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 3344}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 3344}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 5745}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HZ  ")
      5.000     5.000     0.000 peak  5745 weight  0.10000E+01 volume -0.54500E+00 ppm1      0.806 ppm2      7.434
 OR { 5745}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 5745}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HZ  ")
 ASSI { 3228}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG21")
      5.000     5.000     0.000 peak  3228 weight  0.10000E+01 volume -0.80600E+00 ppm1      4.906 ppm2      0.677
 OR { 3228}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 3228}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
 ASSI { 3385}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HG12")
      6.000     6.000     0.000 peak  3385 weight  0.10000E+01 volume -0.15900E+00 ppm1      2.258 ppm2      1.072
 OR { 3385}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HG12")
 ASSI { 3394}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
      5.000     5.000     0.000 peak  3394 weight  0.10000E+01 volume -0.37500E+00 ppm1      3.826 ppm2      1.046
 OR { 3394}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3394}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 3389}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB1 ")
      5.000     5.000     0.000 peak  3389 weight  0.10000E+01 volume -0.14410E+01 ppm1      3.826 ppm2      1.230
 ASSI { 3391}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     5.000     0.000 peak  3391 weight  0.10000E+01 volume -0.84000E+00 ppm1      3.826 ppm2      1.520
 ASSI { 3393}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD13")
      5.000     5.000     0.000 peak  3393 weight  0.10000E+01 volume -0.38800E+00 ppm1      3.826 ppm2      0.572
 OR { 3393}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3393}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 3388}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD23")
      5.000     5.000     0.000 peak  3388 weight  0.10000E+01 volume -0.16100E+01 ppm1      3.826 ppm2      0.150
 OR { 3388}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3388}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 5776}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG  ")
      5.000     5.000     0.000 peak  5776 weight  0.10000E+01 volume -0.95700E+00 ppm1      3.828 ppm2      1.145
 ASSI { 3398}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD2 ")
      6.000     6.000     0.000 peak  3398 weight  0.10000E+01 volume -0.10400E+00 ppm1      3.826 ppm2      7.265
 OR { 3398}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 3392}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE1 ")
      5.000     5.000     0.000 peak  3392 weight  0.10000E+01 volume -0.53400E+00 ppm1      3.826 ppm2      6.869
 OR { 3392}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 3400}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG22")
      5.000     5.000     0.000 peak  3400 weight  0.10000E+01 volume -0.87200E+00 ppm1      1.230 ppm2      1.046
 OR { 3400}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3400}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 3402}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HB1 ")
      3.300     3.300     0.000 peak  3402 weight  0.10000E+01 volume -0.24510E+01 ppm1      1.533 ppm2      1.230
 ASSI { 3410}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD13")
      5.000     5.000     0.000 peak  3410 weight  0.10000E+01 volume -0.54700E+00 ppm1      1.230 ppm2      0.572
 OR { 3410}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3410}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 3403}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD11")
      5.000     5.000     0.000 peak  3403 weight  0.10000E+01 volume -0.54700E+00 ppm1      1.533 ppm2      0.572
 OR { 3403}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3403}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 3411}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD21")
      5.000     5.000     0.000 peak  3411 weight  0.10000E+01 volume -0.43200E+00 ppm1      1.230 ppm2      0.150
 OR { 3411}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3411}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 3407}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD23")
      5.000     5.000     0.000 peak  3407 weight  0.10000E+01 volume -0.31000E+00 ppm1      1.533 ppm2      0.150
 OR { 3407}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3407}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD22")
 ASSI { 5782}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE1 ")
      6.000     6.000     0.000 peak  5782 weight  0.10000E+01 volume -0.10200E+00 ppm1      1.228 ppm2      6.859
 OR { 5782}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 3432}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "44  " and name "HA  ")
      6.000     6.000     0.000 peak  3432 weight  0.10000E+01 volume -0.24700E+00 ppm1      0.572 ppm2      4.919
 OR { 3432}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 3432}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 2365}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  2365 weight  0.10000E+01 volume -0.82000E-01 ppm1      0.569 ppm2      7.441
 OR { 2365}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 2365}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 2365}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 2365}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 2365}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 3414}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "50  " and name "HD22")
      3.300     3.300     0.000 peak  3414 weight  0.10000E+01 volume -0.26680E+01 ppm1      0.572 ppm2      0.150
 OR { 3414}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3414}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3414}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3414}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3414}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3414}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3414}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3414}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 3428}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "56  " and name "HD21")
      5.000     5.000     0.000 peak  3428 weight  0.10000E+01 volume -0.55000E+00 ppm1      0.572 ppm2      0.308
 OR { 3428}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "56  " and name "HD22")
 OR { 3428}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3428}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "56  " and name "HD22")
 OR { 3428}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "56  " and name "HD22")
 OR { 3428}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "56  " and name "HD21")
 OR { 3428}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3428}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "56  " and name "HD21")
 OR { 3428}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "56  " and name "HD23")
 ASSI { 3433}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "59  " and name "HE1 ")
      5.000     5.000     0.000 peak  3433 weight  0.10000E+01 volume -0.34200E+00 ppm1      0.572 ppm2      6.869
 OR { 3433}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3433}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3433}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3433}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3433}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 5815}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "67  " and name "HG11")
      5.000     5.000     0.000 peak  5815 weight  0.10000E+01 volume -0.92900E+00 ppm1      0.570 ppm2      1.474
 OR { 5815}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "67  " and name "HG11")
 OR { 5815}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "67  " and name "HG11")
 ASSI { 3440}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak  3440 weight  0.10000E+01 volume -0.91000E+00 ppm1      0.150 ppm2      1.046
 OR { 3440}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 3440}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 3441}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "43  " and name "HD13")
      5.000     5.000     0.000 peak  3441 weight  0.10000E+01 volume -0.58000E+00 ppm1      0.150 ppm2      0.809
 OR { 3441}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3441}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3441}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3441}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3441}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3441}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3441}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3441}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "43  " and name "HD11")
 ASSI { 3452}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "44  " and name "HA  ")
      6.000     6.000     0.000 peak  3452 weight  0.10000E+01 volume -0.13400E+00 ppm1      0.150 ppm2      4.919
 OR { 3452}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 3452}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 3453}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  3453 weight  0.10000E+01 volume -0.18200E+00 ppm1      0.150 ppm2      7.449
 OR { 3453}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 3453}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3453}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 3453}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3453}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 3422}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HG  ")
      5.000     5.000     0.000 peak  3422 weight  0.10000E+01 volume -0.19830E+01 ppm1      0.150 ppm2      1.151
 OR { 3422}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 3422}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 3451}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  3451 weight  0.10000E+01 volume -0.17900E+00 ppm1      0.150 ppm2      3.497
 OR { 3451}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 3451}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 3445}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HD1 ")
      5.000     5.000     0.000 peak  3445 weight  0.10000E+01 volume -0.42700E+00 ppm1      0.150 ppm2      7.265
 OR { 3445}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 3445}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 3445}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 3445}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 3445}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 3438}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "61  " and name "HD12")
      5.000     5.000     0.000 peak  3438 weight  0.10000E+01 volume -0.11560E+01 ppm1      0.150 ppm2      0.387
 OR { 3438}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3438}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3438}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3438}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3438}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "61  " and name "HD12")
 OR { 3438}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3438}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3438}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 3448}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "67  " and name "HD11")
      6.000     6.000     0.000 peak  3448 weight  0.10000E+01 volume -0.27600E+00 ppm1      0.150 ppm2      0.703
 OR { 3448}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3448}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "67  " and name "HD12")
 OR { 3448}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3448}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3448}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3448}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3448}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "67  " and name "HD12")
 OR { 3448}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "67  " and name "HD12")
 ASSI { 3419}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     5.000     0.000 peak  3419 weight  0.10000E+01 volume -0.75600E+00 ppm1      1.151 ppm2      1.520
 ASSI { 3461}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HG1 ")
      5.000     5.000     0.000 peak  3461 weight  0.10000E+01 volume -0.34200E+00 ppm1      4.590 ppm2      2.443
 ASSI { 3458}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HG2 ")
      5.000     5.000     0.000 peak  3458 weight  0.10000E+01 volume -0.58900E+00 ppm1      4.590 ppm2      2.311
 ASSI { 3475}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HG1 ")
      2.700     2.700     0.000 peak  3475 weight  0.10000E+01 volume -0.41030E+01 ppm1      2.298 ppm2      2.443
 ASSI { 3484}
     (segid "    " and resid "54  " and name "HA  ")
     (segid "    " and resid "54  " and name "HB1 ")
      5.000     5.000     0.000 peak  3484 weight  0.10000E+01 volume -0.39900E+00 ppm1      4.827 ppm2      2.390
 OR { 3484}
     (segid "    " and resid "54  " and name "HA  ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 3513}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HD1 ")
      5.000     5.000     0.000 peak  3513 weight  0.10000E+01 volume -0.53500E+00 ppm1      2.377 ppm2      3.180
 OR { 3513}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3513}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3513}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD2 ")
 ASSI { 3505}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HG1 ")
      5.000     5.000     0.000 peak  3505 weight  0.10000E+01 volume -0.15360E+01 ppm1      2.377 ppm2      1.942
 OR { 3505}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 3514}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "58  " and name "HB2 ")
      5.000     5.000     0.000 peak  3514 weight  0.10000E+01 volume -0.50900E+00 ppm1      2.377 ppm2      3.022
 OR { 3514}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HB2 ")
 ASSI { 3517}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HA  ")
      5.000     5.000     0.000 peak  3517 weight  0.10000E+01 volume -0.64500E+00 ppm1      3.207 ppm2      4.814
 OR { 3517}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HA  ")
 ASSI { 3481}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HG1 ")
      5.000     5.000     0.000 peak  3481 weight  0.10000E+01 volume -0.85200E+00 ppm1      3.207 ppm2      1.942
 OR { 3481}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 3497}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HA  ")
      5.000     5.000     0.000 peak  3497 weight  0.10000E+01 volume -0.30400E+00 ppm1      1.942 ppm2      4.814
 ASSI { 3529}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "55  " and name "HA  ")
      3.300     3.300     0.000 peak  3529 weight  0.10000E+01 volume -0.21380E+01 ppm1      4.471 ppm2      5.236
 ASSI { 3527}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "55  " and name "HG23")
      3.300     3.300     0.000 peak  3527 weight  0.10000E+01 volume -0.28090E+01 ppm1      4.471 ppm2      1.151
 OR { 3527}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 3527}
     (segid "    " and resid "55  " and name "HB  ")
     (segid "    " and resid "55  " and name "HG22")
 ASSI { 5918}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
      5.000     5.000     0.000 peak  5918 weight  0.10000E+01 volume -0.16330E+01 ppm1      4.041 ppm2      1.061
 OR { 5918}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 5918}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 3541}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  3541 weight  0.10000E+01 volume -0.15660E+01 ppm1      4.037 ppm2      1.046
 ASSI { 3546}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  3546 weight  0.10000E+01 volume -0.78200E+00 ppm1      4.037 ppm2      1.863
 ASSI { 5921}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD12")
      5.000     5.000     0.000 peak  5921 weight  0.10000E+01 volume -0.13200E+01 ppm1      4.041 ppm2      0.402
 OR { 5921}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 5921}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD13")
 ASSI { 3539}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD21")
      3.300     3.300     0.000 peak  3539 weight  0.10000E+01 volume -0.21960E+01 ppm1      4.037 ppm2      0.308
 OR { 3539}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3539}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 3549}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  3549 weight  0.10000E+01 volume -0.14200E+00 ppm1      4.050 ppm2      2.627
 ASSI { 3545}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD2 ")
      5.000     5.000     0.000 peak  3545 weight  0.10000E+01 volume -0.85700E+00 ppm1      4.037 ppm2      7.265
 OR { 3545}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 3550}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE1 ")
      6.000     6.000     0.000 peak  3550 weight  0.10000E+01 volume -0.13600E+00 ppm1      4.037 ppm2      6.869
 OR { 3550}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 5915}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB  ")
      5.000     5.000     0.000 peak  5915 weight  0.10000E+01 volume -0.53900E+00 ppm1      4.041 ppm2      1.125
 ASSI { 3544}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD11")
      5.000     5.000     0.000 peak  3544 weight  0.10000E+01 volume -0.13000E+01 ppm1      4.037 ppm2      0.387
 OR { 3544}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3544}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 3551}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HB1 ")
      3.300     3.300     0.000 peak  3551 weight  0.10000E+01 volume -0.24530E+01 ppm1      1.876 ppm2      1.072
 ASSI { 3557}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD12")
      5.000     5.000     0.000 peak  3557 weight  0.10000E+01 volume -0.10470E+01 ppm1      1.059 ppm2      0.414
 OR { 3557}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 3557}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD13")
 ASSI { 3552}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD11")
      5.000     5.000     0.000 peak  3552 weight  0.10000E+01 volume -0.94100E+00 ppm1      1.876 ppm2      0.414
 OR { 3552}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 3552}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 3559}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD21")
      5.000     5.000     0.000 peak  3559 weight  0.10000E+01 volume -0.74400E+00 ppm1      1.059 ppm2      0.308
 OR { 3559}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3559}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 3555}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD22")
      5.000     5.000     0.000 peak  3555 weight  0.10000E+01 volume -0.46500E+00 ppm1      1.876 ppm2      0.308
 OR { 3555}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3555}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD21")
 ASSI { 5929}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HB  ")
      5.000     5.000     0.000 peak  5929 weight  0.10000E+01 volume -0.70900E+00 ppm1      1.868 ppm2      1.128
 ASSI { 5942}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HG23")
      5.000     5.000     0.000 peak  5942 weight  0.10000E+01 volume -0.72200E+00 ppm1      1.055 ppm2      0.333
 OR { 5942}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HG21")
 OR { 5942}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HG22")
 ASSI { 5926}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HG22")
      5.000     5.000     0.000 peak  5926 weight  0.10000E+01 volume -0.45000E+00 ppm1      1.868 ppm2      0.334
 OR { 5926}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HG21")
 OR { 5926}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HG23")
 ASSI { 3569}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  3569 weight  0.10000E+01 volume -0.32700E+00 ppm1      0.414 ppm2      1.520
 OR { 3569}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 3569}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 3569}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 3569}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 3569}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 3569}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 3569}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 3569}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 3566}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HB  ")
      5.000     5.000     0.000 peak  3566 weight  0.10000E+01 volume -0.11630E+01 ppm1      0.414 ppm2      2.100
 OR { 3566}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HB  ")
 OR { 3566}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HB  ")
 ASSI { 3573}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  3573 weight  0.10000E+01 volume -0.36400E+00 ppm1      0.414 ppm2      2.601
 OR { 3573}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 3573}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 3576}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "26  " and name "HE1 ")
      6.000     6.000     0.000 peak  3576 weight  0.10000E+01 volume -0.82000E-01 ppm1      0.414 ppm2      6.869
 OR { 3576}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 3576}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 3576}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 3576}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "26  " and name "HE2 ")
 OR { 3576}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "26  " and name "HE1 ")
 ASSI { 3562}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HD21")
      2.700     2.700     0.000 peak  3562 weight  0.10000E+01 volume -0.40230E+01 ppm1      0.414 ppm2      0.308
 OR { 3562}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3562}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HD22")
 OR { 3562}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HD22")
 OR { 3562}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3562}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HD22")
 OR { 3562}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3562}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HD21")
 OR { 3562}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HD21")
 ASSI { 5963}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "61  " and name "HB  ")
      5.000     5.000     0.000 peak  5963 weight  0.10000E+01 volume -0.34900E+00 ppm1      0.411 ppm2      1.127
 OR { 5963}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "61  " and name "HB  ")
 OR { 5963}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "61  " and name "HB  ")
 ASSI { 5975}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  5975 weight  0.10000E+01 volume -0.11220E+01 ppm1      0.304 ppm2      3.562
 OR { 5975}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 5975}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 5981}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "61  " and name "HB  ")
      5.000     5.000     0.000 peak  5981 weight  0.10000E+01 volume -0.46900E+00 ppm1      0.304 ppm2      1.127
 OR { 5981}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "61  " and name "HB  ")
 OR { 5981}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "61  " and name "HB  ")
 ASSI { 3598}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB2 ")
      6.000     6.000     0.000 peak  3598 weight  0.10000E+01 volume -0.13300E+00 ppm1      4.287 ppm2      2.021
 ASSI { 3595}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "57  " and name "HB1 ")
      3.300     3.300     0.000 peak  3595 weight  0.10000E+01 volume -0.20690E+01 ppm1      4.287 ppm2      3.760
 ASSI { 3594}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "57  " and name "HB2 ")
      3.300     3.300     0.000 peak  3594 weight  0.10000E+01 volume -0.24880E+01 ppm1      4.287 ppm2      3.892
 ASSI { 3599}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB  ")
      6.000     6.000     0.000 peak  3599 weight  0.10000E+01 volume -0.11500E+00 ppm1      4.287 ppm2      1.151
 ASSI { 3604}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  3604 weight  0.10000E+01 volume -0.32800E+00 ppm1      3.892 ppm2      2.337
 ASSI { 3603}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  3603 weight  0.10000E+01 volume -0.31100E+00 ppm1      3.892 ppm2      2.021
 ASSI { 3601}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HB1 ")
      2.700     2.700     0.000 peak  3601 weight  0.10000E+01 volume -0.69230E+01 ppm1      3.892 ppm2      3.760
 ASSI { 3613}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD2 ")
      6.000     6.000     0.000 peak  3613 weight  0.10000E+01 volume -0.12500E+00 ppm1      3.022 ppm2      7.265
 OR { 3613}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 3616}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HB1 ")
      5.000     5.000     0.000 peak  3616 weight  0.10000E+01 volume -0.12390E+01 ppm1      4.511 ppm2      3.497
 ASSI { 3621}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  3621 weight  0.10000E+01 volume -0.13800E+00 ppm1      4.511 ppm2      6.869
 OR { 3621}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 3623}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD12")
      6.000     6.000     0.000 peak  3623 weight  0.10000E+01 volume -0.99000E-01 ppm1      4.511 ppm2      0.387
 OR { 3623}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3623}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 3628}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD2 ")
      5.000     5.000     0.000 peak  3628 weight  0.10000E+01 volume -0.33800E+00 ppm1      3.510 ppm2      7.449
 OR { 3628}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 3646}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HB1 ")
      3.300     3.300     0.000 peak  3646 weight  0.10000E+01 volume -0.21980E+01 ppm1      2.640 ppm2      3.497
 ASSI { 3655}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE1 ")
      6.000     6.000     0.000 peak  3655 weight  0.10000E+01 volume -0.89000E-01 ppm1      2.614 ppm2      6.869
 OR { 3655}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 3626}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD12")
      5.000     5.000     0.000 peak  3626 weight  0.10000E+01 volume -0.41500E+00 ppm1      3.510 ppm2      0.387
 OR { 3626}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3626}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 3648}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD12")
      5.000     5.000     0.000 peak  3648 weight  0.10000E+01 volume -0.47400E+00 ppm1      2.627 ppm2      0.387
 OR { 3648}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3648}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 3627}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HG11")
      5.000     5.000     0.000 peak  3627 weight  0.10000E+01 volume -0.33300E+00 ppm1      3.510 ppm2      1.020
 ASSI { 3651}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HG11")
      5.000     5.000     0.000 peak  3651 weight  0.10000E+01 volume -0.37100E+00 ppm1      2.627 ppm2      1.020
 ASSI { 3654}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HG12")
      6.000     6.000     0.000 peak  3654 weight  0.10000E+01 volume -0.10300E+00 ppm1      2.614 ppm2     -0.403
 ASSI { 3639}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG22")
      5.000     5.000     0.000 peak  3639 weight  0.10000E+01 volume -0.43200E+00 ppm1      7.278 ppm2      1.046
 OR { 3639}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3639}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3639}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3639}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3639}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 3640}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HD2 ")
      5.000     5.000     0.000 peak  3640 weight  0.10000E+01 volume -0.38500E+00 ppm1      7.265 ppm2      1.916
 OR { 3640}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 3640}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 3640}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HD2 ")
 ASSI { 6037}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HG11")
      5.000     5.000     0.000 peak  6037 weight  0.10000E+01 volume -0.45400E+00 ppm1      7.267 ppm2      1.025
 OR { 6037}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HG11")
 ASSI { 6049}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HD2 ")
      5.000     5.000     0.000 peak  6049 weight  0.10000E+01 volume -0.70600E+00 ppm1      6.864 ppm2      1.906
 OR { 6049}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 6049}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 6049}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 3658}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD21")
      5.000     5.000     0.000 peak  3658 weight  0.10000E+01 volume -0.35100E+00 ppm1      6.856 ppm2      0.150
 OR { 3658}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3658}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3658}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3658}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3658}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 3638}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HB2 ")
      3.300     3.300     0.000 peak  3638 weight  0.10000E+01 volume -0.22740E+01 ppm1      6.856 ppm2      2.363
 OR { 3638}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 3638}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 3638}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 3657}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HG1 ")
      5.000     5.000     0.000 peak  3657 weight  0.10000E+01 volume -0.83900E+00 ppm1      6.856 ppm2      1.942
 OR { 3657}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 6052}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "58  " and name "HB1 ")
      5.000     5.000     0.000 peak  6052 weight  0.10000E+01 volume -0.15470E+01 ppm1      6.864 ppm2      2.315
 OR { 6052}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "58  " and name "HB1 ")
 ASSI { 3667}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  3667 weight  0.10000E+01 volume -0.14300E+00 ppm1      6.856 ppm2      3.523
 OR { 3667}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 3660}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HB1 ")
      5.000     5.000     0.000 peak  3660 weight  0.10000E+01 volume -0.18500E+01 ppm1      4.379 ppm2      3.312
 ASSI { 3662}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HB2 ")
      5.000     5.000     0.000 peak  3662 weight  0.10000E+01 volume -0.16710E+01 ppm1      4.379 ppm2      2.864
 ASSI { 3666}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HB1 ")
      2.700     2.700     0.000 peak  3666 weight  0.10000E+01 volume -0.40440E+01 ppm1      2.851 ppm2      3.312
 ASSI { 3684}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "45  " and name "HE1 ")
      5.000     5.000     0.000 peak  3684 weight  0.10000E+01 volume -0.30400E+00 ppm1      3.194 ppm2      7.554
 OR { 3684}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 3681}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB  ")
      5.000     5.000     0.000 peak  3681 weight  0.10000E+01 volume -0.76800E+00 ppm1      3.194 ppm2      1.125
 ASSI { 6074}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD12")
      5.000     5.000     0.000 peak  6074 weight  0.10000E+01 volume -0.16690E+01 ppm1      3.189 ppm2      0.382
 OR { 6074}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6074}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD11")
 ASSI { 3680}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG11")
      5.000     5.000     0.000 peak  3680 weight  0.10000E+01 volume -0.11370E+01 ppm1      3.194 ppm2      1.020
 ASSI { 3679}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG12")
      5.000     5.000     0.000 peak  3679 weight  0.10000E+01 volume -0.13970E+01 ppm1      3.194 ppm2     -0.403
 ASSI { 3677}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG21")
      5.000     5.000     0.000 peak  3677 weight  0.10000E+01 volume -0.17270E+01 ppm1      3.194 ppm2      0.334
 OR { 3677}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG22")
 OR { 3677}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG23")
 ASSI { 3686}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "65  " and name "HB2 ")
      6.000     6.000     0.000 peak  3686 weight  0.10000E+01 volume -0.17600E+00 ppm1      3.194 ppm2      3.707
 ASSI { 3691}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD12")
      6.000     6.000     0.000 peak  3691 weight  0.10000E+01 volume -0.71000E-01 ppm1      3.194 ppm2      0.703
 OR { 3691}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3691}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
 ASSI { 6079}
     (segid "    " and resid "61  " and name "HB  ")
     (segid "    " and resid "61  " and name "HD11")
      5.000     5.000     0.000 peak  6079 weight  0.10000E+01 volume -0.19020E+01 ppm1      1.130 ppm2      0.381
 OR { 6079}
     (segid "    " and resid "61  " and name "HB  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6079}
     (segid "    " and resid "61  " and name "HB  ")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 3737}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  3737 weight  0.10000E+01 volume -0.30600E+00 ppm1      0.400 ppm2      2.943
 OR { 3737}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 3737}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 3730}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "50  " and name "HD12")
      5.000     5.000     0.000 peak  3730 weight  0.10000E+01 volume -0.15260E+01 ppm1      0.400 ppm2      0.572
 OR { 3730}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "50  " and name "HD11")
 OR { 3730}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3730}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3730}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3730}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "50  " and name "HD11")
 OR { 3730}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "50  " and name "HD13")
 OR { 3730}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "50  " and name "HD11")
 OR { 3730}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 3739}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  3739 weight  0.10000E+01 volume -0.32800E+00 ppm1      0.387 ppm2      1.863
 OR { 3739}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 3739}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "56  " and name "HB2 ")
 ASSI { 3738}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "59  " and name "HD1 ")
      5.000     5.000     0.000 peak  3738 weight  0.10000E+01 volume -0.31100E+00 ppm1      0.400 ppm2      7.265
 OR { 3738}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 3738}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 3738}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 3738}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 3738}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 3727}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HG11")
      3.300     3.300     0.000 peak  3727 weight  0.10000E+01 volume -0.22750E+01 ppm1      0.400 ppm2      1.020
 OR { 3727}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HG11")
 OR { 3727}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HG11")
 ASSI { 3731}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HG12")
      5.000     5.000     0.000 peak  3731 weight  0.10000E+01 volume -0.14230E+01 ppm1      0.400 ppm2     -0.403
 OR { 3731}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HG12")
 OR { 3731}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HG12")
 ASSI { 6134}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "67  " and name "HG12")
      5.000     5.000     0.000 peak  6134 weight  0.10000E+01 volume -0.13280E+01 ppm1      0.389 ppm2      1.176
 OR { 6134}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "67  " and name "HG12")
 OR { 6134}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "67  " and name "HG12")
 ASSI { 3705}
     (segid "    " and resid "61  " and name "HG11")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  3705 weight  0.10000E+01 volume -0.19900E+00 ppm1      1.020 ppm2      7.449
 OR { 3705}
     (segid "    " and resid "61  " and name "HG11")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 3712}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  3712 weight  0.10000E+01 volume -0.13400E+00 ppm1     -0.416 ppm2      7.449
 OR { 3712}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 3701}
     (segid "    " and resid "61  " and name "HG11")
     (segid "    " and resid "61  " and name "HB  ")
      5.000     5.000     0.000 peak  3701 weight  0.10000E+01 volume -0.62800E+00 ppm1      1.020 ppm2      1.125
 ASSI { 3707}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "61  " and name "HB  ")
      5.000     5.000     0.000 peak  3707 weight  0.10000E+01 volume -0.38800E+00 ppm1     -0.403 ppm2      1.125
 ASSI { 3700}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "61  " and name "HG11")
      3.300     3.300     0.000 peak  3700 weight  0.10000E+01 volume -0.21290E+01 ppm1     -0.403 ppm2      1.020
 ASSI { 6095}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "61  " and name "HG22")
      5.000     5.000     0.000 peak  6095 weight  0.10000E+01 volume -0.80000E+00 ppm1     -0.405 ppm2      0.333
 OR { 6095}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "61  " and name "HG23")
 OR { 6095}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "61  " and name "HG21")
 ASSI { 3710}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "67  " and name "HD12")
      6.000     6.000     0.000 peak  3710 weight  0.10000E+01 volume -0.17100E+00 ppm1     -0.416 ppm2      0.703
 OR { 3710}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "67  " and name "HD13")
 OR { 3710}
     (segid "    " and resid "61  " and name "HG12")
     (segid "    " and resid "67  " and name "HD11")
 ASSI { 3711}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  3711 weight  0.10000E+01 volume -0.12620E+01 ppm1      0.348 ppm2      1.520
 OR { 3711}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 3711}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 3711}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 3711}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 3711}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 3711}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 3711}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 3711}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 3724}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  3724 weight  0.10000E+01 volume -0.14600E+00 ppm1      0.348 ppm2      7.449
 OR { 3724}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3724}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3724}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 3724}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 3724}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 3725}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "45  " and name "HE1 ")
      6.000     6.000     0.000 peak  3725 weight  0.10000E+01 volume -0.98000E-01 ppm1      0.334 ppm2      7.554
 OR { 3725}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 3725}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 3725}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 3725}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 3725}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 6104}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "45  " and name "HZ  ")
      6.000     6.000     0.000 peak  6104 weight  0.10000E+01 volume -0.14100E+00 ppm1      0.338 ppm2      7.438
 OR { 6104}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 6104}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "45  " and name "HZ  ")
 ASSI { 3709}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "61  " and name "HB  ")
      3.300     3.300     0.000 peak  3709 weight  0.10000E+01 volume -0.23410E+01 ppm1      0.334 ppm2      1.125
 OR { 3709}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "61  " and name "HB  ")
 OR { 3709}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "61  " and name "HB  ")
 ASSI { 3723}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "62  " and name "HA  ")
      6.000     6.000     0.000 peak  3723 weight  0.10000E+01 volume -0.20300E+00 ppm1      0.334 ppm2      4.551
 OR { 3723}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 3723}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "62  " and name "HA  ")
 ASSI { 3719}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  3719 weight  0.10000E+01 volume -0.69200E+00 ppm1      0.348 ppm2      3.971
 OR { 3719}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 3719}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 3717}
     (segid "    " and resid "61  " and name "HG22")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak  3717 weight  0.10000E+01 volume -0.94100E+00 ppm1      0.348 ppm2      3.707
 OR { 3717}
     (segid "    " and resid "61  " and name "HG23")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 3717}
     (segid "    " and resid "61  " and name "HG21")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 3759}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG11")
      5.000     5.000     0.000 peak  3759 weight  0.10000E+01 volume -0.58300E+00 ppm1      3.931 ppm2      0.572
 OR { 3759}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG12")
 OR { 3759}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG13")
 ASSI { 3766}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG21")
      6.000     6.000     0.000 peak  3766 weight  0.10000E+01 volume -0.10200E+00 ppm1      3.931 ppm2      0.361
 OR { 3766}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG23")
 OR { 3766}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG22")
 ASSI { 3764}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "62  " and name "HA  ")
      6.000     6.000     0.000 peak  3764 weight  0.10000E+01 volume -0.11400E+00 ppm1      3.931 ppm2      4.551
 ASSI { 6158}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HD1 ")
      5.000     5.000     0.000 peak  6158 weight  0.10000E+01 volume -0.48800E+00 ppm1      3.935 ppm2      1.724
 OR { 6158}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HD2 ")
 ASSI { 6154}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HG1 ")
      5.000     5.000     0.000 peak  6154 weight  0.10000E+01 volume -0.93600E+00 ppm1      3.935 ppm2      1.531
 ASSI { 3781}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HE1 ")
      5.000     5.000     0.000 peak  3781 weight  0.10000E+01 volume -0.40100E+00 ppm1      1.547 ppm2      2.996
 OR { 3781}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HE2 ")
 ASSI { 3788}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HE1 ")
      5.000     5.000     0.000 peak  3788 weight  0.10000E+01 volume -0.39900E+00 ppm1      1.428 ppm2      2.996
 OR { 3788}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HE2 ")
 ASSI { 3785}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HG1 ")
      5.000     5.000     0.000 peak  3785 weight  0.10000E+01 volume -0.31900E+00 ppm1      1.533 ppm2      2.153
 OR { 3785}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HG2 ")
 ASSI { 3789}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HG2 ")
      5.000     5.000     0.000 peak  3789 weight  0.10000E+01 volume -0.36000E+00 ppm1      1.428 ppm2      2.153
 OR { 3789}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 3801}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HE1 ")
      5.000     5.000     0.000 peak  3801 weight  0.10000E+01 volume -0.45600E+00 ppm1      3.141 ppm2      7.265
 OR { 3801}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HE2 ")
 ASSI { 6185}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HZ  ")
      5.000     5.000     0.000 peak  6185 weight  0.10000E+01 volume -0.50900E+00 ppm1      3.152 ppm2      7.245
 ASSI { 3798}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HB1 ")
      5.000     5.000     0.000 peak  3798 weight  0.10000E+01 volume -0.13280E+01 ppm1      3.154 ppm2      2.469
 ASSI { 3800}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HB2 ")
      5.000     5.000     0.000 peak  3800 weight  0.10000E+01 volume -0.10340E+01 ppm1      3.154 ppm2      2.363
 ASSI { 3797}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HG2 ")
      5.000     5.000     0.000 peak  3797 weight  0.10000E+01 volume -0.18490E+01 ppm1      3.154 ppm2      2.153
 OR { 3797}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 3808}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "4   " and name "HE2 ")
      5.000     5.000     0.000 peak  3808 weight  0.10000E+01 volume -0.38900E+00 ppm1      2.482 ppm2      7.265
 OR { 3808}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "4   " and name "HE1 ")
 ASSI { 3817}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HE1 ")
      5.000     5.000     0.000 peak  3817 weight  0.10000E+01 volume -0.40700E+00 ppm1      2.126 ppm2      7.265
 OR { 3817}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 3817}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 3817}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE2 ")
 ASSI { 6201}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HZ  ")
      5.000     5.000     0.000 peak  6201 weight  0.10000E+01 volume -0.39400E+00 ppm1      2.144 ppm2      7.246
 OR { 6201}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 3816}
     (segid "    " and resid "65  " and name "HA  ")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  3816 weight  0.10000E+01 volume -0.67200E+00 ppm1      4.603 ppm2      3.971
 ASSI { 3818}
     (segid "    " and resid "65  " and name "HA  ")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak  3818 weight  0.10000E+01 volume -0.45300E+00 ppm1      4.603 ppm2      3.681
 ASSI { 3826}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE1 ")
      5.000     5.000     0.000 peak  3826 weight  0.10000E+01 volume -0.71200E+00 ppm1      3.971 ppm2      7.554
 OR { 3826}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 3831}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "65  " and name "HB1 ")
      2.700     2.700     0.000 peak  3831 weight  0.10000E+01 volume -0.41140E+01 ppm1      3.694 ppm2      3.971
 ASSI { 3846}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD1 ")
      6.000     6.000     0.000 peak  3846 weight  0.10000E+01 volume -0.23300E+00 ppm1      5.328 ppm2      7.054
 OR { 3846}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 3843}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HB  ")
      5.000     5.000     0.000 peak  3843 weight  0.10000E+01 volume -0.78200E+00 ppm1      5.341 ppm2      4.129
 ASSI { 3845}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD12")
      6.000     6.000     0.000 peak  3845 weight  0.10000E+01 volume -0.22900E+00 ppm1      5.328 ppm2      0.703
 OR { 3845}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 3845}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
 ASSI { 3859}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG11")
      5.000     5.000     0.000 peak  3859 weight  0.10000E+01 volume -0.54500E+00 ppm1      1.863 ppm2      1.494
 ASSI { 3861}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG12")
      5.000     5.000     0.000 peak  3861 weight  0.10000E+01 volume -0.54400E+00 ppm1      1.863 ppm2      1.178
 ASSI { 3926}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "5   " and name "HA  ")
      6.000     6.000     0.000 peak  3926 weight  0.10000E+01 volume -0.88000E-01 ppm1      0.690 ppm2      5.446
 OR { 3926}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 3926}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 3929}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "26  " and name "HD2 ")
      6.000     6.000     0.000 peak  3929 weight  0.10000E+01 volume -0.68000E-01 ppm1      0.703 ppm2      7.080
 OR { 3929}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3929}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 3929}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 3929}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 3929}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "26  " and name "HD1 ")
 ASSI { 3924}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  3924 weight  0.10000E+01 volume -0.80000E-01 ppm1      0.690 ppm2      5.209
 OR { 3924}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 3924}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 3906}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HG23")
      3.300     3.300     0.000 peak  3906 weight  0.10000E+01 volume -0.21510E+01 ppm1      0.703 ppm2      0.334
 OR { 3906}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HG21")
 OR { 3906}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HG22")
 OR { 3906}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HG21")
 OR { 3906}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HG21")
 OR { 3906}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HG23")
 OR { 3906}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HG23")
 OR { 3906}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HG22")
 OR { 3906}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HG22")
 ASSI { 3915}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  3915 weight  0.10000E+01 volume -0.30300E+00 ppm1      0.703 ppm2      3.971
 OR { 3915}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 3915}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 3910}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG11")
      5.000     5.000     0.000 peak  3910 weight  0.10000E+01 volume -0.10130E+01 ppm1      0.690 ppm2      1.494
 OR { 3910}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG11")
 OR { 3910}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG11")
 ASSI { 3908}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG12")
      5.000     5.000     0.000 peak  3908 weight  0.10000E+01 volume -0.11510E+01 ppm1      0.690 ppm2      1.178
 OR { 3908}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG12")
 OR { 3908}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG12")
 ASSI { 3905}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG23")
      5.000     5.000     0.000 peak  3905 weight  0.10000E+01 volume -0.17540E+01 ppm1      0.703 ppm2      0.967
 OR { 3905}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3905}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG23")
 OR { 3905}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3905}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3905}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3905}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3905}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG23")
 OR { 3905}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 3871}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "26  " and name "HZ  ")
      6.000     6.000     0.000 peak  3871 weight  0.10000E+01 volume -0.91000E-01 ppm1      1.507 ppm2      6.817
 ASSI { 3884}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  3884 weight  0.10000E+01 volume -0.12800E+00 ppm1      1.191 ppm2      7.449
 OR { 3884}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 3880}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "50  " and name "HD11")
      6.000     6.000     0.000 peak  3880 weight  0.10000E+01 volume -0.23800E+00 ppm1      1.191 ppm2      0.572
 OR { 3880}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "50  " and name "HD12")
 OR { 3880}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 3870}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "61  " and name "HD13")
      6.000     6.000     0.000 peak  3870 weight  0.10000E+01 volume -0.20200E+00 ppm1      1.494 ppm2      0.387
 OR { 3870}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3870}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 3875}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "67  " and name "HG11")
      3.300     3.300     0.000 peak  3875 weight  0.10000E+01 volume -0.23180E+01 ppm1      1.178 ppm2      1.494
 ASSI { 3856}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HG22")
      5.000     5.000     0.000 peak  3856 weight  0.10000E+01 volume -0.66700E+00 ppm1      1.494 ppm2      0.967
 OR { 3856}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HG21")
 OR { 3856}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 3876}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "67  " and name "HG23")
      5.000     5.000     0.000 peak  3876 weight  0.10000E+01 volume -0.96300E+00 ppm1      1.191 ppm2      0.967
 OR { 3876}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "67  " and name "HG22")
 OR { 3876}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "67  " and name "HG21")
 ASSI { 3902}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "30  " and name "HD11")
      6.000     6.000     0.000 peak  3902 weight  0.10000E+01 volume -0.75000E-01 ppm1      0.980 ppm2      0.045
 OR { 3902}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3902}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3902}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3902}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "30  " and name "HD11")
 OR { 3902}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "30  " and name "HD11")
 OR { 3902}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3902}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3902}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 3896}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  3896 weight  0.10000E+01 volume -0.33200E+00 ppm1      0.980 ppm2      2.943
 OR { 3896}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 3896}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 3900}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  3900 weight  0.10000E+01 volume -0.13800E+00 ppm1      0.980 ppm2      2.811
 OR { 3900}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 3900}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 3903}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  3903 weight  0.10000E+01 volume -0.86000E-01 ppm1      0.980 ppm2      7.449
 OR { 3903}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 3903}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3903}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 3903}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 3903}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 3897}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "61  " and name "HD11")
      6.000     6.000     0.000 peak  3897 weight  0.10000E+01 volume -0.23300E+00 ppm1      0.980 ppm2      0.387
 OR { 3897}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3897}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3897}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3897}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "61  " and name "HD12")
 OR { 3897}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "61  " and name "HD12")
 OR { 3897}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "61  " and name "HD11")
 OR { 3897}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "61  " and name "HD13")
 OR { 3897}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 3882}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "67  " and name "HB  ")
      3.300     3.300     0.000 peak  3882 weight  0.10000E+01 volume -0.23550E+01 ppm1      0.980 ppm2      1.863
 OR { 3882}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 3882}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 3919}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "68  " and name "HB1 ")
      3.300     3.300     0.000 peak  3919 weight  0.10000E+01 volume -0.21020E+01 ppm1      4.999 ppm2      3.075
 OR { 3919}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 3937}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "68  " and name "HD2 ")
      6.000     6.000     0.000 peak  3937 weight  0.10000E+01 volume -0.14600E+00 ppm1      4.999 ppm2      7.054
 ASSI { 3944}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "68  " and name "HB2 ")
      5.000     5.000     0.000 peak  3944 weight  0.10000E+01 volume -0.30100E+00 ppm1      7.067 ppm2      3.101
 OR { 3944}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 3960}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB1 ")
      5.000     5.000     0.000 peak  3960 weight  0.10000E+01 volume -0.10500E+01 ppm1      5.078 ppm2      1.836
 ASSI { 3959}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak  3959 weight  0.10000E+01 volume -0.14450E+01 ppm1      5.078 ppm2      1.257
 ASSI { 3958}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
      3.300     3.300     0.000 peak  3958 weight  0.10000E+01 volume -0.21220E+01 ppm1      5.078 ppm2      0.835
 OR { 3958}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 3958}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD11")
 ASSI { 3962}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HG  ")
      5.000     5.000     0.000 peak  3962 weight  0.10000E+01 volume -0.64800E+00 ppm1      5.078 ppm2      1.415
 ASSI { 3965}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HB1 ")
      3.300     3.300     0.000 peak  3965 weight  0.10000E+01 volume -0.29690E+01 ppm1      1.257 ppm2      1.836
 ASSI { 3966}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD21")
      5.000     5.000     0.000 peak  3966 weight  0.10000E+01 volume -0.14820E+01 ppm1      1.836 ppm2      0.782
 OR { 3966}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 3966}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD22")
 ASSI { 3970}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD21")
      5.000     5.000     0.000 peak  3970 weight  0.10000E+01 volume -0.17490E+01 ppm1      1.257 ppm2      0.782
 OR { 3970}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 3970}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD23")
 ASSI { 3967}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HG  ")
      5.000     5.000     0.000 peak  3967 weight  0.10000E+01 volume -0.10710E+01 ppm1      1.836 ppm2      1.415
 ASSI { 3971}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HG  ")
      5.000     5.000     0.000 peak  3971 weight  0.10000E+01 volume -0.12210E+01 ppm1      1.257 ppm2      1.415
 ASSI { 3986}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "30  " and name "HG23")
      5.000     5.000     0.000 peak  3986 weight  0.10000E+01 volume -0.75300E+00 ppm1      0.848 ppm2      0.519
 OR { 3986}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3986}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3986}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3986}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3986}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3986}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3986}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3986}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 3985}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
      5.000     5.000     0.000 peak  3985 weight  0.10000E+01 volume -0.11520E+01 ppm1      0.848 ppm2      4.103
 OR { 3985}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 3985}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 3989}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  3989 weight  0.10000E+01 volume -0.47400E+00 ppm1      0.848 ppm2      2.495
 OR { 3989}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 3989}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HG1 ")
 ASSI { 3987}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  3987 weight  0.10000E+01 volume -0.12380E+01 ppm1      0.848 ppm2      1.599
 OR { 3987}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 3987}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HG2 ")
 ASSI { 3983}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "69  " and name "HB1 ")
      5.000     5.000     0.000 peak  3983 weight  0.10000E+01 volume -0.14490E+01 ppm1      0.848 ppm2      1.810
 OR { 3983}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 3983}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 3984}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak  3984 weight  0.10000E+01 volume -0.12080E+01 ppm1      0.848 ppm2      1.257
 OR { 3984}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 3984}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 3981}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "69  " and name "HG  ")
      3.300     3.300     0.000 peak  3981 weight  0.10000E+01 volume -0.20100E+01 ppm1      0.848 ppm2      1.415
 OR { 3981}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 3981}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "69  " and name "HG  ")
 ASSI { 4000}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "7   " and name "HG23")
      5.000     5.000     0.000 peak  4000 weight  0.10000E+01 volume -0.83100E+00 ppm1      0.796 ppm2      1.151
 OR { 4000}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "7   " and name "HG23")
 OR { 4000}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "7   " and name "HG22")
 OR { 4000}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "7   " and name "HG23")
 OR { 4000}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "7   " and name "HG22")
 OR { 4000}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "7   " and name "HG21")
 OR { 4000}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "7   " and name "HG21")
 OR { 4000}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "7   " and name "HG21")
 OR { 4000}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "7   " and name "HG22")
 ASSI { 3998}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "30  " and name "HG22")
      5.000     5.000     0.000 peak  3998 weight  0.10000E+01 volume -0.86000E+00 ppm1      0.796 ppm2      0.519
 OR { 3998}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3998}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3998}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3998}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3998}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3998}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3998}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3998}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "30  " and name "HG23")
 ASSI { 3997}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "69  " and name "HG  ")
      5.000     5.000     0.000 peak  3997 weight  0.10000E+01 volume -0.19140E+01 ppm1      0.796 ppm2      1.415
 OR { 3997}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 3997}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "69  " and name "HG  ")
 ASSI { 4016}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HG  ")
      6.000     6.000     0.000 peak  4016 weight  0.10000E+01 volume -0.15500E+00 ppm1      4.392 ppm2      1.836
 ASSI { 4014}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "69  " and name "HG  ")
      6.000     6.000     0.000 peak  4014 weight  0.10000E+01 volume -0.20800E+00 ppm1      4.379 ppm2      1.415
 ASSI { 4012}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG23")
      5.000     5.000     0.000 peak  4012 weight  0.10000E+01 volume -0.15640E+01 ppm1      4.379 ppm2      0.809
 OR { 4012}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 4012}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG22")
 ASSI { 4011}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG21")
      5.000     5.000     0.000 peak  4011 weight  0.10000E+01 volume -0.11820E+01 ppm1      2.074 ppm2      0.809
 OR { 4011}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 4011}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG23")
 ASSI { 4037}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
      5.000     5.000     0.000 peak  4037 weight  0.10000E+01 volume -0.91400E+00 ppm1      0.809 ppm2      3.075
 OR { 4037}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 4037}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 4037}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 4037}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 4037}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 4051}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  4051 weight  0.10000E+01 volume -0.11600E+00 ppm1      0.809 ppm2      5.078
 OR { 4051}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 4051}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 4068}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HA  ")
      5.000     5.000     0.000 peak  4068 weight  0.10000E+01 volume -0.15030E+01 ppm1      1.599 ppm2      4.761
 OR { 4068}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HA  ")
 ASSI { 4074}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB1 ")
      5.000     5.000     0.000 peak  4074 weight  0.10000E+01 volume -0.11170E+01 ppm1      4.221 ppm2      1.731
 ASSI { 6362}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG2 ")
      3.300     3.300     0.000 peak  6362 weight  0.10000E+01 volume -0.25810E+01 ppm1      4.216 ppm2      1.486
 OR { 6362}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG1 ")
 ASSI { 3174}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HB1 ")
      2.700     2.700     0.000 peak  3174 weight  0.10000E+01 volume -0.42790E+01 ppm1      1.507 ppm2      1.731
 ASSI { 4098}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB1 ")
      5.000     5.000     0.000 peak  4098 weight  0.10000E+01 volume -0.11870E+01 ppm1      4.379 ppm2      1.626
 ASSI { 4097}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB2 ")
      5.000     5.000     0.000 peak  4097 weight  0.10000E+01 volume -0.14120E+01 ppm1      4.379 ppm2      1.573
 ASSI { 4096}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD21")
      5.000     5.000     0.000 peak  4096 weight  0.10000E+01 volume -0.12270E+01 ppm1      4.379 ppm2      0.861
 OR { 4096}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 4096}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD23")
 ASSI { 4100}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HB2 ")
      2.700     2.700     0.000 peak  4100 weight  0.10000E+01 volume -0.99130E+01 ppm1      1.652 ppm2      1.573
 ASSI { 4112}
     (segid "    " and resid "74  " and name "HA  ")
     (segid "    " and resid "74  " and name "HB1 ")
      5.000     5.000     0.000 peak  4112 weight  0.10000E+01 volume -0.69800E+00 ppm1      4.300 ppm2      1.863
 ASSI { 3493}
     (segid "    " and resid "76  " and name "HA2 ")
     (segid "    " and resid "76  " and name "HA1 ")
      2.700     2.700     0.000 peak  3493 weight  0.10000E+01 volume -0.20255E+02 ppm1      3.721 ppm2      3.813
 ASSI { 6192}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "64  " and name "HB2 ")
      5.000     5.000     0.000 peak  6192 weight  0.10000E+01 volume  0.62900E+00 ppm1      7.269 ppm2      2.357
 OR { 6192}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 5213}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HE2 ")
      2.700     2.700     0.000 peak  5213 weight  0.10000E+01 volume  0.12012E+02 ppm1      7.080 ppm2      6.891
 OR { 5213}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 5213}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HE1 ")
 OR { 5213}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HE2 ")
 ASSI { 5802}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD13")
      5.000     5.000     0.000 peak  5802 weight  0.10000E+01 volume  0.39500E+00 ppm1      7.076 ppm2      0.570
 OR { 5802}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 5802}
     (segid "    " and resid "26  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD11")
 OR { 5802}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 5802}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 5802}
     (segid "    " and resid "26  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 4634}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "5   " and name "HD22")
      5.000     5.000     0.000 peak  4634 weight  0.10000E+01 volume  0.72200E+00 ppm1      6.889 ppm2      0.683
 OR { 4634}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "5   " and name "HD23")
 OR { 4634}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "5   " and name "HD21")
 OR { 4634}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "5   " and name "HD22")
 OR { 4634}
     (segid "    " and resid "26  " and name "HE1 ")
     (segid "    " and resid "5   " and name "HD21")
 OR { 4634}
     (segid "    " and resid "26  " and name "HE2 ")
     (segid "    " and resid "5   " and name "HD23")
 ASSI { 4635}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "5   " and name "HD23")
      5.000     5.000     0.000 peak  4635 weight  0.10000E+01 volume  0.32700E+00 ppm1      6.811 ppm2      0.683
 OR { 4635}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "5   " and name "HD22")
 OR { 4635}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "5   " and name "HD21")
 ASSI { 5344}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "30  " and name "HD12")
      5.000     5.000     0.000 peak  5344 weight  0.10000E+01 volume  0.33400E+00 ppm1      6.811 ppm2      0.044
 OR { 5344}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 5344}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 6241}
     (segid "    " and resid "26  " and name "HZ  ")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  6241 weight  0.10000E+01 volume -0.51500E+00 ppm1      6.809 ppm2      1.848
 ASSI { 5735}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HE2 ")
      2.700     2.700     0.000 peak  5735 weight  0.10000E+01 volume  0.72220E+01 ppm1      7.447 ppm2      7.551
 OR { 5735}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 5735}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 5735}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HE1 ")
 ASSI { 6208}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "65  " and name "HB1 ")
      6.000     6.000     0.000 peak  6208 weight  0.10000E+01 volume  0.26600E+00 ppm1      7.443 ppm2      3.969
 OR { 6208}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 6226}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "65  " and name "HB2 ")
      6.000     6.000     0.000 peak  6226 weight  0.10000E+01 volume  0.96000E-01 ppm1      7.447 ppm2      3.689
 OR { 6226}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 6293}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HD13")
      5.000     5.000     0.000 peak  6293 weight  0.10000E+01 volume  0.34000E+00 ppm1      7.453 ppm2      0.694
 OR { 6293}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 6293}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 6293}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 6293}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 6293}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD13")
 ASSI { 6224}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak  6224 weight  0.10000E+01 volume  0.33100E+00 ppm1      7.542 ppm2      3.689
 OR { 6224}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 6209}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  6209 weight  0.10000E+01 volume  0.31100E+00 ppm1      7.439 ppm2      3.969
 ASSI { 6225}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "65  " and name "HB2 ")
      6.000     6.000     0.000 peak  6225 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.441 ppm2      3.689
 ASSI { 5801}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD13")
      5.000     5.000     0.000 peak  5801 weight  0.10000E+01 volume  0.30000E+00 ppm1      7.271 ppm2      0.570
 OR { 5801}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 5801}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 5801}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD11")
 OR { 5801}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD11")
 OR { 5801}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 5886}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB1 ")
      5.000     5.000     0.000 peak  5886 weight  0.10000E+01 volume  0.50700E+00 ppm1      7.269 ppm2      2.372
 OR { 5886}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 5886}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 5886}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 5967}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD21")
      5.000     5.000     0.000 peak  5967 weight  0.10000E+01 volume  0.73100E+00 ppm1      7.268 ppm2      0.304
 OR { 5967}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 5967}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 5967}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 5967}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 5967}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 6011}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HA  ")
      3.300     3.300     0.000 peak  6011 weight  0.10000E+01 volume -0.21390E+01 ppm1      7.262 ppm2      4.512
 OR { 6011}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HA  ")
 ASSI { 6018}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HB1 ")
      3.300     3.300     0.000 peak  6018 weight  0.10000E+01 volume -0.21820E+01 ppm1      7.268 ppm2      3.503
 OR { 6018}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 6028}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HB2 ")
      3.300     3.300     0.000 peak  6028 weight  0.10000E+01 volume -0.24060E+01 ppm1      7.264 ppm2      2.627
 OR { 6028}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 6061}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      2.700     2.700     0.000 peak  6061 weight  0.10000E+01 volume  0.71810E+01 ppm1      7.270 ppm2      6.864
 OR { 6061}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 6061}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 6061}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 5109}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG22")
      3.300     3.300     0.000 peak  5109 weight  0.10000E+01 volume  0.25610E+01 ppm1      6.862 ppm2      1.052
 OR { 5109}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 5109}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 5109}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 5109}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 5109}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG21")
 ASSI { 5896}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HD1 ")
      5.000     5.000     0.000 peak  5896 weight  0.10000E+01 volume -0.60100E+00 ppm1      6.861 ppm2      3.192
 OR { 5896}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 5896}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 5896}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HD2 ")
 ASSI { 6002}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "58  " and name "HB2 ")
      5.000     5.000     0.000 peak  6002 weight  0.10000E+01 volume -0.33300E+00 ppm1      6.858 ppm2      3.013
 OR { 6002}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "58  " and name "HB2 ")
 ASSI { 4444}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HB2 ")
      3.300     3.300     0.000 peak  4444 weight  0.10000E+01 volume  0.20990E+01 ppm1      4.177 ppm2      2.018
 ASSI { 4483}
     (segid "    " and resid "1   " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE1 ")
      6.000     6.000     0.000 peak  4483 weight  0.10000E+01 volume -0.28600E+00 ppm1      2.016 ppm2      1.519
 OR { 4483}
     (segid "    " and resid "1   " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 4483}
     (segid "    " and resid "1   " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 6218}
     (segid "    " and resid "3   " and name "HG21")
     (segid "    " and resid "65  " and name "HB2 ")
      6.000     6.000     0.000 peak  6218 weight  0.10000E+01 volume  0.82000E-01 ppm1      0.584 ppm2      3.689
 OR { 6218}
     (segid "    " and resid "3   " and name "HG22")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 6218}
     (segid "    " and resid "3   " and name "HG23")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 4765}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HB1 ")
      5.000     5.000     0.000 peak  4765 weight  0.10000E+01 volume -0.71800E+00 ppm1      1.164 ppm2      1.787
 OR { 4765}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HB1 ")
 OR { 4765}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HB1 ")
 ASSI { 4776}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HD1 ")
      2.700     2.700     0.000 peak  4776 weight  0.10000E+01 volume  0.47060E+01 ppm1      1.417 ppm2      1.639
 OR { 4776}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 4774}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HG2 ")
      2.700     2.700     0.000 peak  4774 weight  0.10000E+01 volume  0.11061E+02 ppm1      1.437 ppm2      1.273
 ASSI { 4827}
     (segid "    " and resid "13  " and name "HB  ")
     (segid "    " and resid "13  " and name "HG23")
      3.300     3.300     0.000 peak  4827 weight  0.10000E+01 volume -0.24020E+01 ppm1      2.145 ppm2      0.884
 OR { 4827}
     (segid "    " and resid "13  " and name "HB  ")
     (segid "    " and resid "13  " and name "HG21")
 OR { 4827}
     (segid "    " and resid "13  " and name "HB  ")
     (segid "    " and resid "13  " and name "HG22")
 ASSI { 5393}
     (segid "    " and resid "15  " and name "HD12")
     (segid "    " and resid "33  " and name "HB2 ")
      5.000     5.000     0.000 peak  5393 weight  0.10000E+01 volume -0.76100E+00 ppm1      0.666 ppm2      1.857
 OR { 5393}
     (segid "    " and resid "15  " and name "HD11")
     (segid "    " and resid "33  " and name "HB2 ")
 OR { 5393}
     (segid "    " and resid "15  " and name "HD13")
     (segid "    " and resid "33  " and name "HB2 ")
 ASSI { 4946}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "17  " and name "HG11")
      3.300     3.300     0.000 peak  4946 weight  0.10000E+01 volume  0.21820E+01 ppm1      0.938 ppm2      0.641
 OR { 4946}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "17  " and name "HG13")
 OR { 4946}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HG13")
 OR { 4946}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HG12")
 OR { 4946}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "17  " and name "HG12")
 OR { 4946}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "17  " and name "HG11")
 OR { 4946}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG12")
 OR { 4946}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG13")
 OR { 4946}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "17  " and name "HG11")
 ASSI { 5201}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "26  " and name "HD1 ")
      5.000     5.000     0.000 peak  5201 weight  0.10000E+01 volume  0.70800E+00 ppm1      0.643 ppm2      7.077
 OR { 5201}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 5201}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 5201}
     (segid "    " and resid "17  " and name "HG11")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 5201}
     (segid "    " and resid "17  " and name "HG13")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 5201}
     (segid "    " and resid "17  " and name "HG12")
     (segid "    " and resid "26  " and name "HD2 ")
 ASSI { 4443}
     (segid "    " and resid "17  " and name "HG22")
     (segid "    " and resid "1   " and name "HB1 ")
      5.000     5.000     0.000 peak  4443 weight  0.10000E+01 volume -0.31000E+00 ppm1      0.376 ppm2      2.123
 OR { 4443}
     (segid "    " and resid "17  " and name "HG21")
     (segid "    " and resid "1   " and name "HB1 ")
 OR { 4443}
     (segid "    " and resid "17  " and name "HG23")
     (segid "    " and resid "1   " and name "HB1 ")
 ASSI { 4984}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HB1 ")
      2.700     2.700     0.000 peak  4984 weight  0.10000E+01 volume  0.51020E+01 ppm1      1.654 ppm2      2.099
 ASSI { 4983}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "18  " and name "HB1 ")
      3.300     3.300     0.000 peak  4983 weight  0.10000E+01 volume -0.23700E+01 ppm1      2.221 ppm2      2.099
 ASSI { 5974}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD22")
      6.000     6.000     0.000 peak  5974 weight  0.10000E+01 volume  0.87000E-01 ppm1      3.987 ppm2      0.304
 OR { 5974}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 5974}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD23")
 ASSI { 6000}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "57  " and name "HB1 ")
      6.000     6.000     0.000 peak  6000 weight  0.10000E+01 volume  0.12300E+00 ppm1      2.013 ppm2      3.757
 ASSI { 5845}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  5845 weight  0.10000E+01 volume -0.39300E+00 ppm1      0.836 ppm2      4.592
 OR { 5845}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "51  " and name "HA  ")
 OR { 5845}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "51  " and name "HA  ")
 ASSI { 5584}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  5584 weight  0.10000E+01 volume -0.31800E+00 ppm1      2.748 ppm2      1.924
 ASSI { 6336}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "69  " and name "HD12")
      3.300     3.300     0.000 peak  6336 weight  0.10000E+01 volume  0.34860E+01 ppm1      0.045 ppm2      0.842
 OR { 6336}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6336}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "69  " and name "HD11")
 OR { 6336}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6336}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6336}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "69  " and name "HD11")
 OR { 6336}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "69  " and name "HD11")
 OR { 6336}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6336}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "69  " and name "HD12")
 ASSI { 5390}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB1 ")
      3.300     3.300     0.000 peak  5390 weight  0.10000E+01 volume  0.22510E+01 ppm1      4.311 ppm2      1.925
 ASSI { 5509}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  5509 weight  0.10000E+01 volume -0.36800E+00 ppm1      4.607 ppm2      3.551
 ASSI { 5482}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HB1 ")
      2.700     2.700     0.000 peak  5482 weight  0.10000E+01 volume  0.47740E+01 ppm1      1.952 ppm2      2.408
 ASSI { 5553}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HB2 ")
      2.700     2.700     0.000 peak  5553 weight  0.10000E+01 volume  0.40600E+01 ppm1      4.391 ppm2      2.656
 ASSI { 6359}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD11")
      5.000     5.000     0.000 peak  6359 weight  0.10000E+01 volume  0.37000E+00 ppm1      2.469 ppm2      0.976
 OR { 6359}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 6359}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD12")
 ASSI { 5593}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  5593 weight  0.10000E+01 volume -0.63800E+00 ppm1      1.932 ppm2      2.488
 ASSI { 5636}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD12")
      5.000     5.000     0.000 peak  5636 weight  0.10000E+01 volume -0.31400E+00 ppm1      5.353 ppm2      0.787
 OR { 5636}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5636}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD13")
 ASSI { 4073}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
      5.000     5.000     0.000 peak  4073 weight  0.10000E+01 volume -0.19580E+01 ppm1      5.342 ppm2      0.842
 OR { 4073}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 4073}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD11")
 ASSI { 2361}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HB2 ")
      6.000     6.000     0.000 peak  2361 weight  0.10000E+01 volume -0.25600E+00 ppm1      0.786 ppm2      1.526
 OR { 2361}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HB2 ")
 OR { 2361}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 5586}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  5586 weight  0.10000E+01 volume  0.49700E+00 ppm1      0.748 ppm2      1.924
 OR { 5586}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 5586}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "41  " and name "HB2 ")
 ASSI { 6303}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "68  " and name "HB2 ")
      3.300     3.300     0.000 peak  6303 weight  0.10000E+01 volume -0.21640E+01 ppm1      1.776 ppm2      3.092
 OR { 6303}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 5761}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HA  ")
      5.000     5.000     0.000 peak  5761 weight  0.10000E+01 volume -0.10950E+01 ppm1      0.657 ppm2      4.894
 OR { 5761}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 5761}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 5709}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HB1 ")
      2.700     2.700     0.000 peak  5709 weight  0.10000E+01 volume  0.45570E+01 ppm1      2.804 ppm2      2.943
 ASSI { 5749}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "47  " and name "HA1 ")
      2.700     2.700     0.000 peak  5749 weight  0.10000E+01 volume  0.52490E+01 ppm1      3.467 ppm2      4.115
 ASSI { 5626}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  5626 weight  0.10000E+01 volume  0.31400E+00 ppm1      1.222 ppm2      1.736
 ASSI { 5868}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HB2 ")
      2.700     2.700     0.000 peak  5868 weight  0.10000E+01 volume  0.70980E+01 ppm1      2.672 ppm2      2.496
 ASSI { 5081}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "22  " and name "HB  ")
      5.000     5.000     0.000 peak  5081 weight  0.10000E+01 volume  0.38000E+00 ppm1      5.240 ppm2      4.823
 ASSI { 5905}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "55  " and name "HG22")
      3.300     3.300     0.000 peak  5905 weight  0.10000E+01 volume  0.21950E+01 ppm1      5.231 ppm2      1.153
 OR { 5905}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "55  " and name "HG23")
 OR { 5905}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "55  " and name "HG21")
 ASSI { 5829}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD23")
      5.000     5.000     0.000 peak  5829 weight  0.10000E+01 volume -0.91000E+00 ppm1      4.050 ppm2      0.149
 OR { 5829}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5829}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD22")
 ASSI { 5210}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "26  " and name "HD1 ")
      6.000     6.000     0.000 peak  5210 weight  0.10000E+01 volume  0.19800E+00 ppm1      0.410 ppm2      7.077
 OR { 5210}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "26  " and name "HD1 ")
 OR { 5210}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 5210}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 5210}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "26  " and name "HD2 ")
 OR { 5210}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "26  " and name "HD1 ")
 ASSI { 6004}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "58  " and name "HB2 ")
      2.700     2.700     0.000 peak  6004 weight  0.10000E+01 volume  0.43490E+01 ppm1      2.310 ppm2      3.013
 ASSI { 5714}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak  5714 weight  0.10000E+01 volume -0.35600E+00 ppm1      0.385 ppm2      2.807
 OR { 5714}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5714}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 4446}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HB2 ")
      5.000     5.000     0.000 peak  4446 weight  0.10000E+01 volume  0.16560E+01 ppm1      3.931 ppm2      2.018
 ASSI { 6170}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HG2 ")
      5.000     5.000     0.000 peak  6170 weight  0.10000E+01 volume -0.53900E+00 ppm1      3.932 ppm2      1.418
 ASSI { 6176}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HG2 ")
      3.300     3.300     0.000 peak  6176 weight  0.10000E+01 volume  0.39120E+01 ppm1      1.719 ppm2      1.418
 OR { 6176}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "63  " and name "HG2 ")
 ASSI { 6169}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HG1 ")
      2.700     2.700     0.000 peak  6169 weight  0.10000E+01 volume  0.20414E+02 ppm1      1.415 ppm2      1.532
 ASSI { 6190}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HB1 ")
      2.700     2.700     0.000 peak  6190 weight  0.10000E+01 volume  0.45500E+01 ppm1      2.345 ppm2      2.477
 ASSI { 6198}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HG1 ")
      3.300     3.300     0.000 peak  6198 weight  0.10000E+01 volume -0.23820E+01 ppm1      2.356 ppm2      2.144
 OR { 6198}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HG2 ")
 ASSI { 6191}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HB1 ")
      3.300     3.300     0.000 peak  6191 weight  0.10000E+01 volume -0.28950E+01 ppm1      2.133 ppm2      2.477
 OR { 6191}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 6219}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak  6219 weight  0.10000E+01 volume  0.32400E+00 ppm1      0.698 ppm2      3.689
 OR { 6219}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 6219}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 5707}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  5707 weight  0.10000E+01 volume -0.31200E+00 ppm1      1.180 ppm2      2.943
 ASSI { 6337}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD21")
      5.000     5.000     0.000 peak  6337 weight  0.10000E+01 volume -0.32900E+00 ppm1      5.070 ppm2      0.785
 OR { 6337}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 6337}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD23")
 ASSI { 5603}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak  5603 weight  0.10000E+01 volume  0.72000E+00 ppm1      0.804 ppm2      1.515
 OR { 5603}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 5603}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "42  " and name "HB2 ")
 ASSI { 4727}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD11")
      3.300     3.300     0.000 peak  4727 weight  0.10000E+01 volume -0.20000E+01 ppm1      1.593 ppm2      1.019
 OR { 4727}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 4727}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 4727}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 4727}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 4727}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD13")

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   2H    MET   1          2H        MET   1 -13.173  -2.992   3.344
    2   3H    MET   1          3H        MET   1 -14.301  -1.900   2.713
    3   1H    MET   1          1H        MET   1 -12.646  -1.551   2.633
    4    HA   MET   1           HA       MET   1 -14.076  -3.715   1.205
    5   1HB   MET   1          2HB       MET   1 -13.478  -2.499  -0.811
    6   2HB   MET   1          1HB       MET   1 -14.376  -1.446   0.273
    7   1HG   MET   1          2HG       MET   1 -11.974  -0.750   1.066
    8   2HG   MET   1          1HG       MET   1 -11.515  -1.357  -0.524
    9   1HE   MET   1          1HE       MET   1 -11.286   1.579  -2.193
   10   2HE   MET   1          2HE       MET   1 -10.486   0.585  -0.975
   11   3HE   MET   1          3HE       MET   1 -11.076   2.192  -0.552
   12    H    GLN   2           H        GLN   2 -12.802  -5.091  -0.073
   13    HA   GLN   2           HA       GLN   2 -10.054  -5.362   0.903
   14   1HB   GLN   2          2HB       GLN   2 -10.262  -7.637  -0.292
   15   2HB   GLN   2          1HB       GLN   2 -11.162  -7.393   1.198
   16   1HG   GLN   2          2HG       GLN   2 -13.198  -7.153   0.055
   17   2HG   GLN   2          1HG       GLN   2 -12.392  -6.949  -1.500
   18   1HE2  GLN   2          1HE2      GLN   2 -14.289  -8.979   0.008
   19   2HE2  GLN   2          2HE2      GLN   2 -13.704 -10.499  -0.567
   20    H    VAL   3           H        VAL   3  -8.316  -5.193  -0.365
   21    HA   VAL   3           HA       VAL   3  -8.758  -4.662  -3.234
   22    HB   VAL   3           HB       VAL   3  -6.668  -3.270  -3.122
   23   1HG1  VAL   3          1HG1      VAL   3  -9.004  -2.371  -1.438
   24   2HG1  VAL   3          2HG1      VAL   3  -8.873  -2.247  -3.192
   25   3HG1  VAL   3          3HG1      VAL   3  -7.790  -1.313  -2.159
   26   1HG2  VAL   3          1HG2      VAL   3  -6.113  -2.383  -0.829
   27   2HG2  VAL   3          2HG2      VAL   3  -5.635  -4.053  -1.134
   28   3HG2  VAL   3          3HG2      VAL   3  -7.070  -3.709  -0.170
   29    H    PHE   4           H        PHE   4  -6.846  -5.110  -4.619
   30    HA   PHE   4           HA       PHE   4  -5.452  -7.526  -3.675
   31   1HB   PHE   4          2HB       PHE   4  -5.799  -6.830  -6.576
   32   2HB   PHE   4          1HB       PHE   4  -5.530  -8.407  -5.841
   33    HD1  PHE   4           HD1      PHE   4  -7.587  -8.482  -3.759
   34    HD2  PHE   4           HD2      PHE   4  -7.778  -7.019  -7.761
   35    HE1  PHE   4           HE1      PHE   4 -10.013  -8.915  -3.796
   36    HE2  PHE   4           HE2      PHE   4 -10.206  -7.448  -7.805
   37    HZ   PHE   4           HZ       PHE   4 -11.325  -8.396  -5.821
   38    H    LEU   5           H        LEU   5  -3.309  -7.411  -3.444
   39    HA   LEU   5           HA       LEU   5  -1.904  -5.135  -4.659
   40   1HB   LEU   5          2HB       LEU   5  -1.965  -5.744  -2.078
   41   2HB   LEU   5          1HB       LEU   5  -0.671  -6.831  -2.543
   42    HG   LEU   5           HG       LEU   5   0.160  -4.504  -3.694
   43   1HD1  LEU   5          1HD1      LEU   5  -0.107  -2.740  -2.025
   44   2HD1  LEU   5          2HD1      LEU   5  -1.184  -3.782  -1.095
   45   3HD1  LEU   5          3HD1      LEU   5  -1.661  -3.229  -2.700
   46   1HD2  LEU   5          1HD2      LEU   5   0.889  -6.195  -1.519
   47   2HD2  LEU   5          2HD2      LEU   5   1.167  -4.516  -1.056
   48   3HD2  LEU   5          3HD2      LEU   5   1.917  -5.164  -2.515
   49    H    LYS   6           H        LYS   6  -0.320  -5.450  -6.111
   50    HA   LYS   6           HA       LYS   6   0.379  -8.231  -6.756
   51   1HB   LYS   6          2HB       LYS   6  -0.396  -6.031  -8.369
   52   2HB   LYS   6          1HB       LYS   6   1.284  -6.386  -8.749
   53   1HG   LYS   6          2HG       LYS   6   0.764  -8.281  -9.811
   54   2HG   LYS   6          1HG       LYS   6  -0.403  -8.762  -8.578
   55   1HD   LYS   6          2HD       LYS   6  -1.533  -6.553  -9.885
   56   2HD   LYS   6          1HD       LYS   6  -0.861  -7.577 -11.156
   57   1HE   LYS   6          2HE       LYS   6  -2.369  -9.208 -10.812
   58   2HE   LYS   6          1HE       LYS   6  -2.311  -9.027  -9.059
   59   1HZ   LYS   6          1HZ       LYS   6  -3.585  -6.868 -10.534
   60   2HZ   LYS   6          2HZ       LYS   6  -4.021  -7.580  -9.063
   61   3HZ   LYS   6          3HZ       LYS   6  -4.411  -8.345 -10.520
   62    H    THR   7           H        THR   7   2.470  -8.911  -6.809
   63    HA   THR   7           HA       THR   7   4.461  -7.049  -5.716
   64    HB   THR   7           HB       THR   7   5.619  -8.862  -4.812
   65    HG1  THR   7           HG1      THR   7   4.585 -11.082  -5.635
   66   1HG2  THR   7          1HG2      THR   7   2.661  -9.381  -4.736
   67   2HG2  THR   7          2HG2      THR   7   3.693  -8.676  -3.492
   68   3HG2  THR   7          3HG2      THR   7   3.796 -10.400  -3.850
   69    H    LEU   8           H        LEU   8   6.807  -7.927  -6.411
   70    HA   LEU   8           HA       LEU   8   7.018  -7.285  -9.183
   71   1HB   LEU   8          2HB       LEU   8   9.214  -8.398  -7.452
   72   2HB   LEU   8          1HB       LEU   8   9.372  -7.380  -8.871
   73    HG   LEU   8           HG       LEU   8   7.964  -6.344  -6.438
   74   1HD1  LEU   8          1HD1      LEU   8  10.820  -6.964  -6.706
   75   2HD1  LEU   8          2HD1      LEU   8   9.842  -6.698  -5.262
   76   3HD1  LEU   8          3HD1      LEU   8  10.458  -5.321  -6.176
   77   1HD2  LEU   8          1HD2      LEU   8   9.610  -4.459  -7.765
   78   2HD2  LEU   8          2HD2      LEU   8   7.850  -4.514  -7.683
   79   3HD2  LEU   8          3HD2      LEU   8   8.698  -5.337  -8.992
   80    H    THR   9           H        THR   9   6.334 -10.147  -7.600
   81    HA   THR   9           HA       THR   9   7.588 -11.826  -9.649
   82    HB   THR   9           HB       THR   9   7.099 -13.722  -8.256
   83    HG1  THR   9           HG1      THR   9   6.023 -12.344  -6.131
   84   1HG2  THR   9          1HG2      THR   9   8.344 -11.343  -6.970
   85   2HG2  THR   9          2HG2      THR   9   9.068 -12.881  -7.436
   86   3HG2  THR   9          3HG2      THR   9   8.071 -12.780  -5.985
   87    H    GLY  10           H        GLY  10   4.550 -10.516  -8.710
   88   1HA   GLY  10          2HA       GLY  10   2.724 -10.471 -10.250
   89   2HA   GLY  10          1HA       GLY  10   3.278 -12.006 -10.901
   90    H    LYS  11           H        LYS  11   3.028 -11.402  -7.466
   91    HA   LYS  11           HA       LYS  11   1.002 -13.504  -7.298
   92   1HB   LYS  11          2HB       LYS  11   3.157 -13.527  -5.925
   93   2HB   LYS  11          1HB       LYS  11   2.451 -12.217  -4.989
   94   1HG   LYS  11          2HG       LYS  11   0.433 -13.972  -4.873
   95   2HG   LYS  11          1HG       LYS  11   1.789 -15.090  -5.032
   96   1HD   LYS  11          2HD       LYS  11   1.733 -12.865  -3.008
   97   2HD   LYS  11          1HD       LYS  11   1.120 -14.485  -2.669
   98   1HE   LYS  11          2HE       LYS  11   3.847 -14.258  -3.817
   99   2HE   LYS  11          1HE       LYS  11   3.627 -13.763  -2.139
  100   1HZ   LYS  11          1HZ       LYS  11   3.879 -16.351  -3.149
  101   2HZ   LYS  11          2HZ       LYS  11   2.308 -16.206  -2.542
  102   3HZ   LYS  11          3HZ       LYS  11   3.632 -15.880  -1.543
  103    H    THR  12           H        THR  12  -1.036 -13.164  -6.607
  104    HA   THR  12           HA       THR  12  -1.811 -10.387  -6.065
  105    HB   THR  12           HB       THR  12  -3.663 -12.692  -6.677
  106    HG1  THR  12           HG1      THR  12  -3.312 -12.356  -8.762
  107   1HG2  THR  12          1HG2      THR  12  -4.212  -9.825  -7.292
  108   2HG2  THR  12          2HG2      THR  12  -4.380 -10.387  -5.629
  109   3HG2  THR  12          3HG2      THR  12  -5.335 -11.130  -6.912
  110    H    VAL  13           H        VAL  13  -2.279  -9.790  -4.060
  111    HA   VAL  13           HA       VAL  13  -3.057 -11.869  -2.119
  112    HB   VAL  13           HB       VAL  13  -2.125 -10.329  -0.368
  113   1HG1  VAL  13          1HG1      VAL  13  -0.708 -12.086  -0.713
  114   2HG1  VAL  13          2HG1      VAL  13   0.341 -10.761  -1.218
  115   3HG1  VAL  13          3HG1      VAL  13  -0.502 -11.728  -2.427
  116   1HG2  VAL  13          1HG2      VAL  13  -0.410  -8.683  -1.219
  117   2HG2  VAL  13          2HG2      VAL  13  -2.098  -8.233  -1.467
  118   3HG2  VAL  13          3HG2      VAL  13  -1.148  -8.869  -2.810
  119    H    THR  14           H        THR  14  -4.651 -11.351  -0.578
  120    HA   THR  14           HA       THR  14  -6.385  -9.113  -1.384
  121    HB   THR  14           HB       THR  14  -8.145 -10.420  -0.041
  122    HG1  THR  14           HG1      THR  14  -7.518 -12.791  -0.218
  123   1HG2  THR  14          1HG2      THR  14  -8.451 -10.360  -2.357
  124   2HG2  THR  14          2HG2      THR  14  -8.414 -12.085  -1.991
  125   3HG2  THR  14          3HG2      THR  14  -6.990 -11.296  -2.669
  126    H    ILE  15           H        ILE  15  -5.870  -7.406  -0.146
  127    HA   ILE  15           HA       ILE  15  -5.627  -7.818   2.760
  128    HB   ILE  15           HB       ILE  15  -4.750  -5.326   1.330
  129   1HG1  ILE  15          2HG1      ILE  15  -2.912  -7.637   1.943
  130   2HG1  ILE  15          1HG1      ILE  15  -3.691  -7.457   0.372
  131   1HG2  ILE  15          1HG2      ILE  15  -3.126  -5.366   3.311
  132   2HG2  ILE  15          2HG2      ILE  15  -4.189  -6.601   3.985
  133   3HG2  ILE  15          3HG2      ILE  15  -4.817  -4.990   3.640
  134   1HD1  ILE  15          1HD1      ILE  15  -2.574  -4.979   0.834
  135   2HD1  ILE  15          2HD1      ILE  15  -1.929  -6.247  -0.209
  136   3HD1  ILE  15          3HD1      ILE  15  -1.375  -6.112   1.460
  137    H    GLU  16           H        GLU  16  -6.701  -6.382   4.177
  138    HA   GLU  16           HA       GLU  16  -9.112  -5.202   3.002
  139   1HB   GLU  16          2HB       GLU  16  -8.463  -5.883   5.876
  140   2HB   GLU  16          1HB       GLU  16  -9.992  -5.220   5.311
  141   1HG   GLU  16          2HG       GLU  16 -10.231  -7.244   3.860
  142   2HG   GLU  16          1HG       GLU  16  -8.817  -7.912   4.674
  143    H    VAL  17           H        VAL  17  -9.299  -3.082   2.796
  144    HA   VAL  17           HA       VAL  17  -7.906  -1.314   4.670
  145    HB   VAL  17           HB       VAL  17  -7.006   0.092   2.962
  146   1HG1  VAL  17          1HG1      VAL  17  -5.947  -2.252   3.554
  147   2HG1  VAL  17          2HG1      VAL  17  -5.240  -1.209   2.321
  148   3HG1  VAL  17          3HG1      VAL  17  -6.265  -2.563   1.848
  149   1HG2  VAL  17          1HG2      VAL  17  -8.203   0.269   1.081
  150   2HG2  VAL  17          2HG2      VAL  17  -8.894  -1.343   1.265
  151   3HG2  VAL  17          3HG2      VAL  17  -7.304  -1.143   0.528
  152    H    GLU  18           H        GLU  18  -8.670   0.971   4.461
  153    HA   GLU  18           HA       GLU  18 -11.440   1.114   3.480
  154   1HB   GLU  18          2HB       GLU  18 -10.476   2.356   6.058
  155   2HB   GLU  18          1HB       GLU  18 -12.124   2.320   5.449
  156   1HG   GLU  18          2HG       GLU  18 -12.506   0.367   6.412
  157   2HG   GLU  18          1HG       GLU  18 -11.082  -0.346   5.657
  158    HA   PRO  19           HA       PRO  19 -10.412   4.809   1.340
  159   1HB   PRO  19          2HB       PRO  19 -12.844   6.003   2.573
  160   2HB   PRO  19          1HB       PRO  19 -12.392   5.875   0.870
  161   1HG   PRO  19          2HG       PRO  19 -14.268   4.291   1.905
  162   2HG   PRO  19          1HG       PRO  19 -13.112   3.676   0.709
  163   1HD   PRO  19          2HD       PRO  19 -13.183   3.264   3.667
  164   2HD   PRO  19          1HD       PRO  19 -12.714   2.134   2.380
  165    H    SER  20           H        SER  20 -11.243   4.977   4.741
  166    HA   SER  20           HA       SER  20 -10.103   7.616   5.076
  167   1HB   SER  20          2HB       SER  20 -10.479   6.901   7.590
  168   2HB   SER  20          1HB       SER  20 -11.846   7.345   6.569
  169    HG   SER  20           HG       SER  20 -12.326   5.419   7.588
  170    H    ASP  21           H        ASP  21  -8.697   4.783   4.494
  171    HA   ASP  21           HA       ASP  21  -6.697   4.772   6.578
  172   1HB   ASP  21          2HB       ASP  21  -7.095   3.160   4.062
  173   2HB   ASP  21          1HB       ASP  21  -5.643   3.005   5.046
  174    H    THR  22           H        THR  22  -4.551   5.374   6.385
  175    HA   THR  22           HA       THR  22  -3.999   7.257   4.216
  176    HB   THR  22           HB       THR  22  -2.029   7.912   5.637
  177    HG1  THR  22           HG1      THR  22  -1.629   6.307   7.027
  178   1HG2  THR  22          1HG2      THR  22  -3.795   8.615   7.611
  179   2HG2  THR  22          2HG2      THR  22  -4.867   8.292   6.248
  180   3HG2  THR  22          3HG2      THR  22  -3.573   9.480   6.090
  181    H    VAL  23           H        VAL  23  -2.215   7.108   2.888
  182    HA   VAL  23           HA       VAL  23  -1.400   4.724   1.896
  183    HB   VAL  23           HB       VAL  23   0.259   7.239   2.094
  184   1HG1  VAL  23          1HG1      VAL  23   1.079   5.889  -0.158
  185   2HG1  VAL  23          2HG1      VAL  23   0.901   4.603   1.036
  186   3HG1  VAL  23          3HG1      VAL  23   1.955   5.977   1.371
  187   1HG2  VAL  23          1HG2      VAL  23  -0.546   6.976  -0.497
  188   2HG2  VAL  23          2HG2      VAL  23  -1.352   7.972   0.715
  189   3HG2  VAL  23          3HG2      VAL  23  -1.940   6.344   0.378
  190    H    GLU  24           H        GLU  24   0.150   6.485   4.558
  191    HA   GLU  24           HA       GLU  24   2.367   4.890   4.964
  192   1HB   GLU  24          2HB       GLU  24   0.975   6.907   6.410
  193   2HB   GLU  24          1HB       GLU  24   1.295   5.582   7.521
  194   1HG   GLU  24          2HG       GLU  24   3.701   5.695   6.581
  195   2HG   GLU  24          1HG       GLU  24   3.226   7.298   6.023
  196    H    ASN  25           H        ASN  25  -0.797   4.550   6.579
  197    HA   ASN  25           HA       ASN  25  -0.293   2.215   7.972
  198   1HB   ASN  25          2HB       ASN  25  -2.573   3.787   7.330
  199   2HB   ASN  25          1HB       ASN  25  -2.977   2.110   6.979
  200   1HD2  ASN  25          1HD2      ASN  25  -3.026   4.408   9.303
  201   2HD2  ASN  25          2HD2      ASN  25  -3.058   3.406  10.709
  202    H    PHE  26           H        PHE  26  -1.373   2.633   4.633
  203    HA   PHE  26           HA       PHE  26  -1.885  -0.015   3.970
  204   1HB   PHE  26          2HB       PHE  26  -2.251   2.099   2.566
  205   2HB   PHE  26          1HB       PHE  26  -0.567   1.933   2.082
  206    HD1  PHE  26           HD1      PHE  26  -1.732  -1.289   2.599
  207    HD2  PHE  26           HD2      PHE  26  -2.055   1.951  -0.155
  208    HE1  PHE  26           HE1      PHE  26  -2.396  -2.867   0.825
  209    HE2  PHE  26           HE2      PHE  26  -2.721   0.379  -1.932
  210    HZ   PHE  26           HZ       PHE  26  -2.893  -2.033  -1.443
  211    H    LYS  27           H        LYS  27   1.162   1.797   3.639
  212    HA   LYS  27           HA       LYS  27   2.721  -0.306   2.664
  213   1HB   LYS  27          2HB       LYS  27   3.531   2.068   4.352
  214   2HB   LYS  27          1HB       LYS  27   4.658   1.008   3.515
  215   1HG   LYS  27          2HG       LYS  27   2.952   1.745   1.508
  216   2HG   LYS  27          1HG       LYS  27   3.038   3.205   2.495
  217   1HD   LYS  27          2HD       LYS  27   5.571   2.884   2.439
  218   2HD   LYS  27          1HD       LYS  27   5.275   1.726   1.141
  219   1HE   LYS  27          2HE       LYS  27   4.606   3.339  -0.334
  220   2HE   LYS  27          1HE       LYS  27   4.005   4.403   0.937
  221   1HZ   LYS  27          1HZ       LYS  27   6.036   5.324   1.259
  222   2HZ   LYS  27          2HZ       LYS  27   6.219   4.909  -0.370
  223   3HZ   LYS  27          3HZ       LYS  27   6.884   3.923   0.832
  224    H    ALA  28           H        ALA  28   1.686   0.489   5.896
  225    HA   ALA  28           HA       ALA  28   3.533  -1.123   7.312
  226   1HB   ALA  28          1HB       ALA  28   1.917   0.718   8.174
  227   2HB   ALA  28          2HB       ALA  28   2.282  -0.664   9.206
  228   3HB   ALA  28          3HB       ALA  28   0.762  -0.608   8.315
  229    H    LYS  29           H        LYS  29   0.310  -1.725   5.989
  230    HA   LYS  29           HA       LYS  29  -0.032  -4.319   7.025
  231   1HB   LYS  29          2HB       LYS  29  -1.178  -2.918   4.613
  232   2HB   LYS  29          1HB       LYS  29  -1.623  -4.566   5.033
  233   1HG   LYS  29          2HG       LYS  29  -2.199  -3.565   7.348
  234   2HG   LYS  29          1HG       LYS  29  -2.209  -2.024   6.487
  235   1HD   LYS  29          2HD       LYS  29  -3.800  -3.104   4.841
  236   2HD   LYS  29          1HD       LYS  29  -3.935  -4.439   5.989
  237   1HE   LYS  29          2HE       LYS  29  -5.600  -3.267   6.908
  238   2HE   LYS  29          1HE       LYS  29  -4.333  -2.238   7.576
  239   1HZ   LYS  29          1HZ       LYS  29  -5.451  -0.631   6.514
  240   2HZ   LYS  29          2HZ       LYS  29  -6.224  -1.698   5.454
  241   3HZ   LYS  29          3HZ       LYS  29  -4.642  -1.188   5.136
  242    H    ILE  30           H        ILE  30   1.371  -3.134   4.003
  243    HA   ILE  30           HA       ILE  30   1.831  -5.647   2.813
  244    HB   ILE  30           HB       ILE  30   3.486  -3.157   2.401
  245   1HG1  ILE  30          2HG1      ILE  30   1.026  -3.956   0.844
  246   2HG1  ILE  30          1HG1      ILE  30   0.968  -2.835   2.201
  247   1HG2  ILE  30          1HG2      ILE  30   2.887  -4.950   0.157
  248   2HG2  ILE  30          2HG2      ILE  30   3.900  -5.652   1.419
  249   3HG2  ILE  30          3HG2      ILE  30   4.398  -4.165   0.613
  250   1HD1  ILE  30          1HD1      ILE  30   1.040  -1.545   0.223
  251   2HD1  ILE  30          2HD1      ILE  30   2.393  -2.479  -0.417
  252   3HD1  ILE  30          3HD1      ILE  30   2.631  -1.421   0.973
  253    H    GLN  31           H        GLN  31   3.782  -3.636   4.961
  254    HA   GLN  31           HA       GLN  31   6.173  -5.085   4.824
  255   1HB   GLN  31          2HB       GLN  31   5.776  -2.815   5.905
  256   2HB   GLN  31          1HB       GLN  31   5.152  -3.693   7.297
  257   1HG   GLN  31          2HG       GLN  31   7.305  -4.833   7.535
  258   2HG   GLN  31          1HG       GLN  31   7.928  -3.926   6.156
  259   1HE2  GLN  31          1HE2      GLN  31   9.485  -3.512   8.057
  260   2HE2  GLN  31          2HE2      GLN  31   9.188  -2.065   8.953
  261    H    ASP  32           H        ASP  32   3.315  -5.509   6.854
  262    HA   ASP  32           HA       ASP  32   4.417  -7.577   8.462
  263   1HB   ASP  32          2HB       ASP  32   2.201  -6.043   8.661
  264   2HB   ASP  32          1HB       ASP  32   1.485  -7.528   8.043
  265    H    LYS  33           H        LYS  33   3.390  -7.498   5.250
  266    HA   LYS  33           HA       LYS  33   2.881 -10.393   5.213
  267   1HB   LYS  33          2HB       LYS  33   1.956  -8.121   3.531
  268   2HB   LYS  33          1HB       LYS  33   2.188  -9.671   2.738
  269   1HG   LYS  33          2HG       LYS  33   0.635 -10.723   4.269
  270   2HG   LYS  33          1HG       LYS  33   0.448  -9.207   5.153
  271   1HD   LYS  33          2HD       LYS  33  -0.748  -8.205   3.435
  272   2HD   LYS  33          1HD       LYS  33  -0.121  -9.318   2.217
  273   1HE   LYS  33          2HE       LYS  33  -1.443 -10.974   3.985
  274   2HE   LYS  33          1HE       LYS  33  -2.469  -9.541   3.922
  275   1HZ   LYS  33          1HZ       LYS  33  -2.825  -9.798   1.661
  276   2HZ   LYS  33          2HZ       LYS  33  -2.858 -11.393   2.221
  277   3HZ   LYS  33          3HZ       LYS  33  -1.479 -10.799   1.443
  278    H    GLU  34           H        GLU  34   4.774  -7.828   3.669
  279    HA   GLU  34           HA       GLU  34   6.371  -9.865   2.290
  280   1HB   GLU  34          2HB       GLU  34   6.215  -6.870   1.915
  281   2HB   GLU  34          1HB       GLU  34   7.314  -7.921   1.031
  282   1HG   GLU  34          2HG       GLU  34   4.364  -7.638   0.804
  283   2HG   GLU  34          1HG       GLU  34   5.591  -7.714  -0.459
  284    H    GLY  35           H        GLY  35   6.497  -7.508   4.829
  285   1HA   GLY  35          2HA       GLY  35   8.089  -7.206   6.472
  286   2HA   GLY  35          1HA       GLY  35   8.987  -8.545   5.778
  287    H    ILE  36           H        ILE  36   8.038  -5.628   4.046
  288    HA   ILE  36           HA       ILE  36  10.894  -4.923   3.849
  289    HB   ILE  36           HB       ILE  36   8.694  -4.591   1.811
  290   1HG1  ILE  36          2HG1      ILE  36  11.316  -6.104   1.766
  291   2HG1  ILE  36          1HG1      ILE  36   9.711  -6.818   1.890
  292   1HG2  ILE  36          1HG2      ILE  36   9.757  -2.785   1.074
  293   2HG2  ILE  36          2HG2      ILE  36  11.113  -3.831   0.657
  294   3HG2  ILE  36          3HG2      ILE  36  11.075  -3.019   2.222
  295   1HD1  ILE  36          1HD1      ILE  36   9.358  -6.692  -0.307
  296   2HD1  ILE  36          2HD1      ILE  36  11.109  -6.497  -0.414
  297   3HD1  ILE  36          3HD1      ILE  36  10.060  -5.079  -0.429
  298    HA   PRO  37           HA       PRO  37   9.802  -1.225   6.085
  299   1HB   PRO  37          2HB       PRO  37  12.243  -0.218   4.713
  300   2HB   PRO  37          1HB       PRO  37  11.829  -0.202   6.430
  301   1HG   PRO  37          2HG       PRO  37  13.623  -1.926   5.474
  302   2HG   PRO  37          1HG       PRO  37  12.481  -2.405   6.743
  303   1HD   PRO  37          2HD       PRO  37  12.459  -3.053   3.829
  304   2HD   PRO  37          1HD       PRO  37  11.980  -4.056   5.214
  305    HA   PRO  38           HA       PRO  38   7.507   1.093   3.086
  306   1HB   PRO  38          2HB       PRO  38   8.085   3.346   4.950
  307   2HB   PRO  38          1HB       PRO  38   6.541   2.804   4.285
  308   1HG   PRO  38          2HG       PRO  38   7.200   2.266   6.810
  309   2HG   PRO  38          1HG       PRO  38   6.338   1.075   5.818
  310   1HD   PRO  38          2HD       PRO  38   9.205   1.145   6.636
  311   2HD   PRO  38          1HD       PRO  38   8.130  -0.249   6.401
  312    H    ASP  39           H        ASP  39  10.643   2.063   4.269
  313    HA   ASP  39           HA       ASP  39  11.113   4.235   2.542
  314   1HB   ASP  39          2HB       ASP  39  12.453   3.297   4.626
  315   2HB   ASP  39          1HB       ASP  39  13.368   2.460   3.374
  316    H    GLN  40           H        GLN  40  11.083   0.836   2.006
  317    HA   GLN  40           HA       GLN  40  12.328   1.215  -0.637
  318   1HB   GLN  40          2HB       GLN  40  12.074  -1.278   1.052
  319   2HB   GLN  40          1HB       GLN  40  12.689  -1.259  -0.595
  320   1HG   GLN  40          2HG       GLN  40  14.710  -0.857   0.192
  321   2HG   GLN  40          1HG       GLN  40  14.138   0.687   0.823
  322   1HE2  GLN  40          1HE2      GLN  40  14.725  -2.674   1.567
  323   2HE2  GLN  40          2HE2      GLN  40  14.740  -2.494   3.285
  324    H    GLN  41           H        GLN  41   9.404   1.299   0.601
  325    HA   GLN  41           HA       GLN  41   8.128  -0.492  -1.335
  326   1HB   GLN  41          2HB       GLN  41   7.053   1.011   1.052
  327   2HB   GLN  41          1HB       GLN  41   6.026   0.136  -0.075
  328   1HG   GLN  41          2HG       GLN  41   7.495  -1.892   0.456
  329   2HG   GLN  41          1HG       GLN  41   8.062  -0.947   1.833
  330   1HE2  GLN  41          1HE2      GLN  41   6.984  -1.188   3.649
  331   2HE2  GLN  41          2HE2      GLN  41   5.358  -1.755   3.802
  332    H    ARG  42           H        ARG  42   6.875   0.232  -2.993
  333    HA   ARG  42           HA       ARG  42   6.357   3.104  -3.217
  334   1HB   ARG  42          2HB       ARG  42   8.313   1.661  -4.753
  335   2HB   ARG  42          1HB       ARG  42   7.032   2.229  -5.817
  336   1HG   ARG  42          2HG       ARG  42   7.587   4.404  -4.185
  337   2HG   ARG  42          1HG       ARG  42   9.165   3.699  -4.544
  338   1HD   ARG  42          2HD       ARG  42   7.139   4.199  -6.699
  339   2HD   ARG  42          1HD       ARG  42   8.238   5.466  -6.156
  340    HE   ARG  42           HE       ARG  42   9.939   3.481  -6.696
  341   1HH1  ARG  42          2HH1      ARG  42   7.263   4.769  -8.513
  342   2HH1  ARG  42          1HH1      ARG  42   7.960   4.392 -10.055
  343   1HH2  ARG  42          1HH2      ARG  42  10.866   2.980  -8.719
  344   2HH2  ARG  42          2HH2      ARG  42  10.008   3.374 -10.172
  345    H    LEU  43           H        LEU  43   4.214   3.201  -3.356
  346    HA   LEU  43           HA       LEU  43   2.774   1.127  -4.845
  347   1HB   LEU  43          2HB       LEU  43   1.445   3.276  -3.237
  348   2HB   LEU  43          1HB       LEU  43   0.868   1.663  -3.617
  349    HG   LEU  43           HG       LEU  43   3.030   2.379  -1.636
  350   1HD1  LEU  43          1HD1      LEU  43   1.154   2.751  -0.427
  351   2HD1  LEU  43          2HD1      LEU  43   1.216   0.997  -0.247
  352   3HD1  LEU  43          3HD1      LEU  43   0.154   1.723  -1.453
  353   1HD2  LEU  43          1HD2      LEU  43   3.437   0.127  -1.269
  354   2HD2  LEU  43          2HD2      LEU  43   3.296   0.213  -3.025
  355   3HD2  LEU  43          3HD2      LEU  43   1.944  -0.377  -2.059
  356    H    ILE  44           H        ILE  44   2.099   1.527  -6.840
  357    HA   ILE  44           HA       ILE  44   1.725   4.335  -7.660
  358    HB   ILE  44           HB       ILE  44   2.660   1.999  -9.328
  359   1HG1  ILE  44          2HG1      ILE  44   4.562   3.841  -9.641
  360   2HG1  ILE  44          1HG1      ILE  44   3.986   4.344  -8.055
  361   1HG2  ILE  44          1HG2      ILE  44   2.846   4.561 -10.620
  362   2HG2  ILE  44          2HG2      ILE  44   1.180   4.223 -10.151
  363   3HG2  ILE  44          3HG2      ILE  44   2.057   3.083 -11.170
  364   1HD1  ILE  44          1HD1      ILE  44   5.922   2.550  -8.403
  365   2HD1  ILE  44          2HD1      ILE  44   4.529   1.467  -8.405
  366   3HD1  ILE  44          3HD1      ILE  44   4.822   2.525  -7.023
  367    H    PHE  45           H        PHE  45  -0.355   4.795  -7.884
  368    HA   PHE  45           HA       PHE  45  -2.151   2.725  -8.965
  369   1HB   PHE  45          2HB       PHE  45  -2.731   3.301  -6.670
  370   2HB   PHE  45          1HB       PHE  45  -2.783   5.010  -7.087
  371    HD1  PHE  45           HD1      PHE  45  -4.607   1.924  -6.953
  372    HD2  PHE  45           HD2      PHE  45  -4.547   5.817  -8.692
  373    HE1  PHE  45           HE1      PHE  45  -7.003   1.714  -7.497
  374    HE2  PHE  45           HE2      PHE  45  -6.942   5.614  -9.240
  375    HZ   PHE  45           HZ       PHE  45  -8.172   3.560  -8.641
  376    H    ALA  46           H        ALA  46  -3.017   3.116 -10.888
  377    HA   ALA  46           HA       ALA  46  -3.504   4.164 -12.854
  378   1HB   ALA  46          1HB       ALA  46  -5.135   5.749 -12.675
  379   2HB   ALA  46          2HB       ALA  46  -4.294   6.634 -11.403
  380   3HB   ALA  46          3HB       ALA  46  -5.144   5.136 -11.021
  381    H    GLY  47           H        GLY  47  -0.806   4.366 -12.178
  382   1HA   GLY  47          2HA       GLY  47   0.985   5.438 -13.217
  383   2HA   GLY  47          1HA       GLY  47  -0.098   6.734 -13.694
  384    H    LYS  48           H        LYS  48  -1.107   7.267 -11.045
  385    HA   LYS  48           HA       LYS  48   0.960   9.029 -10.158
  386   1HB   LYS  48          2HB       LYS  48  -1.872   8.650  -9.680
  387   2HB   LYS  48          1HB       LYS  48  -1.011   8.944  -8.175
  388   1HG   LYS  48          2HG       LYS  48  -0.456  11.074  -8.742
  389   2HG   LYS  48          1HG       LYS  48  -0.408  10.720 -10.471
  390   1HD   LYS  48          2HD       LYS  48  -3.071  10.324  -9.543
  391   2HD   LYS  48          1HD       LYS  48  -2.508  11.894  -8.965
  392   1HE   LYS  48          2HE       LYS  48  -1.661  12.177 -11.414
  393   2HE   LYS  48          1HE       LYS  48  -2.828  10.904 -11.767
  394   1HZ   LYS  48          1HZ       LYS  48  -3.787  13.106 -12.054
  395   2HZ   LYS  48          2HZ       LYS  48  -3.449  13.489 -10.441
  396   3HZ   LYS  48          3HZ       LYS  48  -4.566  12.271 -10.804
  397    H    GLN  49           H        GLN  49   2.139   8.984  -8.258
  398    HA   GLN  49           HA       GLN  49   2.402   6.332  -7.047
  399   1HB   GLN  49          2HB       GLN  49   4.478   7.174  -7.853
  400   2HB   GLN  49          1HB       GLN  49   4.209   8.745  -7.108
  401   1HG   GLN  49          2HG       GLN  49   4.113   6.980  -4.984
  402   2HG   GLN  49          1HG       GLN  49   5.398   6.345  -6.011
  403   1HE2  GLN  49          1HE2      GLN  49   7.291   7.446  -6.195
  404   2HE2  GLN  49          2HE2      GLN  49   7.671   8.861  -5.280
  405    H    LEU  50           H        LEU  50   1.048   6.083  -5.375
  406    HA   LEU  50           HA       LEU  50  -0.112   8.006  -3.794
  407   1HB   LEU  50          2HB       LEU  50   0.511   5.125  -3.428
  408   2HB   LEU  50          1HB       LEU  50   0.033   6.031  -2.005
  409    HG   LEU  50           HG       LEU  50  -2.074   6.648  -3.072
  410   1HD1  LEU  50          1HD1      LEU  50  -1.530   4.801  -5.345
  411   2HD1  LEU  50          2HD1      LEU  50  -0.930   6.457  -5.420
  412   3HD1  LEU  50          3HD1      LEU  50  -2.657   6.153  -5.233
  413   1HD2  LEU  50          1HD2      LEU  50  -2.924   4.779  -2.242
  414   2HD2  LEU  50          2HD2      LEU  50  -1.310   4.068  -2.246
  415   3HD2  LEU  50          3HD2      LEU  50  -2.365   3.866  -3.643
  416    H    GLU  51           H        GLU  51   0.494   9.268  -2.140
  417    HA   GLU  51           HA       GLU  51   3.279   9.078  -1.248
  418   1HB   GLU  51          2HB       GLU  51   1.339  11.350  -0.806
  419   2HB   GLU  51          1HB       GLU  51   3.081  11.376  -0.562
  420   1HG   GLU  51          2HG       GLU  51   3.001  10.691  -3.152
  421   2HG   GLU  51          1HG       GLU  51   1.505  11.619  -3.040
  422    H    ASP  52           H        ASP  52   3.816   9.255   0.984
  423    HA   ASP  52           HA       ASP  52   2.113   7.742   2.682
  424   1HB   ASP  52          2HB       ASP  52   4.624   9.302   3.322
  425   2HB   ASP  52          1HB       ASP  52   3.845   8.149   4.402
  426    H    GLY  53           H        GLY  53   1.823  10.886   1.785
  427   1HA   GLY  53          2HA       GLY  53   0.862  11.764   4.425
  428   2HA   GLY  53          1HA       GLY  53   1.291  12.833   3.099
  429    H    ARG  54           H        ARG  54  -0.258  10.593   1.470
  430    HA   ARG  54           HA       ARG  54  -2.856  11.931   1.783
  431   1HB   ARG  54          2HB       ARG  54  -1.384  10.791  -0.532
  432   2HB   ARG  54          1HB       ARG  54  -3.136  10.648  -0.553
  433   1HG   ARG  54          2HG       ARG  54  -2.881  13.246   0.108
  434   2HG   ARG  54          1HG       ARG  54  -1.424  13.019  -0.862
  435   1HD   ARG  54          2HD       ARG  54  -3.651  11.747  -2.141
  436   2HD   ARG  54          1HD       ARG  54  -4.058  13.421  -1.764
  437    HE   ARG  54           HE       ARG  54  -1.556  13.515  -2.892
  438   1HH1  ARG  54          2HH1      ARG  54  -4.698  12.359  -3.852
  439   2HH1  ARG  54          1HH1      ARG  54  -4.437  12.658  -5.538
  440   1HH2  ARG  54          1HH2      ARG  54  -1.201  13.914  -5.110
  441   2HH2  ARG  54          2HH2      ARG  54  -2.448  13.542  -6.253
  442    H    THR  55           H        THR  55  -4.701  10.392   0.898
  443    HA   THR  55           HA       THR  55  -4.401   7.778   2.226
  444    HB   THR  55           HB       THR  55  -6.707   7.908   2.994
  445    HG1  THR  55           HG1      THR  55  -6.760  10.052   1.285
  446   1HG2  THR  55          1HG2      THR  55  -4.737   8.979   4.277
  447   2HG2  THR  55          2HG2      THR  55  -6.381   9.367   4.786
  448   3HG2  THR  55          3HG2      THR  55  -5.465  10.515   3.809
  449    H    LEU  56           H        LEU  56  -6.501   6.408   1.595
  450    HA   LEU  56           HA       LEU  56  -6.240   5.867  -1.176
  451   1HB   LEU  56          2HB       LEU  56  -8.531   4.872   0.483
  452   2HB   LEU  56          1HB       LEU  56  -7.691   4.066  -0.828
  453    HG   LEU  56           HG       LEU  56  -6.809   4.409   2.022
  454   1HD1  LEU  56          1HD1      LEU  56  -8.128   2.393   0.757
  455   2HD1  LEU  56          2HD1      LEU  56  -7.131   2.199   2.198
  456   3HD1  LEU  56          3HD1      LEU  56  -6.449   1.874   0.604
  457   1HD2  LEU  56          1HD2      LEU  56  -4.842   5.016   0.917
  458   2HD2  LEU  56          2HD2      LEU  56  -5.125   3.880  -0.402
  459   3HD2  LEU  56          3HD2      LEU  56  -4.666   3.283   1.193
  460    H    SER  57           H        SER  57  -8.816   7.342   0.764
  461    HA   SER  57           HA       SER  57 -10.666   7.702  -1.317
  462   1HB   SER  57          2HB       SER  57 -11.834   9.166   0.158
  463   2HB   SER  57          1HB       SER  57 -11.084   7.941   1.181
  464    HG   SER  57           HG       SER  57 -10.875  10.406   1.606
  465    H    ASP  58           H        ASP  58  -7.787   9.417  -0.471
  466    HA   ASP  58           HA       ASP  58  -8.306  11.898  -1.672
  467   1HB   ASP  58          2HB       ASP  58  -5.842  10.380  -0.939
  468   2HB   ASP  58          1HB       ASP  58  -5.674  11.776  -2.001
  469    H    TYR  59           H        TYR  59  -7.221   8.836  -2.999
  470    HA   TYR  59           HA       TYR  59  -7.008  10.040  -5.665
  471   1HB   TYR  59          2HB       TYR  59  -6.225   7.253  -4.790
  472   2HB   TYR  59          1HB       TYR  59  -5.853   8.015  -6.332
  473    HD1  TYR  59           HD1      TYR  59  -3.973   9.450  -6.571
  474    HD2  TYR  59           HD2      TYR  59  -5.140   8.099  -2.701
  475    HE1  TYR  59           HE1      TYR  59  -1.858  10.306  -5.642
  476    HE2  TYR  59           HE2      TYR  59  -3.029   8.952  -1.760
  477    HH   TYR  59           HH       TYR  59  -0.968  11.042  -3.458
  478    H    ASN  60           H        ASN  60  -9.521   9.355  -4.139
  479    HA   ASN  60           HA       ASN  60 -11.558   8.390  -4.490
  480   1HB   ASN  60          2HB       ASN  60 -11.291   9.918  -6.481
  481   2HB   ASN  60          1HB       ASN  60 -10.774   8.513  -7.407
  482   1HD2  ASN  60          1HD2      ASN  60 -12.443   8.420  -8.810
  483   2HD2  ASN  60          2HD2      ASN  60 -14.077   8.098  -8.350
  484    H    ILE  61           H        ILE  61  -9.834   6.488  -3.716
  485    HA   ILE  61           HA       ILE  61  -9.821   4.285  -5.595
  486    HB   ILE  61           HB       ILE  61  -8.948   4.425  -2.708
  487   1HG1  ILE  61          2HG1      ILE  61  -7.438   4.491  -5.325
  488   2HG1  ILE  61          1HG1      ILE  61  -7.512   5.756  -4.102
  489   1HG2  ILE  61          1HG2      ILE  61  -7.690   2.263  -3.621
  490   2HG2  ILE  61          2HG2      ILE  61  -9.135   2.180  -4.628
  491   3HG2  ILE  61          3HG2      ILE  61  -9.284   2.186  -2.871
  492   1HD1  ILE  61          1HD1      ILE  61  -6.064   3.140  -3.997
  493   2HD1  ILE  61          2HD1      ILE  61  -6.406   4.077  -2.543
  494   3HD1  ILE  61          3HD1      ILE  61  -5.418   4.772  -3.829
  495    H    GLN  62           H        GLN  62 -11.118   2.518  -5.573
  496    HA   GLN  62           HA       GLN  62 -13.261   2.464  -3.548
  497   1HB   GLN  62          2HB       GLN  62 -13.344   1.931  -6.505
  498   2HB   GLN  62          1HB       GLN  62 -14.560   1.254  -5.430
  499   1HG   GLN  62          2HG       GLN  62 -14.010   4.125  -6.070
  500   2HG   GLN  62          1HG       GLN  62 -15.512   3.218  -6.241
  501   1HE2  GLN  62          1HE2      GLN  62 -13.782   5.350  -4.335
  502   2HE2  GLN  62          2HE2      GLN  62 -14.740   5.258  -2.900
  503    H    LYS  63           H        LYS  63 -14.399   0.088  -3.962
  504    HA   LYS  63           HA       LYS  63 -12.476  -1.735  -2.875
  505   1HB   LYS  63          2HB       LYS  63 -14.333  -3.299  -2.713
  506   2HB   LYS  63          1HB       LYS  63 -14.823  -1.715  -2.132
  507   1HG   LYS  63          2HG       LYS  63 -15.516  -1.608  -4.777
  508   2HG   LYS  63          1HG       LYS  63 -15.841  -3.292  -4.359
  509   1HD   LYS  63          2HD       LYS  63 -16.761  -1.391  -2.342
  510   2HD   LYS  63          1HD       LYS  63 -17.535  -1.181  -3.913
  511   1HE   LYS  63          2HE       LYS  63 -17.505  -3.930  -3.511
  512   2HE   LYS  63          1HE       LYS  63 -17.902  -3.258  -1.930
  513   1HZ   LYS  63          1HZ       LYS  63 -19.947  -2.853  -2.631
  514   2HZ   LYS  63          2HZ       LYS  63 -19.587  -3.574  -4.119
  515   3HZ   LYS  63          3HZ       LYS  63 -19.374  -1.908  -3.915
  516    H    GLU  64           H        GLU  64 -12.104  -3.915  -3.735
  517    HA   GLU  64           HA       GLU  64 -11.444  -5.365  -5.360
  518   1HB   GLU  64          2HB       GLU  64 -13.302  -3.809  -7.167
  519   2HB   GLU  64          1HB       GLU  64 -12.650  -5.414  -7.473
  520   1HG   GLU  64          2HG       GLU  64 -13.891  -6.308  -5.599
  521   2HG   GLU  64          1HG       GLU  64 -14.493  -4.699  -5.204
  522    H    SER  65           H        SER  65 -10.477  -2.391  -5.087
  523    HA   SER  65           HA       SER  65  -9.284  -1.867  -7.647
  524   1HB   SER  65          2HB       SER  65  -8.803  -0.613  -4.933
  525   2HB   SER  65          1HB       SER  65  -8.126  -0.021  -6.450
  526    HG   SER  65           HG       SER  65  -9.939   1.139  -6.237
  527    H    THR  66           H        THR  66  -7.133  -2.081  -8.239
  528    HA   THR  66           HA       THR  66  -5.521  -3.820  -6.487
  529    HB   THR  66           HB       THR  66  -5.547  -3.678  -9.508
  530    HG1  THR  66           HG1      THR  66  -5.980  -6.116  -8.652
  531   1HG2  THR  66          1HG2      THR  66  -4.020  -5.730  -7.972
  532   2HG2  THR  66          2HG2      THR  66  -3.310  -4.131  -8.196
  533   3HG2  THR  66          3HG2      THR  66  -3.745  -5.107  -9.599
  534    H    ILE  67           H        ILE  67  -3.407  -3.311  -6.111
  535    HA   ILE  67           HA       ILE  67  -2.357  -0.867  -7.376
  536    HB   ILE  67           HB       ILE  67  -2.107  -1.604  -4.457
  537   1HG1  ILE  67          2HG1      ILE  67  -3.239   0.780  -4.360
  538   2HG1  ILE  67          1HG1      ILE  67  -3.798   0.343  -5.972
  539   1HG2  ILE  67          1HG2      ILE  67  -0.127  -0.534  -4.774
  540   2HG2  ILE  67          2HG2      ILE  67  -1.160   0.878  -4.549
  541   3HG2  ILE  67          3HG2      ILE  67  -0.710   0.365  -6.175
  542   1HD1  ILE  67          1HD1      ILE  67  -5.406  -0.170  -4.161
  543   2HD1  ILE  67          2HD1      ILE  67  -4.248  -1.336  -3.522
  544   3HD1  ILE  67          3HD1      ILE  67  -4.944  -1.571  -5.126
  545    H    HIS  68           H        HIS  68  -0.134  -0.792  -7.721
  546    HA   HIS  68           HA       HIS  68   1.201  -3.403  -7.554
  547   1HB   HIS  68          2HB       HIS  68   1.361  -1.111  -9.448
  548   2HB   HIS  68          1HB       HIS  68   2.827  -2.051  -9.181
  549    HD1  HIS  68           HD1      HIS  68   2.609  -4.675  -9.724
  550    HD2  HIS  68           HD2      HIS  68  -0.432  -2.240 -11.170
  551    HE1  HIS  68           HE1      HIS  68   1.434  -6.038 -11.482
  552    HE2  HIS  68           HE2      HIS  68  -0.456  -4.576 -12.279
  553    H    LEU  69           H        LEU  69   2.975  -3.695  -6.348
  554    HA   LEU  69           HA       LEU  69   4.023  -1.362  -4.901
  555   1HB   LEU  69          2HB       LEU  69   3.185  -3.071  -3.439
  556   2HB   LEU  69          1HB       LEU  69   4.099  -4.310  -4.277
  557    HG   LEU  69           HG       LEU  69   6.146  -2.787  -3.505
  558   1HD1  LEU  69          1HD1      LEU  69   5.481  -1.128  -2.173
  559   2HD1  LEU  69          2HD1      LEU  69   5.201  -2.373  -0.957
  560   3HD1  LEU  69          3HD1      LEU  69   3.871  -1.819  -1.974
  561   1HD2  LEU  69          1HD2      LEU  69   5.697  -4.249  -1.213
  562   2HD2  LEU  69          2HD2      LEU  69   6.496  -4.827  -2.676
  563   3HD2  LEU  69          3HD2      LEU  69   4.773  -5.116  -2.440
  564    H    VAL  70           H        VAL  70   6.172  -0.850  -4.915
  565    HA   VAL  70           HA       VAL  70   7.944  -2.516  -6.574
  566    HB   VAL  70           HB       VAL  70   8.472   0.381  -6.667
  567   1HG1  VAL  70          1HG1      VAL  70   8.548  -1.952  -8.542
  568   2HG1  VAL  70          2HG1      VAL  70   9.865  -0.910  -8.005
  569   3HG1  VAL  70          3HG1      VAL  70   8.669  -0.301  -9.151
  570   1HG2  VAL  70          1HG2      VAL  70   5.917  -0.781  -7.659
  571   2HG2  VAL  70          2HG2      VAL  70   6.726   0.444  -8.636
  572   3HG2  VAL  70          3HG2      VAL  70   6.245   0.814  -6.980
  573    H    LEU  71           H        LEU  71  10.238  -2.187  -6.167
  574    HA   LEU  71           HA       LEU  71  10.735  -1.806  -3.334
  575   1HB   LEU  71          2HB       LEU  71  11.890  -3.346  -5.444
  576   2HB   LEU  71          1HB       LEU  71  13.139  -2.331  -4.750
  577    HG   LEU  71           HG       LEU  71  12.741  -3.265  -2.548
  578   1HD1  LEU  71          1HD1      LEU  71  11.063  -5.463  -3.082
  579   2HD1  LEU  71          2HD1      LEU  71  10.244  -4.028  -3.701
  580   3HD1  LEU  71          3HD1      LEU  71  10.757  -4.092  -2.015
  581   1HD2  LEU  71          1HD2      LEU  71  14.344  -4.510  -3.676
  582   2HD2  LEU  71          2HD2      LEU  71  13.171  -5.176  -4.812
  583   3HD2  LEU  71          3HD2      LEU  71  13.193  -5.733  -3.139
  584    H    ARG  72           H        ARG  72  11.494  -0.263  -6.387
  585    HA   ARG  72           HA       ARG  72  12.188   1.871  -6.827
  586   1HB   ARG  72          2HB       ARG  72  10.995   2.306  -4.543
  587   2HB   ARG  72          1HB       ARG  72  12.633   2.414  -3.912
  588   1HG   ARG  72          2HG       ARG  72  12.409   4.000  -6.284
  589   2HG   ARG  72          1HG       ARG  72  11.127   4.426  -5.150
  590   1HD   ARG  72          2HD       ARG  72  13.277   4.237  -3.493
  591   2HD   ARG  72          1HD       ARG  72  14.029   4.838  -4.971
  592    HE   ARG  72           HE       ARG  72  11.916   6.479  -4.688
  593   1HH1  ARG  72          2HH1      ARG  72  14.409   5.456  -2.481
  594   2HH1  ARG  72          1HH1      ARG  72  14.385   6.928  -1.568
  595   1HH2  ARG  72          1HH2      ARG  72  11.876   8.421  -3.492
  596   2HH2  ARG  72          2HH2      ARG  72  12.944   8.614  -2.143
  597    H    LEU  73           H        LEU  73  14.064   1.110  -7.799
  598    HA   LEU  73           HA       LEU  73  16.501   1.608  -6.268
  599   1HB   LEU  73          2HB       LEU  73  17.474  -0.482  -7.446
  600   2HB   LEU  73          1HB       LEU  73  16.522  -0.683  -5.987
  601    HG   LEU  73           HG       LEU  73  16.029  -2.340  -7.796
  602   1HD1  LEU  73          1HD1      LEU  73  13.465  -0.986  -7.572
  603   2HD1  LEU  73          2HD1      LEU  73  14.329  -1.083  -6.038
  604   3HD1  LEU  73          3HD1      LEU  73  13.979  -2.553  -6.948
  605   1HD2  LEU  73          1HD2      LEU  73  14.689  -0.038  -9.193
  606   2HD2  LEU  73          2HD2      LEU  73  14.863  -1.699  -9.756
  607   3HD2  LEU  73          3HD2      LEU  73  16.279  -0.655  -9.647
  608    H    ARG  74           H        ARG  74  15.406   3.304  -8.112
  609    HA   ARG  74           HA       ARG  74  15.773   4.413 -10.072
  610   1HB   ARG  74          2HB       ARG  74  18.452   3.464  -9.171
  611   2HB   ARG  74          1HB       ARG  74  18.328   4.198 -10.764
  612   1HG   ARG  74          2HG       ARG  74  16.941   5.949  -9.153
  613   2HG   ARG  74          1HG       ARG  74  18.285   5.427  -8.136
  614   1HD   ARG  74          2HD       ARG  74  18.302   6.955 -10.683
  615   2HD   ARG  74          1HD       ARG  74  19.276   7.171  -9.230
  616    HE   ARG  74           HE       ARG  74  20.140   4.801 -10.234
  617   1HH1  ARG  74          2HH1      ARG  74  19.779   8.003 -11.557
  618   2HH1  ARG  74          1HH1      ARG  74  21.092   7.830 -12.674
  619   1HH2  ARG  74          1HH2      ARG  74  21.872   4.564 -11.700
  620   2HH2  ARG  74          2HH2      ARG  74  22.282   5.875 -12.755
  621    H    GLY  75           H        GLY  75  14.537   2.078 -10.613
  622   1HA   GLY  75          2HA       GLY  75  16.034   0.862 -12.837
  623   2HA   GLY  75          1HA       GLY  75  14.652   0.140 -12.029
  624    H    GLY  76           HN       GLY  76  15.023   0.507 -14.865
  625   1HA   GLY  76          2HA       GLY  76  12.905   0.835 -16.159
  626   2HA   GLY  76          1HA       GLY  76  12.841   2.424 -15.412
  Start of MODEL    2
    1   2H    MET   1          2H        MET   1 -14.242  -2.966   2.659
    2   3H    MET   1          3H        MET   1 -13.677  -4.487   2.180
    3   1H    MET   1          1H        MET   1 -14.865  -3.700   1.268
    4    HA   MET   1           HA       MET   1 -13.366  -2.682   0.052
    5   1HB   MET   1          2HB       MET   1 -13.309  -0.904   1.667
    6   2HB   MET   1          1HB       MET   1 -12.238  -1.820   2.717
    7   1HG   MET   1          2HG       MET   1 -10.391  -1.404   1.438
    8   2HG   MET   1          1HG       MET   1 -11.327  -1.193  -0.041
    9   1HE   MET   1          1HE       MET   1 -11.442   0.557  -1.120
   10   2HE   MET   1          2HE       MET   1 -10.119   1.642  -0.695
   11   3HE   MET   1          3HE       MET   1 -11.787   2.209  -0.609
   12    H    GLN   2           H        GLN   2 -12.735  -4.854  -0.584
   13    HA   GLN   2           HA       GLN   2 -10.169  -5.763   0.498
   14   1HB   GLN   2          2HB       GLN   2 -12.083  -7.134  -1.400
   15   2HB   GLN   2          1HB       GLN   2 -10.606  -7.840  -0.756
   16   1HG   GLN   2          2HG       GLN   2 -12.286  -6.861   1.368
   17   2HG   GLN   2          1HG       GLN   2 -13.163  -7.983   0.330
   18   1HE2  GLN   2          1HE2      GLN   2 -13.207  -9.377   2.186
   19   2HE2  GLN   2          2HE2      GLN   2 -11.837 -10.364   2.553
   20    H    VAL   3           H        VAL   3  -8.474  -4.855  -0.441
   21    HA   VAL   3           HA       VAL   3  -8.543  -4.264  -3.313
   22    HB   VAL   3           HB       VAL   3  -6.369  -3.052  -2.817
   23   1HG1  VAL   3          1HG1      VAL   3  -8.326  -1.696  -1.116
   24   2HG1  VAL   3          2HG1      VAL   3  -8.971  -2.235  -2.666
   25   3HG1  VAL   3          3HG1      VAL   3  -7.567  -1.169  -2.618
   26   1HG2  VAL   3          1HG2      VAL   3  -5.468  -3.038  -0.775
   27   2HG2  VAL   3          2HG2      VAL   3  -6.560  -4.370  -0.397
   28   3HG2  VAL   3          3HG2      VAL   3  -7.021  -2.714  -0.005
   29    H    PHE   4           H        PHE   4  -6.615  -4.749  -4.608
   30    HA   PHE   4           HA       PHE   4  -5.335  -7.252  -3.724
   31   1HB   PHE   4          2HB       PHE   4  -5.806  -6.384  -6.580
   32   2HB   PHE   4          1HB       PHE   4  -5.244  -7.957  -6.023
   33    HD1  PHE   4           HD1      PHE   4  -6.845  -9.322  -4.554
   34    HD2  PHE   4           HD2      PHE   4  -8.067  -5.993  -6.922
   35    HE1  PHE   4           HE1      PHE   4  -9.173 -10.130  -4.481
   36    HE2  PHE   4           HE2      PHE   4 -10.398  -6.793  -6.852
   37    HZ   PHE   4           HZ       PHE   4 -10.953  -8.864  -5.630
   38    H    LEU   5           H        LEU   5  -3.199  -7.242  -3.493
   39    HA   LEU   5           HA       LEU   5  -1.681  -5.016  -4.682
   40   1HB   LEU   5          2HB       LEU   5  -1.861  -5.429  -2.095
   41   2HB   LEU   5          1HB       LEU   5  -0.652  -6.660  -2.406
   42    HG   LEU   5           HG       LEU   5   0.452  -4.520  -3.677
   43   1HD1  LEU   5          1HD1      LEU   5  -1.310  -3.516  -1.493
   44   2HD1  LEU   5          2HD1      LEU   5  -0.941  -2.802  -3.063
   45   3HD1  LEU   5          3HD1      LEU   5   0.254  -2.749  -1.767
   46   1HD2  LEU   5          1HD2      LEU   5   2.095  -4.693  -2.099
   47   2HD2  LEU   5          2HD2      LEU   5   1.231  -6.200  -1.794
   48   3HD2  LEU   5          3HD2      LEU   5   0.953  -4.799  -0.760
   49    H    LYS   6           H        LYS   6  -0.062  -5.455  -6.059
   50    HA   LYS   6           HA       LYS   6   0.582  -8.287  -6.523
   51   1HB   LYS   6          2HB       LYS   6  -0.097  -6.161  -8.289
   52   2HB   LYS   6          1HB       LYS   6   1.568  -6.618  -8.617
   53   1HG   LYS   6          2HG       LYS   6   0.888  -8.930  -8.948
   54   2HG   LYS   6          1HG       LYS   6  -0.784  -8.499  -8.577
   55   1HD   LYS   6          2HD       LYS   6   0.136  -6.730 -10.591
   56   2HD   LYS   6          1HD       LYS   6   0.577  -8.370 -11.074
   57   1HE   LYS   6          2HE       LYS   6  -2.158  -7.945 -10.010
   58   2HE   LYS   6          1HE       LYS   6  -1.805  -7.303 -11.614
   59   1HZ   LYS   6          1HZ       LYS   6  -1.572  -9.365 -12.491
   60   2HZ   LYS   6          2HZ       LYS   6  -2.640  -9.764 -11.241
   61   3HZ   LYS   6          3HZ       LYS   6  -0.983 -10.050 -11.060
   62    H    THR   7           H        THR   7   2.768  -8.865  -7.011
   63    HA   THR   7           HA       THR   7   4.692  -7.188  -5.566
   64    HB   THR   7           HB       THR   7   6.001  -9.096  -5.188
   65    HG1  THR   7           HG1      THR   7   5.516 -11.098  -6.353
   66   1HG2  THR   7          1HG2      THR   7   3.074  -9.752  -5.084
   67   2HG2  THR   7          2HG2      THR   7   4.159  -9.318  -3.764
   68   3HG2  THR   7          3HG2      THR   7   4.289 -10.902  -4.527
   69    H    LEU   8           H        LEU   8   7.023  -8.351  -6.695
   70    HA   LEU   8           HA       LEU   8   7.248  -6.714  -9.052
   71   1HB   LEU   8          2HB       LEU   8   9.317  -8.577  -7.900
   72   2HB   LEU   8          1HB       LEU   8   9.590  -7.221  -8.977
   73    HG   LEU   8           HG       LEU   8   8.579  -6.977  -6.143
   74   1HD1  LEU   8          1HD1      LEU   8  10.879  -7.807  -6.221
   75   2HD1  LEU   8          2HD1      LEU   8  10.803  -6.156  -5.605
   76   3HD1  LEU   8          3HD1      LEU   8  11.330  -6.457  -7.261
   77   1HD2  LEU   8          1HD2      LEU   8   9.663  -4.819  -7.935
   78   2HD2  LEU   8          2HD2      LEU   8   8.821  -4.643  -6.396
   79   3HD2  LEU   8          3HD2      LEU   8   7.942  -5.193  -7.821
   80    H    THR   9           H        THR   9   5.980  -9.680  -8.656
   81    HA   THR   9           HA       THR   9   6.830 -10.529 -11.343
   82    HB   THR   9           HB       THR   9   6.671 -12.877 -10.661
   83    HG1  THR   9           HG1      THR   9   6.051 -11.722  -8.143
   84   1HG2  THR   9          1HG2      THR   9   8.501 -12.157  -8.571
   85   2HG2  THR   9          2HG2      THR   9   8.689 -11.054  -9.935
   86   3HG2  THR   9          3HG2      THR   9   8.844 -12.794 -10.180
   87    H    GLY  10           H        GLY  10   4.594 -12.407  -9.446
   88   1HA   GLY  10          2HA       GLY  10   2.270 -11.139 -10.659
   89   2HA   GLY  10          1HA       GLY  10   2.624 -12.768 -11.208
   90    H    LYS  11           H        LYS  11   2.879 -11.352  -7.959
   91    HA   LYS  11           HA       LYS  11   1.147 -13.514  -6.987
   92   1HB   LYS  11          2HB       LYS  11   3.526 -13.002  -6.054
   93   2HB   LYS  11          1HB       LYS  11   2.724 -11.688  -5.207
   94   1HG   LYS  11          2HG       LYS  11   1.110 -13.857  -4.683
   95   2HG   LYS  11          1HG       LYS  11   2.742 -14.529  -4.638
   96   1HD   LYS  11          2HD       LYS  11   3.221 -12.368  -3.204
   97   2HD   LYS  11          1HD       LYS  11   1.485 -12.461  -2.902
   98   1HE   LYS  11          2HE       LYS  11   1.669 -14.334  -1.647
   99   2HE   LYS  11          1HE       LYS  11   2.985 -14.986  -2.623
  100   1HZ   LYS  11          1HZ       LYS  11   3.853 -12.671  -1.258
  101   2HZ   LYS  11          2HZ       LYS  11   4.443 -14.251  -1.146
  102   3HZ   LYS  11          3HZ       LYS  11   3.172 -13.752  -0.150
  103    H    THR  12           H        THR  12  -0.905 -13.035  -6.615
  104    HA   THR  12           HA       THR  12  -1.656 -10.244  -6.128
  105    HB   THR  12           HB       THR  12  -3.603 -12.482  -6.621
  106    HG1  THR  12           HG1      THR  12  -2.380 -10.873  -8.630
  107   1HG2  THR  12          1HG2      THR  12  -3.867  -9.654  -7.554
  108   2HG2  THR  12          2HG2      THR  12  -4.173 -10.043  -5.862
  109   3HG2  THR  12          3HG2      THR  12  -5.123 -10.817  -7.129
  110    H    VAL  13           H        VAL  13  -2.027  -9.610  -4.121
  111    HA   VAL  13           HA       VAL  13  -2.961 -11.603  -2.159
  112    HB   VAL  13           HB       VAL  13  -1.894 -10.005  -0.451
  113   1HG1  VAL  13          1HG1      VAL  13   0.276 -11.220  -2.051
  114   2HG1  VAL  13          2HG1      VAL  13  -1.034 -12.289  -1.548
  115   3HG1  VAL  13          3HG1      VAL  13  -0.110 -11.398  -0.339
  116   1HG2  VAL  13          1HG2      VAL  13   0.139  -9.213  -2.380
  117   2HG2  VAL  13          2HG2      VAL  13  -0.654  -8.271  -1.116
  118   3HG2  VAL  13          3HG2      VAL  13  -1.432  -8.470  -2.687
  119    H    THR  14           H        THR  14  -4.652 -11.071  -0.841
  120    HA   THR  14           HA       THR  14  -6.100  -8.618  -1.543
  121    HB   THR  14           HB       THR  14  -7.694 -10.208   0.158
  122    HG1  THR  14           HG1      THR  14  -7.661 -12.188  -1.109
  123   1HG2  THR  14          1HG2      THR  14  -9.149 -10.340  -1.737
  124   2HG2  THR  14          2HG2      THR  14  -7.814 -10.053  -2.853
  125   3HG2  THR  14          3HG2      THR  14  -8.363  -8.763  -1.783
  126    H    ILE  15           H        ILE  15  -6.371  -7.003  -0.133
  127    HA   ILE  15           HA       ILE  15  -5.849  -7.504   2.717
  128    HB   ILE  15           HB       ILE  15  -4.795  -5.129   1.176
  129   1HG1  ILE  15          2HG1      ILE  15  -3.174  -7.278   2.535
  130   2HG1  ILE  15          1HG1      ILE  15  -3.652  -7.400   0.845
  131   1HG2  ILE  15          1HG2      ILE  15  -4.506  -4.104   3.122
  132   2HG2  ILE  15          2HG2      ILE  15  -3.654  -5.502   3.779
  133   3HG2  ILE  15          3HG2      ILE  15  -5.410  -5.403   3.899
  134   1HD1  ILE  15          1HD1      ILE  15  -1.882  -5.331   2.107
  135   2HD1  ILE  15          2HD1      ILE  15  -2.517  -5.201   0.466
  136   3HD1  ILE  15          3HD1      ILE  15  -1.452  -6.539   0.897
  137    H    GLU  16           H        GLU  16  -7.041  -6.276   4.157
  138    HA   GLU  16           HA       GLU  16  -9.322  -4.863   2.979
  139   1HB   GLU  16          2HB       GLU  16  -9.300  -6.801   4.861
  140   2HB   GLU  16          1HB       GLU  16  -9.236  -5.380   5.895
  141   1HG   GLU  16          2HG       GLU  16 -11.451  -5.372   5.741
  142   2HG   GLU  16          1HG       GLU  16 -11.212  -4.724   4.118
  143    H    VAL  17           H        VAL  17  -9.401  -2.721   3.013
  144    HA   VAL  17           HA       VAL  17  -8.090  -1.263   5.190
  145    HB   VAL  17           HB       VAL  17  -7.137   0.376   3.628
  146   1HG1  VAL  17          1HG1      VAL  17  -5.992  -2.149   2.614
  147   2HG1  VAL  17          2HG1      VAL  17  -6.064  -1.969   4.367
  148   3HG1  VAL  17          3HG1      VAL  17  -5.207  -0.777   3.393
  149   1HG2  VAL  17          1HG2      VAL  17  -8.520  -1.335   1.653
  150   2HG2  VAL  17          2HG2      VAL  17  -6.934  -0.718   1.191
  151   3HG2  VAL  17          3HG2      VAL  17  -8.220   0.402   1.638
  152    H    GLU  18           H        GLU  18  -8.742   1.057   5.230
  153    HA   GLU  18           HA       GLU  18 -11.526   1.337   4.312
  154   1HB   GLU  18          2HB       GLU  18 -10.120   2.168   6.807
  155   2HB   GLU  18          1HB       GLU  18 -11.429   3.183   6.219
  156   1HG   GLU  18          2HG       GLU  18 -11.749   0.231   6.648
  157   2HG   GLU  18          1HG       GLU  18 -12.028   1.415   7.924
  158    HA   PRO  19           HA       PRO  19 -10.581   4.677   1.616
  159   1HB   PRO  19          2HB       PRO  19 -12.809   6.099   3.003
  160   2HB   PRO  19          1HB       PRO  19 -12.543   5.840   1.275
  161   1HG   PRO  19          2HG       PRO  19 -14.355   4.406   2.599
  162   2HG   PRO  19          1HG       PRO  19 -13.346   3.662   1.345
  163   1HD   PRO  19          2HD       PRO  19 -13.162   3.434   4.313
  164   2HD   PRO  19          1HD       PRO  19 -12.806   2.226   3.061
  165    H    SER  20           H        SER  20 -11.119   5.361   5.031
  166    HA   SER  20           HA       SER  20  -9.680   7.875   4.892
  167   1HB   SER  20          2HB       SER  20 -10.285   8.185   7.174
  168   2HB   SER  20          1HB       SER  20 -11.689   7.459   6.391
  169    HG   SER  20           HG       SER  20 -11.043   6.513   8.454
  170    H    ASP  21           H        ASP  21  -8.342   5.247   4.319
  171    HA   ASP  21           HA       ASP  21  -6.425   5.046   6.504
  172   1HB   ASP  21          2HB       ASP  21  -7.050   3.399   4.084
  173   2HB   ASP  21          1HB       ASP  21  -5.460   3.257   4.828
  174    H    THR  22           H        THR  22  -4.271   5.569   6.341
  175    HA   THR  22           HA       THR  22  -3.603   7.428   4.198
  176    HB   THR  22           HB       THR  22  -1.941   8.298   5.558
  177    HG1  THR  22           HG1      THR  22  -0.625   6.777   6.266
  178   1HG2  THR  22          1HG2      THR  22  -3.136   8.995   7.334
  179   2HG2  THR  22          2HG2      THR  22  -3.388   7.354   7.929
  180   3HG2  THR  22          3HG2      THR  22  -4.423   7.999   6.655
  181    H    VAL  23           H        VAL  23  -1.704   7.269   2.950
  182    HA   VAL  23           HA       VAL  23  -1.137   4.814   1.831
  183    HB   VAL  23           HB       VAL  23   0.601   7.277   1.969
  184   1HG1  VAL  23          1HG1      VAL  23   1.008   4.667   0.567
  185   2HG1  VAL  23          2HG1      VAL  23   2.167   5.649   1.462
  186   3HG1  VAL  23          3HG1      VAL  23   1.626   6.162  -0.136
  187   1HG2  VAL  23          1HG2      VAL  23  -0.164   7.456  -0.438
  188   2HG2  VAL  23          2HG2      VAL  23  -1.392   7.752   0.792
  189   3HG2  VAL  23          3HG2      VAL  23  -1.348   6.206  -0.057
  190    H    GLU  24           H        GLU  24   0.476   6.445   4.515
  191    HA   GLU  24           HA       GLU  24   2.654   4.706   4.796
  192   1HB   GLU  24          2HB       GLU  24   2.538   6.865   5.939
  193   2HB   GLU  24          1HB       GLU  24   1.193   6.291   6.916
  194   1HG   GLU  24          2HG       GLU  24   3.035   4.398   7.461
  195   2HG   GLU  24          1HG       GLU  24   4.076   5.793   7.180
  196    H    ASN  25           H        ASN  25  -0.524   4.677   6.401
  197    HA   ASN  25           HA       ASN  25  -0.135   2.403   7.967
  198   1HB   ASN  25          2HB       ASN  25  -2.232   4.161   7.480
  199   2HB   ASN  25          1HB       ASN  25  -2.852   2.607   6.928
  200   1HD2  ASN  25          1HD2      ASN  25  -3.890   4.000   9.105
  201   2HD2  ASN  25          2HD2      ASN  25  -3.593   3.083  10.538
  202    H    PHE  26           H        PHE  26  -0.923   2.750   4.584
  203    HA   PHE  26           HA       PHE  26  -1.751   0.075   4.124
  204   1HB   PHE  26          2HB       PHE  26  -2.119   2.112   2.615
  205   2HB   PHE  26          1HB       PHE  26  -0.463   1.869   2.070
  206    HD1  PHE  26           HD1      PHE  26  -1.719  -1.277   2.833
  207    HD2  PHE  26           HD2      PHE  26  -2.020   1.796  -0.108
  208    HE1  PHE  26           HE1      PHE  26  -2.505  -2.935   1.187
  209    HE2  PHE  26           HE2      PHE  26  -2.807   0.144  -1.759
  210    HZ   PHE  26           HZ       PHE  26  -3.050  -2.225  -1.112
  211    H    LYS  27           H        LYS  27   1.352   1.752   3.752
  212    HA   LYS  27           HA       LYS  27   2.800  -0.446   2.751
  213   1HB   LYS  27          2HB       LYS  27   3.712   1.990   4.290
  214   2HB   LYS  27          1HB       LYS  27   4.810   0.832   3.551
  215   1HG   LYS  27          2HG       LYS  27   3.719   1.335   1.354
  216   2HG   LYS  27          1HG       LYS  27   2.847   2.638   2.164
  217   1HD   LYS  27          2HD       LYS  27   5.328   3.242   2.949
  218   2HD   LYS  27          1HD       LYS  27   5.709   2.431   1.429
  219   1HE   LYS  27          2HE       LYS  27   4.054   3.938   0.311
  220   2HE   LYS  27          1HE       LYS  27   3.912   4.817   1.832
  221   1HZ   LYS  27          1HZ       LYS  27   5.920   5.774   1.572
  222   2HZ   LYS  27          2HZ       LYS  27   5.629   5.482  -0.068
  223   3HZ   LYS  27          3HZ       LYS  27   6.609   4.426   0.817
  224    H    ALA  28           H        ALA  28   1.816   0.466   5.949
  225    HA   ALA  28           HA       ALA  28   3.664  -1.165   7.379
  226   1HB   ALA  28          1HB       ALA  28   1.567   0.667   8.008
  227   2HB   ALA  28          2HB       ALA  28   2.850   0.051   9.049
  228   3HB   ALA  28          3HB       ALA  28   1.323  -0.823   8.920
  229    H    LYS  29           H        LYS  29   0.307  -1.587   6.315
  230    HA   LYS  29           HA       LYS  29  -0.105  -4.119   7.470
  231   1HB   LYS  29          2HB       LYS  29  -1.413  -3.396   4.882
  232   2HB   LYS  29          1HB       LYS  29  -2.099  -4.180   6.298
  233   1HG   LYS  29          2HG       LYS  29  -1.447  -1.712   7.270
  234   2HG   LYS  29          1HG       LYS  29  -1.934  -1.350   5.612
  235   1HD   LYS  29          2HD       LYS  29  -3.959  -2.889   6.151
  236   2HD   LYS  29          1HD       LYS  29  -3.527  -2.568   7.831
  237   1HE   LYS  29          2HE       LYS  29  -3.610  -0.120   7.281
  238   2HE   LYS  29          1HE       LYS  29  -4.284  -0.566   5.713
  239   1HZ   LYS  29          1HZ       LYS  29  -5.684  -0.148   8.029
  240   2HZ   LYS  29          2HZ       LYS  29  -5.676  -1.830   7.852
  241   3HZ   LYS  29          3HZ       LYS  29  -6.278  -0.853   6.610
  242    H    ILE  30           H        ILE  30   1.253  -3.112   4.386
  243    HA   ILE  30           HA       ILE  30   1.407  -5.722   3.258
  244    HB   ILE  30           HB       ILE  30   3.025  -3.267   2.560
  245   1HG1  ILE  30          2HG1      ILE  30   0.478  -4.310   1.300
  246   2HG1  ILE  30          1HG1      ILE  30   0.554  -2.951   2.418
  247   1HG2  ILE  30          1HG2      ILE  30   2.408  -5.315   0.532
  248   2HG2  ILE  30          2HG2      ILE  30   3.562  -5.784   1.781
  249   3HG2  ILE  30          3HG2      ILE  30   3.873  -4.365   0.781
  250   1HD1  ILE  30          1HD1      ILE  30   1.909  -3.081  -0.265
  251   2HD1  ILE  30          2HD1      ILE  30   1.925  -1.713   0.849
  252   3HD1  ILE  30          3HD1      ILE  30   0.412  -2.222   0.099
  253    H    GLN  31           H        GLN  31   3.521  -3.774   5.263
  254    HA   GLN  31           HA       GLN  31   5.923  -5.146   4.935
  255   1HB   GLN  31          2HB       GLN  31   5.443  -2.988   6.246
  256   2HB   GLN  31          1HB       GLN  31   5.012  -4.044   7.585
  257   1HG   GLN  31          2HG       GLN  31   7.619  -4.522   6.272
  258   2HG   GLN  31          1HG       GLN  31   7.457  -3.066   7.251
  259   1HE2  GLN  31          1HE2      GLN  31   8.544  -3.515   9.048
  260   2HE2  GLN  31          2HE2      GLN  31   8.276  -4.887  10.063
  261    H    ASP  32           H        ASP  32   3.332  -5.713   7.307
  262    HA   ASP  32           HA       ASP  32   4.560  -7.960   8.509
  263   1HB   ASP  32          2HB       ASP  32   2.449  -6.415   9.170
  264   2HB   ASP  32          1HB       ASP  32   1.599  -7.810   8.510
  265    H    LYS  33           H        LYS  33   3.245  -7.596   5.459
  266    HA   LYS  33           HA       LYS  33   2.496 -10.430   5.265
  267   1HB   LYS  33          2HB       LYS  33   1.729  -7.982   3.736
  268   2HB   LYS  33          1HB       LYS  33   1.689  -9.536   2.914
  269   1HG   LYS  33          2HG       LYS  33   0.331 -10.222   5.085
  270   2HG   LYS  33          1HG       LYS  33  -0.023  -8.493   5.091
  271   1HD   LYS  33          2HD       LYS  33  -1.374  -8.648   3.306
  272   2HD   LYS  33          1HD       LYS  33  -0.281  -9.746   2.461
  273   1HE   LYS  33          2HE       LYS  33  -1.463 -11.059   4.728
  274   2HE   LYS  33          1HE       LYS  33  -2.719 -10.366   3.702
  275   1HZ   LYS  33          1HZ       LYS  33  -0.821 -11.595   2.055
  276   2HZ   LYS  33          2HZ       LYS  33  -2.435 -12.036   2.298
  277   3HZ   LYS  33          3HZ       LYS  33  -1.224 -12.693   3.278
  278    H    GLU  34           H        GLU  34   4.315  -7.930   3.487
  279    HA   GLU  34           HA       GLU  34   5.767 -10.051   2.079
  280   1HB   GLU  34          2HB       GLU  34   5.388  -7.115   1.568
  281   2HB   GLU  34          1HB       GLU  34   6.677  -8.011   0.776
  282   1HG   GLU  34          2HG       GLU  34   4.587  -7.767  -0.559
  283   2HG   GLU  34          1HG       GLU  34   5.133  -9.428  -0.332
  284    H    GLY  35           H        GLY  35   6.123  -7.855   4.654
  285   1HA   GLY  35          2HA       GLY  35   7.884  -7.457   6.078
  286   2HA   GLY  35          1HA       GLY  35   8.706  -8.808   5.312
  287    H    ILE  36           H        ILE  36   7.707  -5.519   4.353
  288    HA   ILE  36           HA       ILE  36  10.491  -4.985   3.589
  289    HB   ILE  36           HB       ILE  36   8.226  -4.055   1.849
  290   1HG1  ILE  36          2HG1      ILE  36   9.727  -6.669   1.742
  291   2HG1  ILE  36          1HG1      ILE  36   7.984  -6.412   1.727
  292   1HG2  ILE  36          1HG2      ILE  36  11.170  -4.451   1.330
  293   2HG2  ILE  36          2HG2      ILE  36  10.380  -2.909   1.662
  294   3HG2  ILE  36          3HG2      ILE  36   9.991  -3.801   0.191
  295   1HD1  ILE  36          1HD1      ILE  36   8.924  -7.085  -0.458
  296   2HD1  ILE  36          2HD1      ILE  36   9.838  -5.577  -0.488
  297   3HD1  ILE  36          3HD1      ILE  36   8.075  -5.541  -0.498
  298    HA   PRO  37           HA       PRO  37   9.791  -1.358   6.052
  299   1HB   PRO  37          2HB       PRO  37  12.031  -0.272   4.439
  300   2HB   PRO  37          1HB       PRO  37  11.873  -0.419   6.192
  301   1HG   PRO  37          2HG       PRO  37  13.484  -2.043   4.813
  302   2HG   PRO  37          1HG       PRO  37  12.550  -2.635   6.200
  303   1HD   PRO  37          2HD       PRO  37  12.042  -2.998   3.276
  304   2HD   PRO  37          1HD       PRO  37  11.816  -4.145   4.612
  305    HA   PRO  38           HA       PRO  38   7.146   1.072   3.436
  306   1HB   PRO  38          2HB       PRO  38   7.824   3.185   5.427
  307   2HB   PRO  38          1HB       PRO  38   6.241   2.644   4.855
  308   1HG   PRO  38          2HG       PRO  38   7.134   1.928   7.261
  309   2HG   PRO  38          1HG       PRO  38   6.226   0.789   6.251
  310   1HD   PRO  38          2HD       PRO  38   9.153   0.905   6.817
  311   2HD   PRO  38          1HD       PRO  38   8.104  -0.506   6.575
  312    H    ASP  39           H        ASP  39  10.207   2.354   4.646
  313    HA   ASP  39           HA       ASP  39  10.458   4.517   2.877
  314   1HB   ASP  39          2HB       ASP  39  11.913   3.605   4.977
  315   2HB   ASP  39          1HB       ASP  39  12.956   3.133   3.639
  316    H    GLN  40           H        GLN  40  10.530   1.201   2.260
  317    HA   GLN  40           HA       GLN  40  11.849   1.667  -0.334
  318   1HB   GLN  40          2HB       GLN  40  11.953  -0.724   1.491
  319   2HB   GLN  40          1HB       GLN  40  12.330  -0.857  -0.221
  320   1HG   GLN  40          2HG       GLN  40  13.970   1.104   0.272
  321   2HG   GLN  40          1HG       GLN  40  13.813   0.560   1.942
  322   1HE2  GLN  40          1HE2      GLN  40  13.931  -1.214  -1.122
  323   2HE2  GLN  40          2HE2      GLN  40  15.295  -2.188  -0.708
  324    H    GLN  41           H        GLN  41   8.932   1.418   0.926
  325    HA   GLN  41           HA       GLN  41   7.862  -0.501  -1.012
  326   1HB   GLN  41          2HB       GLN  41   6.805   0.738   1.500
  327   2HB   GLN  41          1HB       GLN  41   5.679   0.111   0.306
  328   1HG   GLN  41          2HG       GLN  41   7.173  -2.026   0.451
  329   2HG   GLN  41          1HG       GLN  41   7.641  -1.343   2.007
  330   1HE2  GLN  41          1HE2      GLN  41   6.623  -2.535   3.467
  331   2HE2  GLN  41          2HE2      GLN  41   4.927  -2.863   3.491
  332    H    ARG  42           H        ARG  42   7.351   0.299  -2.932
  333    HA   ARG  42           HA       ARG  42   6.257   3.030  -3.081
  334   1HB   ARG  42          2HB       ARG  42   8.457   2.503  -4.260
  335   2HB   ARG  42          1HB       ARG  42   7.513   1.509  -5.360
  336   1HG   ARG  42          2HG       ARG  42   6.420   3.336  -6.279
  337   2HG   ARG  42          1HG       ARG  42   6.789   4.374  -4.898
  338   1HD   ARG  42          2HD       ARG  42   8.440   5.186  -6.166
  339   2HD   ARG  42          1HD       ARG  42   9.280   3.680  -5.796
  340    HE   ARG  42           HE       ARG  42   7.707   3.144  -7.993
  341   1HH1  ARG  42          2HH1      ARG  42  10.287   5.345  -7.201
  342   2HH1  ARG  42          1HH1      ARG  42  10.895   5.420  -8.821
  343   1HH2  ARG  42          1HH2      ARG  42   8.499   3.235 -10.131
  344   2HH2  ARG  42          2HH2      ARG  42   9.878   4.221 -10.487
  345    H    LEU  43           H        LEU  43   4.106   2.970  -3.239
  346    HA   LEU  43           HA       LEU  43   2.838   0.773  -4.704
  347   1HB   LEU  43          2HB       LEU  43   1.384   2.862  -3.114
  348   2HB   LEU  43          1HB       LEU  43   0.855   1.246  -3.536
  349    HG   LEU  43           HG       LEU  43   2.832   2.064  -1.426
  350   1HD1  LEU  43          1HD1      LEU  43   0.914   1.939  -0.273
  351   2HD1  LEU  43          2HD1      LEU  43   1.171   0.197  -0.369
  352   3HD1  LEU  43          3HD1      LEU  43   0.104   0.996  -1.523
  353   1HD2  LEU  43          1HD2      LEU  43   2.336  -0.747  -2.396
  354   2HD2  LEU  43          2HD2      LEU  43   3.420  -0.243  -1.099
  355   3HD2  LEU  43          3HD2      LEU  43   3.776   0.201  -2.768
  356    H    ILE  44           H        ILE  44   2.440   1.132  -6.780
  357    HA   ILE  44           HA       ILE  44   1.794   3.870  -7.649
  358    HB   ILE  44           HB       ILE  44   2.598   1.610  -9.468
  359   1HG1  ILE  44          2HG1      ILE  44   4.394   1.908  -7.838
  360   2HG1  ILE  44          1HG1      ILE  44   4.889   2.526  -9.411
  361   1HG2  ILE  44          1HG2      ILE  44   3.415   3.729 -10.759
  362   2HG2  ILE  44          2HG2      ILE  44   2.256   4.561  -9.722
  363   3HG2  ILE  44          3HG2      ILE  44   1.713   3.269 -10.792
  364   1HD1  ILE  44          1HD1      ILE  44   4.660   3.888  -6.873
  365   2HD1  ILE  44          2HD1      ILE  44   3.794   4.726  -8.160
  366   3HD1  ILE  44          3HD1      ILE  44   5.510   4.364  -8.342
  367    H    PHE  45           H        PHE  45  -0.322   4.198  -7.831
  368    HA   PHE  45           HA       PHE  45  -1.981   2.035  -8.953
  369   1HB   PHE  45          2HB       PHE  45  -2.692   2.322  -6.708
  370   2HB   PHE  45          1HB       PHE  45  -2.621   4.078  -6.829
  371    HD1  PHE  45           HD1      PHE  45  -4.281   1.330  -8.748
  372    HD2  PHE  45           HD2      PHE  45  -4.673   5.082  -6.760
  373    HE1  PHE  45           HE1      PHE  45  -6.676   1.386  -9.332
  374    HE2  PHE  45           HE2      PHE  45  -7.068   5.144  -7.340
  375    HZ   PHE  45           HZ       PHE  45  -8.071   3.294  -8.628
  376    H    ALA  46           H        ALA  46  -3.112   2.473 -10.746
  377    HA   ALA  46           HA       ALA  46  -3.617   3.592 -12.684
  378   1HB   ALA  46          1HB       ALA  46  -5.546   4.608 -12.259
  379   2HB   ALA  46          2HB       ALA  46  -4.730   5.938 -11.438
  380   3HB   ALA  46          3HB       ALA  46  -5.167   4.483 -10.542
  381    H    GLY  47           H        GLY  47  -1.050   3.969 -12.504
  382   1HA   GLY  47          2HA       GLY  47   0.721   5.365 -12.955
  383   2HA   GLY  47          1HA       GLY  47  -0.463   6.281 -13.876
  384    H    LYS  48           H        LYS  48  -0.432   5.783 -10.382
  385    HA   LYS  48           HA       LYS  48   0.437   8.537  -9.959
  386   1HB   LYS  48          2HB       LYS  48  -2.259   7.436  -9.241
  387   2HB   LYS  48          1HB       LYS  48  -1.531   8.693  -8.251
  388   1HG   LYS  48          2HG       LYS  48  -1.415  10.175 -10.159
  389   2HG   LYS  48          1HG       LYS  48  -2.051   8.908 -11.210
  390   1HD   LYS  48          2HD       LYS  48  -4.133   8.888  -9.923
  391   2HD   LYS  48          1HD       LYS  48  -3.496  10.152  -8.870
  392   1HE   LYS  48          2HE       LYS  48  -5.040  10.969 -10.658
  393   2HE   LYS  48          1HE       LYS  48  -3.447  11.724 -10.662
  394   1HZ   LYS  48          1HZ       LYS  48  -4.316  11.042 -12.888
  395   2HZ   LYS  48          2HZ       LYS  48  -4.152   9.430 -12.401
  396   3HZ   LYS  48          3HZ       LYS  48  -2.788  10.424 -12.505
  397    H    GLN  49           H        GLN  49   2.067   8.364  -8.579
  398    HA   GLN  49           HA       GLN  49   2.456   6.124  -6.882
  399   1HB   GLN  49          2HB       GLN  49   4.319   7.460  -7.781
  400   2HB   GLN  49          1HB       GLN  49   3.799   8.833  -6.814
  401   1HG   GLN  49          2HG       GLN  49   4.239   7.576  -4.775
  402   2HG   GLN  49          1HG       GLN  49   4.736   6.183  -5.735
  403   1HE2  GLN  49          1HE2      GLN  49   6.254   7.324  -7.676
  404   2HE2  GLN  49          2HE2      GLN  49   7.652   8.063  -6.980
  405    H    LEU  50           H        LEU  50   2.064   5.831  -4.746
  406    HA   LEU  50           HA       LEU  50   0.212   7.684  -3.493
  407   1HB   LEU  50          2HB       LEU  50   1.056   4.871  -3.029
  408   2HB   LEU  50          1HB       LEU  50   0.454   5.773  -1.653
  409    HG   LEU  50           HG       LEU  50  -1.683   6.043  -2.620
  410   1HD1  LEU  50          1HD1      LEU  50  -2.088   5.139  -4.983
  411   2HD1  LEU  50          2HD1      LEU  50  -0.338   5.245  -5.179
  412   3HD1  LEU  50          3HD1      LEU  50  -1.276   6.696  -4.823
  413   1HD2  LEU  50          1HD2      LEU  50  -2.366   3.928  -2.376
  414   2HD2  LEU  50          2HD2      LEU  50  -0.666   3.570  -2.079
  415   3HD2  LEU  50          3HD2      LEU  50  -1.345   3.345  -3.690
  416    H    GLU  51           H        GLU  51   0.783   9.164  -2.053
  417    HA   GLU  51           HA       GLU  51   3.489   9.053  -0.924
  418   1HB   GLU  51          2HB       GLU  51   1.619  11.415  -0.846
  419   2HB   GLU  51          1HB       GLU  51   3.363  11.406  -0.625
  420   1HG   GLU  51          2HG       GLU  51   2.951  10.329  -3.160
  421   2HG   GLU  51          1HG       GLU  51   1.816  11.672  -3.037
  422    H    ASP  52           H        ASP  52   3.829   9.561   1.315
  423    HA   ASP  52           HA       ASP  52   1.969   8.273   3.034
  424   1HB   ASP  52          2HB       ASP  52   4.531   9.783   3.493
  425   2HB   ASP  52          1HB       ASP  52   3.563   9.191   4.839
  426    H    GLY  53           H        GLY  53   1.762  11.257   1.692
  427   1HA   GLY  53          2HA       GLY  53   0.616  12.513   4.090
  428   2HA   GLY  53          1HA       GLY  53   1.087  13.357   2.623
  429    H    ARG  54           H        ARG  54  -0.303  10.869   1.282
  430    HA   ARG  54           HA       ARG  54  -2.973  12.103   1.307
  431   1HB   ARG  54          2HB       ARG  54  -1.289  11.490  -0.818
  432   2HB   ARG  54          1HB       ARG  54  -2.483  10.201  -0.840
  433   1HG   ARG  54          2HG       ARG  54  -3.568  11.696  -2.145
  434   2HG   ARG  54          1HG       ARG  54  -4.142  12.259  -0.573
  435   1HD   ARG  54          2HD       ARG  54  -2.055  13.783  -0.623
  436   2HD   ARG  54          1HD       ARG  54  -2.041  13.441  -2.352
  437    HE   ARG  54           HE       ARG  54  -3.769  14.903  -2.582
  438   1HH1  ARG  54          2HH1      ARG  54  -3.713  13.778   0.713
  439   2HH1  ARG  54          1HH1      ARG  54  -4.998  14.820   1.228
  440   1HH2  ARG  54          1HH2      ARG  54  -5.461  16.279  -1.916
  441   2HH2  ARG  54          2HH2      ARG  54  -5.991  16.242  -0.268
  442    H    THR  55           H        THR  55  -4.648  10.322   0.437
  443    HA   THR  55           HA       THR  55  -4.259   7.836   1.950
  444    HB   THR  55           HB       THR  55  -6.668   8.000   2.697
  445    HG1  THR  55           HG1      THR  55  -6.608  10.754   2.565
  446   1HG2  THR  55          1HG2      THR  55  -4.327   9.301   3.758
  447   2HG2  THR  55          2HG2      THR  55  -5.627   8.472   4.612
  448   3HG2  THR  55          3HG2      THR  55  -5.783  10.183   4.216
  449    H    LEU  56           H        LEU  56  -6.067   6.238   1.437
  450    HA   LEU  56           HA       LEU  56  -6.066   5.623  -1.262
  451   1HB   LEU  56          2HB       LEU  56  -8.282   4.820   0.610
  452   2HB   LEU  56          1HB       LEU  56  -7.670   3.938  -0.777
  453    HG   LEU  56           HG       LEU  56  -6.457   4.230   1.948
  454   1HD1  LEU  56          1HD1      LEU  56  -7.107   1.930   0.119
  455   2HD1  LEU  56          2HD1      LEU  56  -7.843   2.320   1.673
  456   3HD1  LEU  56          3HD1      LEU  56  -6.172   1.762   1.605
  457   1HD2  LEU  56          1HD2      LEU  56  -4.680   4.852   0.428
  458   2HD2  LEU  56          2HD2      LEU  56  -5.006   3.436  -0.572
  459   3HD2  LEU  56          3HD2      LEU  56  -4.388   3.234   1.067
  460    H    SER  57           H        SER  57  -8.637   7.190   0.627
  461    HA   SER  57           HA       SER  57 -10.488   7.494  -1.439
  462   1HB   SER  57          2HB       SER  57 -11.454   9.309  -0.047
  463   2HB   SER  57          1HB       SER  57 -11.096   7.860   0.892
  464    HG   SER  57           HG       SER  57  -9.064   8.944   1.432
  465    H    ASP  58           H        ASP  58  -7.791   9.544  -0.448
  466    HA   ASP  58           HA       ASP  58  -8.328  11.773  -2.036
  467   1HB   ASP  58          2HB       ASP  58  -5.707  10.602  -1.095
  468   2HB   ASP  58          1HB       ASP  58  -5.826  12.148  -1.931
  469    H    TYR  59           H        TYR  59  -7.077   8.645  -2.872
  470    HA   TYR  59           HA       TYR  59  -6.378   9.566  -5.566
  471   1HB   TYR  59          2HB       TYR  59  -5.803   6.996  -4.090
  472   2HB   TYR  59          1HB       TYR  59  -5.451   7.220  -5.800
  473    HD1  TYR  59           HD1      TYR  59  -3.881   7.055  -2.821
  474    HD2  TYR  59           HD2      TYR  59  -4.270   9.773  -6.082
  475    HE1  TYR  59           HE1      TYR  59  -1.709   8.060  -2.235
  476    HE2  TYR  59           HE2      TYR  59  -2.099  10.786  -5.505
  477    HH   TYR  59           HH       TYR  59   0.091   9.818  -4.176
  478    H    ASN  60           H        ASN  60  -9.114   8.838  -4.187
  479    HA   ASN  60           HA       ASN  60 -11.102   7.909  -4.794
  480   1HB   ASN  60          2HB       ASN  60  -9.814   8.611  -7.408
  481   2HB   ASN  60          1HB       ASN  60 -11.360   7.768  -7.399
  482   1HD2  ASN  60          1HD2      ASN  60 -13.144   8.931  -7.203
  483   2HD2  ASN  60          2HD2      ASN  60 -13.213  10.595  -6.741
  484    H    ILE  61           H        ILE  61  -9.483   5.984  -3.888
  485    HA   ILE  61           HA       ILE  61  -9.281   3.830  -5.823
  486    HB   ILE  61           HB       ILE  61  -8.726   3.773  -2.855
  487   1HG1  ILE  61          2HG1      ILE  61  -6.923   4.310  -5.220
  488   2HG1  ILE  61          1HG1      ILE  61  -7.251   5.378  -3.858
  489   1HG2  ILE  61          1HG2      ILE  61  -7.598   1.906  -4.909
  490   2HG2  ILE  61          2HG2      ILE  61  -9.170   1.603  -4.168
  491   3HG2  ILE  61          3HG2      ILE  61  -7.724   1.696  -3.162
  492   1HD1  ILE  61          1HD1      ILE  61  -6.230   3.433  -2.458
  493   2HD1  ILE  61          2HD1      ILE  61  -5.184   4.566  -3.315
  494   3HD1  ILE  61          3HD1      ILE  61  -5.508   2.974  -4.001
  495    H    GLN  62           H        GLN  62 -10.520   1.982  -5.872
  496    HA   GLN  62           HA       GLN  62 -13.037   2.117  -4.384
  497   1HB   GLN  62          2HB       GLN  62 -12.382   0.245  -6.655
  498   2HB   GLN  62          1HB       GLN  62 -13.970   0.700  -6.052
  499   1HG   GLN  62          2HG       GLN  62 -12.396   2.973  -6.960
  500   2HG   GLN  62          1HG       GLN  62 -12.696   1.781  -8.222
  501   1HE2  GLN  62          1HE2      GLN  62 -13.727   4.370  -8.270
  502   2HE2  GLN  62          2HE2      GLN  62 -15.447   4.282  -8.132
  503    H    LYS  63           H        LYS  63 -13.978  -0.209  -3.982
  504    HA   LYS  63           HA       LYS  63 -12.188  -1.452  -2.112
  505   1HB   LYS  63          2HB       LYS  63 -14.132  -2.929  -1.633
  506   2HB   LYS  63          1HB       LYS  63 -14.499  -1.215  -1.493
  507   1HG   LYS  63          2HG       LYS  63 -15.057  -2.003  -4.157
  508   2HG   LYS  63          1HG       LYS  63 -15.790  -3.185  -3.070
  509   1HD   LYS  63          2HD       LYS  63 -17.011  -1.490  -1.924
  510   2HD   LYS  63          1HD       LYS  63 -16.122  -0.208  -2.751
  511   1HE   LYS  63          2HE       LYS  63 -17.120  -1.536  -4.870
  512   2HE   LYS  63          1HE       LYS  63 -18.380  -1.867  -3.682
  513   1HZ   LYS  63          1HZ       LYS  63 -18.152   0.389  -5.192
  514   2HZ   LYS  63          2HZ       LYS  63 -17.570   0.877  -3.680
  515   3HZ   LYS  63          3HZ       LYS  63 -19.119   0.211  -3.814
  516    H    GLU  64           H        GLU  64 -12.407  -1.764  -5.366
  517    HA   GLU  64           HA       GLU  64 -11.518  -4.565  -5.250
  518   1HB   GLU  64          2HB       GLU  64 -13.528  -3.288  -7.048
  519   2HB   GLU  64          1HB       GLU  64 -12.504  -4.554  -7.710
  520   1HG   GLU  64          2HG       GLU  64 -13.716  -5.215  -5.130
  521   2HG   GLU  64          1HG       GLU  64 -14.872  -4.954  -6.437
  522    H    SER  65           H        SER  65 -10.424  -1.610  -5.615
  523    HA   SER  65           HA       SER  65  -9.080  -1.652  -8.118
  524   1HB   SER  65          2HB       SER  65  -8.198  -0.096  -5.688
  525   2HB   SER  65          1HB       SER  65  -7.966   0.316  -7.387
  526    HG   SER  65           HG       SER  65  -9.902   1.144  -7.444
  527    H    THR  66           H        THR  66  -6.800  -1.858  -8.484
  528    HA   THR  66           HA       THR  66  -5.489  -3.689  -6.581
  529    HB   THR  66           HB       THR  66  -5.100  -3.592  -9.579
  530    HG1  THR  66           HG1      THR  66  -6.928  -4.695  -9.455
  531   1HG2  THR  66          1HG2      THR  66  -3.475  -5.165  -9.373
  532   2HG2  THR  66          2HG2      THR  66  -4.214  -5.898  -7.949
  533   3HG2  THR  66          3HG2      THR  66  -3.274  -4.413  -7.790
  534    H    ILE  67           H        ILE  67  -3.394  -3.294  -6.000
  535    HA   ILE  67           HA       ILE  67  -2.143  -0.878  -7.133
  536    HB   ILE  67           HB       ILE  67  -1.993  -1.839  -4.274
  537   1HG1  ILE  67          2HG1      ILE  67  -2.997   0.660  -4.132
  538   2HG1  ILE  67          1HG1      ILE  67  -3.657   0.167  -5.689
  539   1HG2  ILE  67          1HG2      ILE  67   0.101  -0.843  -4.983
  540   2HG2  ILE  67          2HG2      ILE  67  -0.740   0.233  -3.867
  541   3HG2  ILE  67          3HG2      ILE  67  -0.757   0.570  -5.598
  542   1HD1  ILE  67          1HD1      ILE  67  -5.337  -0.545  -4.360
  543   2HD1  ILE  67          2HD1      ILE  67  -4.282  -0.797  -2.970
  544   3HD1  ILE  67          3HD1      ILE  67  -4.319  -1.983  -4.275
  545    H    HIS  68           H        HIS  68   0.056  -0.919  -7.508
  546    HA   HIS  68           HA       HIS  68   1.273  -3.589  -7.452
  547   1HB   HIS  68          2HB       HIS  68   1.836  -1.137  -9.118
  548   2HB   HIS  68          1HB       HIS  68   2.918  -2.526  -9.082
  549    HD1  HIS  68           HD1      HIS  68   2.091  -4.703 -10.224
  550    HD2  HIS  68           HD2      HIS  68  -0.532  -1.496 -10.552
  551    HE1  HIS  68           HE1      HIS  68   0.421  -5.377 -11.979
  552    HE2  HIS  68           HE2      HIS  68  -1.169  -3.429 -12.147
  553    H    LEU  69           H        LEU  69   3.121  -4.007  -6.366
  554    HA   LEU  69           HA       LEU  69   4.155  -1.863  -4.653
  555   1HB   LEU  69          2HB       LEU  69   3.389  -3.897  -3.531
  556   2HB   LEU  69          1HB       LEU  69   4.504  -4.858  -4.484
  557    HG   LEU  69           HG       LEU  69   6.275  -3.199  -3.372
  558   1HD1  LEU  69          1HD1      LEU  69   3.868  -3.134  -1.603
  559   2HD1  LEU  69          2HD1      LEU  69   4.972  -1.831  -2.045
  560   3HD1  LEU  69          3HD1      LEU  69   5.486  -3.074  -0.903
  561   1HD2  LEU  69          1HD2      LEU  69   6.836  -4.945  -1.894
  562   2HD2  LEU  69          2HD2      LEU  69   6.078  -5.729  -3.281
  563   3HD2  LEU  69          3HD2      LEU  69   5.165  -5.500  -1.788
  564    H    VAL  70           H        VAL  70   6.141  -1.048  -4.913
  565    HA   VAL  70           HA       VAL  70   8.089  -2.535  -6.530
  566    HB   VAL  70           HB       VAL  70   8.163   0.370  -6.958
  567   1HG1  VAL  70          1HG1      VAL  70   9.033  -2.025  -8.211
  568   2HG1  VAL  70          2HG1      VAL  70   9.418  -0.358  -8.636
  569   3HG1  VAL  70          3HG1      VAL  70   8.013  -1.147  -9.351
  570   1HG2  VAL  70          1HG2      VAL  70   6.313   0.511  -8.466
  571   2HG2  VAL  70          2HG2      VAL  70   5.707  -0.082  -6.920
  572   3HG2  VAL  70          3HG2      VAL  70   5.947  -1.203  -8.261
  573    H    LEU  71           H        LEU  71  10.027  -2.619  -5.601
  574    HA   LEU  71           HA       LEU  71  10.544  -1.461  -3.091
  575   1HB   LEU  71          2HB       LEU  71  11.767  -3.349  -4.777
  576   2HB   LEU  71          1HB       LEU  71  12.975  -2.113  -4.492
  577    HG   LEU  71           HG       LEU  71  12.085  -2.518  -1.963
  578   1HD1  LEU  71          1HD1      LEU  71  10.881  -4.579  -3.328
  579   2HD1  LEU  71          2HD1      LEU  71  11.197  -4.530  -1.593
  580   3HD1  LEU  71          3HD1      LEU  71  12.339  -5.327  -2.675
  581   1HD2  LEU  71          1HD2      LEU  71  14.134  -3.640  -1.579
  582   2HD2  LEU  71          2HD2      LEU  71  14.422  -2.507  -2.900
  583   3HD2  LEU  71          3HD2      LEU  71  14.206  -4.224  -3.242
  584    H    ARG  72           H        ARG  72  11.168   0.523  -2.559
  585    HA   ARG  72           HA       ARG  72  12.073   2.330  -4.671
  586   1HB   ARG  72          2HB       ARG  72  10.265   3.214  -3.402
  587   2HB   ARG  72          1HB       ARG  72  11.035   2.789  -1.879
  588   1HG   ARG  72          2HG       ARG  72  11.310   5.098  -2.062
  589   2HG   ARG  72          1HG       ARG  72  12.870   4.428  -2.540
  590   1HD   ARG  72          2HD       ARG  72  12.685   5.184  -4.646
  591   2HD   ARG  72          1HD       ARG  72  10.975   4.765  -4.748
  592    HE   ARG  72           HE       ARG  72  12.030   7.325  -4.270
  593   1HH1  ARG  72          2HH1      ARG  72   9.511   5.205  -3.134
  594   2HH1  ARG  72          1HH1      ARG  72   8.461   6.496  -2.656
  595   1HH2  ARG  72          1HH2      ARG  72  10.654   9.033  -3.643
  596   2HH2  ARG  72          2HH2      ARG  72   9.110   8.673  -2.947
  597    H    LEU  73           H        LEU  73  14.194   2.430  -4.980
  598    HA   LEU  73           HA       LEU  73  16.414   2.746  -4.582
  599   1HB   LEU  73          2HB       LEU  73  15.128   4.025  -2.432
  600   2HB   LEU  73          1HB       LEU  73  16.424   3.083  -1.723
  601    HG   LEU  73           HG       LEU  73  16.592   5.374  -3.642
  602   1HD1  LEU  73          1HD1      LEU  73  16.752   5.557  -1.102
  603   2HD1  LEU  73          2HD1      LEU  73  18.034   6.306  -2.053
  604   3HD1  LEU  73          3HD1      LEU  73  18.313   4.754  -1.265
  605   1HD2  LEU  73          1HD2      LEU  73  18.052   4.144  -4.848
  606   2HD2  LEU  73          2HD2      LEU  73  18.358   3.012  -3.530
  607   3HD2  LEU  73          3HD2      LEU  73  19.153   4.586  -3.544
  608    H    ARG  74           H        ARG  74  18.008   1.290  -4.366
  609    HA   ARG  74           HA       ARG  74  17.618  -1.332  -3.748
  610   1HB   ARG  74          2HB       ARG  74  19.831   0.289  -4.376
  611   2HB   ARG  74          1HB       ARG  74  20.283  -0.597  -2.925
  612   1HG   ARG  74          2HG       ARG  74  20.083  -2.663  -3.972
  613   2HG   ARG  74          1HG       ARG  74  19.093  -2.010  -5.279
  614   1HD   ARG  74          2HD       ARG  74  21.334  -2.494  -6.078
  615   2HD   ARG  74          1HD       ARG  74  21.033  -0.757  -6.108
  616    HE   ARG  74           HE       ARG  74  22.758  -0.497  -4.646
  617   1HH1  ARG  74          2HH1      ARG  74  21.615  -3.779  -4.430
  618   2HH1  ARG  74          1HH1      ARG  74  22.857  -4.278  -3.330
  619   1HH2  ARG  74          1HH2      ARG  74  24.398  -1.140  -3.198
  620   2HH2  ARG  74          2HH2      ARG  74  24.439  -2.776  -2.628
  621    H    GLY  75           H        GLY  75  18.374  -2.673  -1.955
  622   1HA   GLY  75          2HA       GLY  75  17.858  -1.335   0.621
  623   2HA   GLY  75          1HA       GLY  75  17.568  -3.036   0.290
  624    H    GLY  76           HN       GLY  76  18.804  -3.846   1.953
  625   1HA   GLY  76          2HA       GLY  76  21.492  -4.364   1.490
  626   2HA   GLY  76          1HA       GLY  76  21.436  -2.957   2.542
  Start of MODEL    3
    1   2H    MET   1          2H        MET   1 -12.505  -1.523   3.390
    2   3H    MET   1          3H        MET   1 -12.884  -3.162   3.567
    3   1H    MET   1          1H        MET   1 -14.113  -2.035   3.278
    4    HA   MET   1           HA       MET   1 -13.823  -3.027   1.231
    5   1HB   MET   1          2HB       MET   1 -13.237  -1.246  -0.129
    6   2HB   MET   1          1HB       MET   1 -13.546  -0.436   1.399
    7   1HG   MET   1          2HG       MET   1 -11.565   0.512   1.145
    8   2HG   MET   1          1HG       MET   1 -10.875  -1.056   1.551
    9   1HE   MET   1          1HE       MET   1  -9.703   1.238  -1.854
   10   2HE   MET   1          2HE       MET   1 -10.246   1.646  -0.227
   11   3HE   MET   1          3HE       MET   1 -11.413   1.540  -1.545
   12    H    GLN   2           H        GLN   2 -12.674  -4.318  -0.125
   13    HA   GLN   2           HA       GLN   2  -9.985  -5.055   0.776
   14   1HB   GLN   2          2HB       GLN   2 -12.102  -6.456  -0.821
   15   2HB   GLN   2          1HB       GLN   2 -10.430  -6.994  -0.904
   16   1HG   GLN   2          2HG       GLN   2 -10.402  -7.408   1.470
   17   2HG   GLN   2          1HG       GLN   2 -12.033  -6.757   1.631
   18   1HE2  GLN   2          1HE2      GLN   2 -13.505  -8.261   1.863
   19   2HE2  GLN   2          2HE2      GLN   2 -13.489  -9.832   1.145
   20    H    VAL   3           H        VAL   3  -8.269  -5.362  -0.719
   21    HA   VAL   3           HA       VAL   3  -8.597  -4.130  -3.355
   22    HB   VAL   3           HB       VAL   3  -6.693  -2.706  -3.122
   23   1HG1  VAL   3          1HG1      VAL   3  -8.738  -1.727  -2.319
   24   2HG1  VAL   3          2HG1      VAL   3  -7.413  -1.202  -1.282
   25   3HG1  VAL   3          3HG1      VAL   3  -8.517  -2.463  -0.733
   26   1HG2  VAL   3          1HG2      VAL   3  -5.422  -4.304  -1.656
   27   2HG2  VAL   3          2HG2      VAL   3  -6.345  -3.675  -0.292
   28   3HG2  VAL   3          3HG2      VAL   3  -5.284  -2.604  -1.206
   29    H    PHE   4           H        PHE   4  -6.732  -4.549  -4.790
   30    HA   PHE   4           HA       PHE   4  -5.441  -7.109  -4.109
   31   1HB   PHE   4          2HB       PHE   4  -6.142  -6.069  -6.862
   32   2HB   PHE   4          1HB       PHE   4  -5.445  -7.641  -6.486
   33    HD1  PHE   4           HD1      PHE   4  -6.798  -9.356  -5.341
   34    HD2  PHE   4           HD2      PHE   4  -8.473  -5.651  -6.627
   35    HE1  PHE   4           HE1      PHE   4  -9.061 -10.310  -5.130
   36    HE2  PHE   4           HE2      PHE   4 -10.739  -6.598  -6.417
   37    HZ   PHE   4           HZ       PHE   4 -11.034  -8.930  -5.667
   38    H    LEU   5           H        LEU   5  -3.315  -7.011  -3.838
   39    HA   LEU   5           HA       LEU   5  -1.832  -4.835  -5.157
   40   1HB   LEU   5          2HB       LEU   5  -2.002  -5.145  -2.534
   41   2HB   LEU   5          1HB       LEU   5  -0.719  -6.307  -2.816
   42    HG   LEU   5           HG       LEU   5   0.247  -4.173  -4.183
   43   1HD1  LEU   5          1HD1      LEU   5  -1.881  -3.024  -3.004
   44   2HD1  LEU   5          2HD1      LEU   5  -0.386  -2.166  -3.377
   45   3HD1  LEU   5          3HD1      LEU   5  -0.664  -2.786  -1.749
   46   1HD2  LEU   5          1HD2      LEU   5   1.798  -5.042  -2.797
   47   2HD2  LEU   5          2HD2      LEU   5   0.637  -5.320  -1.498
   48   3HD2  LEU   5          3HD2      LEU   5   1.309  -3.709  -1.750
   49    H    LYS   6           H        LYS   6  -0.102  -5.311  -6.410
   50    HA   LYS   6           HA       LYS   6   0.549  -8.165  -6.740
   51   1HB   LYS   6          2HB       LYS   6   1.292  -6.213  -8.851
   52   2HB   LYS   6          1HB       LYS   6   0.735  -7.874  -9.000
   53   1HG   LYS   6          2HG       LYS   6  -1.467  -6.578  -7.991
   54   2HG   LYS   6          1HG       LYS   6  -0.763  -5.385  -9.085
   55   1HD   LYS   6          2HD       LYS   6  -1.317  -8.248  -9.849
   56   2HD   LYS   6          1HD       LYS   6  -2.435  -6.915 -10.147
   57   1HE   LYS   6          2HE       LYS   6  -0.541  -5.780 -11.383
   58   2HE   LYS   6          1HE       LYS   6   0.325  -7.312 -11.280
   59   1HZ   LYS   6          1HZ       LYS   6  -0.698  -7.691 -13.227
   60   2HZ   LYS   6          2HZ       LYS   6  -1.931  -6.569 -12.942
   61   3HZ   LYS   6          3HZ       LYS   6  -2.020  -8.115 -12.261
   62    H    THR   7           H        THR   7   2.650  -8.836  -6.691
   63    HA   THR   7           HA       THR   7   4.608  -6.853  -5.766
   64    HB   THR   7           HB       THR   7   5.643  -8.474  -4.543
   65    HG1  THR   7           HG1      THR   7   5.083 -10.840  -5.419
   66   1HG2  THR   7          1HG2      THR   7   2.925  -9.736  -4.921
   67   2HG2  THR   7          2HG2      THR   7   3.311  -8.440  -3.789
   68   3HG2  THR   7          3HG2      THR   7   4.028 -10.037  -3.578
   69    H    LEU   8           H        LEU   8   6.954  -8.182  -6.317
   70    HA   LEU   8           HA       LEU   8   7.337  -7.515  -9.067
   71   1HB   LEU   8          2HB       LEU   8   9.365  -9.042  -7.494
   72   2HB   LEU   8          1HB       LEU   8   9.604  -7.769  -8.676
   73    HG   LEU   8           HG       LEU   8   8.907  -7.539  -5.775
   74   1HD1  LEU   8          1HD1      LEU   8  10.631  -5.521  -6.801
   75   2HD1  LEU   8          2HD1      LEU   8  11.188  -7.090  -7.385
   76   3HD1  LEU   8          3HD1      LEU   8  10.995  -6.810  -5.655
   77   1HD2  LEU   8          1HD2      LEU   8   7.350  -6.009  -6.282
   78   2HD2  LEU   8          2HD2      LEU   8   7.894  -5.865  -7.954
   79   3HD2  LEU   8          3HD2      LEU   8   8.722  -4.974  -6.677
   80    H    THR   9           H        THR   9   6.088 -10.228  -7.646
   81    HA   THR   9           HA       THR   9   7.219 -12.084  -9.610
   82    HB   THR   9           HB       THR   9   6.292 -13.870  -8.324
   83    HG1  THR   9           HG1      THR   9   4.923 -13.424  -6.522
   84   1HG2  THR   9          1HG2      THR   9   8.278 -13.241  -7.291
   85   2HG2  THR   9          2HG2      THR   9   7.128 -13.217  -5.956
   86   3HG2  THR   9          3HG2      THR   9   7.615 -11.708  -6.726
   87    H    GLY  10           H        GLY  10   4.327 -10.327  -8.878
   88   1HA   GLY  10          2HA       GLY  10   2.655  -9.913 -10.507
   89   2HA   GLY  10          1HA       GLY  10   3.114 -11.401 -11.319
   90    H    LYS  11           H        LYS  11   2.626 -11.314  -7.873
   91    HA   LYS  11           HA       LYS  11   0.364 -13.134  -8.190
   92   1HB   LYS  11          2HB       LYS  11   0.696 -13.695  -5.858
   93   2HB   LYS  11          1HB       LYS  11   2.236 -13.776  -6.701
   94   1HG   LYS  11          2HG       LYS  11   3.103 -12.427  -5.182
   95   2HG   LYS  11          1HG       LYS  11   2.002 -11.154  -5.712
   96   1HD   LYS  11          2HD       LYS  11   1.753 -11.494  -3.335
   97   2HD   LYS  11          1HD       LYS  11   0.292 -12.038  -4.161
   98   1HE   LYS  11          2HE       LYS  11   0.843 -13.661  -2.497
   99   2HE   LYS  11          1HE       LYS  11   1.197 -14.360  -4.078
  100   1HZ   LYS  11          1HZ       LYS  11   2.912 -14.634  -2.225
  101   2HZ   LYS  11          2HZ       LYS  11   3.302 -13.013  -2.507
  102   3HZ   LYS  11          3HZ       LYS  11   3.470 -14.150  -3.747
  103    H    THR  12           H        THR  12  -1.559 -12.865  -6.869
  104    HA   THR  12           HA       THR  12  -2.183 -10.018  -6.447
  105    HB   THR  12           HB       THR  12  -4.237 -12.185  -6.838
  106    HG1  THR  12           HG1      THR  12  -3.286 -12.299  -8.772
  107   1HG2  THR  12          1HG2      THR  12  -4.334  -9.215  -7.368
  108   2HG2  THR  12          2HG2      THR  12  -4.939  -9.992  -5.904
  109   3HG2  THR  12          3HG2      THR  12  -5.678 -10.353  -7.465
  110    H    VAL  13           H        VAL  13  -2.424  -9.381  -4.420
  111    HA   VAL  13           HA       VAL  13  -3.152 -11.383  -2.383
  112    HB   VAL  13           HB       VAL  13  -2.178  -9.566  -0.795
  113   1HG1  VAL  13          1HG1      VAL  13   0.055 -10.553  -0.999
  114   2HG1  VAL  13          2HG1      VAL  13  -0.386 -11.221  -2.570
  115   3HG1  VAL  13          3HG1      VAL  13  -1.209 -11.778  -1.113
  116   1HG2  VAL  13          1HG2      VAL  13  -1.936  -8.084  -2.997
  117   2HG2  VAL  13          2HG2      VAL  13  -0.362  -8.878  -3.031
  118   3HG2  VAL  13          3HG2      VAL  13  -0.840  -7.930  -1.623
  119    H    THR  14           H        THR  14  -4.764 -10.912  -0.900
  120    HA   THR  14           HA       THR  14  -6.451  -8.607  -1.603
  121    HB   THR  14           HB       THR  14  -8.055 -10.147  -0.031
  122    HG1  THR  14           HG1      THR  14  -6.440 -11.820  -0.003
  123   1HG2  THR  14          1HG2      THR  14  -8.158 -11.069  -2.777
  124   2HG2  THR  14          2HG2      THR  14  -7.948  -9.320  -2.684
  125   3HG2  THR  14          3HG2      THR  14  -9.315 -10.090  -1.875
  126    H    ILE  15           H        ILE  15  -5.850  -6.967  -0.302
  127    HA   ILE  15           HA       ILE  15  -5.562  -7.495   2.577
  128    HB   ILE  15           HB       ILE  15  -4.706  -5.089   0.961
  129   1HG1  ILE  15          2HG1      ILE  15  -3.198  -7.400   2.184
  130   2HG1  ILE  15          1HG1      ILE  15  -3.235  -6.908   0.493
  131   1HG2  ILE  15          1HG2      ILE  15  -5.460  -4.755   3.400
  132   2HG2  ILE  15          2HG2      ILE  15  -3.901  -4.097   2.903
  133   3HG2  ILE  15          3HG2      ILE  15  -3.972  -5.603   3.817
  134   1HD1  ILE  15          1HD1      ILE  15  -2.266  -4.806   2.241
  135   2HD1  ILE  15          2HD1      ILE  15  -1.559  -5.482   0.774
  136   3HD1  ILE  15          3HD1      ILE  15  -1.295  -6.276   2.327
  137    H    GLU  16           H        GLU  16  -6.797  -6.401   4.087
  138    HA   GLU  16           HA       GLU  16  -9.198  -5.120   3.009
  139   1HB   GLU  16          2HB       GLU  16  -9.747  -6.909   4.455
  140   2HB   GLU  16          1HB       GLU  16  -8.564  -6.407   5.654
  141   1HG   GLU  16          2HG       GLU  16  -9.957  -4.314   5.951
  142   2HG   GLU  16          1HG       GLU  16 -11.198  -5.129   5.000
  143    H    VAL  17           H        VAL  17  -9.512  -3.021   3.150
  144    HA   VAL  17           HA       VAL  17  -8.250  -1.485   5.294
  145    HB   VAL  17           HB       VAL  17  -7.295   0.146   3.904
  146   1HG1  VAL  17          1HG1      VAL  17  -5.725  -1.052   2.516
  147   2HG1  VAL  17          2HG1      VAL  17  -6.785  -2.460   2.478
  148   3HG1  VAL  17          3HG1      VAL  17  -6.025  -1.969   3.991
  149   1HG2  VAL  17          1HG2      VAL  17  -8.893   0.637   2.290
  150   2HG2  VAL  17          2HG2      VAL  17  -8.998  -1.037   1.742
  151   3HG2  VAL  17          3HG2      VAL  17  -7.580  -0.066   1.345
  152    H    GLU  18           H        GLU  18  -9.136   0.829   5.285
  153    HA   GLU  18           HA       GLU  18 -11.977   0.759   4.500
  154   1HB   GLU  18          2HB       GLU  18 -10.646   1.737   7.001
  155   2HB   GLU  18          1HB       GLU  18 -12.175   2.440   6.489
  156   1HG   GLU  18          2HG       GLU  18 -13.283   0.744   7.366
  157   2HG   GLU  18          1HG       GLU  18 -12.384  -0.397   6.366
  158    HA   PRO  19           HA       PRO  19 -11.073   4.186   1.824
  159   1HB   PRO  19          2HB       PRO  19 -13.904   4.855   2.485
  160   2HB   PRO  19          1HB       PRO  19 -13.116   4.733   0.908
  161   1HG   PRO  19          2HG       PRO  19 -14.733   2.800   1.776
  162   2HG   PRO  19          1HG       PRO  19 -13.257   2.417   0.871
  163   1HD   PRO  19          2HD       PRO  19 -13.816   2.157   3.788
  164   2HD   PRO  19          1HD       PRO  19 -12.808   1.144   2.736
  165    H    SER  20           H        SER  20  -9.678   5.270   3.259
  166    HA   SER  20           HA       SER  20  -9.978   7.800   3.895
  167   1HB   SER  20          2HB       SER  20 -10.670   7.708   6.427
  168   2HB   SER  20          1HB       SER  20 -11.909   7.751   5.174
  169    HG   SER  20           HG       SER  20 -11.642   5.954   7.038
  170    H    ASP  21           H        ASP  21  -8.467   4.895   4.436
  171    HA   ASP  21           HA       ASP  21  -6.788   5.606   6.634
  172   1HB   ASP  21          2HB       ASP  21  -6.896   3.377   4.647
  173   2HB   ASP  21          1HB       ASP  21  -5.396   3.635   5.531
  174    H    THR  22           H        THR  22  -4.446   5.892   6.466
  175    HA   THR  22           HA       THR  22  -3.786   7.592   4.175
  176    HB   THR  22           HB       THR  22  -1.853   8.334   5.552
  177    HG1  THR  22           HG1      THR  22  -1.447   6.706   6.953
  178   1HG2  THR  22          1HG2      THR  22  -3.245   9.477   7.333
  179   2HG2  THR  22          2HG2      THR  22  -4.620   8.555   6.724
  180   3HG2  THR  22          3HG2      THR  22  -3.790   9.700   5.671
  181    H    VAL  23           H        VAL  23  -1.699   7.423   3.153
  182    HA   VAL  23           HA       VAL  23  -1.048   4.877   2.275
  183    HB   VAL  23           HB       VAL  23   0.598   7.403   2.308
  184   1HG1  VAL  23          1HG1      VAL  23   1.255   4.847   0.850
  185   2HG1  VAL  23          2HG1      VAL  23   2.074   5.413   2.307
  186   3HG1  VAL  23          3HG1      VAL  23   2.173   6.353   0.817
  187   1HG2  VAL  23          1HG2      VAL  23  -1.252   7.621   0.861
  188   2HG2  VAL  23          2HG2      VAL  23  -1.056   5.982   0.238
  189   3HG2  VAL  23          3HG2      VAL  23   0.118   7.229  -0.178
  190    H    GLU  24           H        GLU  24   0.288   6.747   4.949
  191    HA   GLU  24           HA       GLU  24   2.508   5.241   5.595
  192   1HB   GLU  24          2HB       GLU  24   0.658   7.004   7.079
  193   2HB   GLU  24          1HB       GLU  24   1.584   5.882   8.068
  194   1HG   GLU  24          2HG       GLU  24   3.465   6.934   6.344
  195   2HG   GLU  24          1HG       GLU  24   2.423   8.305   6.719
  196    H    ASN  25           H        ASN  25  -0.856   4.737   6.617
  197    HA   ASN  25           HA       ASN  25  -0.315   2.398   8.136
  198   1HB   ASN  25          2HB       ASN  25  -2.320   3.504   8.686
  199   2HB   ASN  25          1HB       ASN  25  -2.823   3.620   7.003
  200   1HD2  ASN  25          1HD2      ASN  25  -4.070   2.071   6.168
  201   2HD2  ASN  25          2HD2      ASN  25  -4.532   0.623   6.989
  202    H    PHE  26           H        PHE  26  -1.015   3.023   4.779
  203    HA   PHE  26           HA       PHE  26  -1.673   0.368   4.030
  204   1HB   PHE  26          2HB       PHE  26  -2.174   2.437   2.689
  205   2HB   PHE  26          1HB       PHE  26  -0.465   2.515   2.277
  206    HD1  PHE  26           HD1      PHE  26  -1.638  -0.829   2.589
  207    HD2  PHE  26           HD2      PHE  26  -1.450   2.484  -0.088
  208    HE1  PHE  26           HE1      PHE  26  -2.030  -2.349   0.687
  209    HE2  PHE  26           HE2      PHE  26  -1.843   0.971  -1.994
  210    HZ   PHE  26           HZ       PHE  26  -2.134  -1.447  -1.606
  211    H    LYS  27           H        LYS  27   1.344   2.233   3.937
  212    HA   LYS  27           HA       LYS  27   2.906   0.112   2.853
  213   1HB   LYS  27          2HB       LYS  27   4.030   2.380   4.475
  214   2HB   LYS  27          1HB       LYS  27   4.765   1.529   3.125
  215   1HG   LYS  27          2HG       LYS  27   2.339   2.742   2.242
  216   2HG   LYS  27          1HG       LYS  27   3.319   3.943   3.086
  217   1HD   LYS  27          2HD       LYS  27   4.425   2.137   0.948
  218   2HD   LYS  27          1HD       LYS  27   3.729   3.720   0.600
  219   1HE   LYS  27          2HE       LYS  27   5.391   4.513   2.468
  220   2HE   LYS  27          1HE       LYS  27   6.239   3.024   2.054
  221   1HZ   LYS  27          1HZ       LYS  27   5.595   4.282  -0.336
  222   2HZ   LYS  27          2HZ       LYS  27   7.129   4.088   0.350
  223   3HZ   LYS  27          3HZ       LYS  27   6.227   5.481   0.678
  224    H    ALA  28           H        ALA  28   2.066   1.155   6.084
  225    HA   ALA  28           HA       ALA  28   4.006  -0.344   7.493
  226   1HB   ALA  28          1HB       ALA  28   1.756   1.322   8.129
  227   2HB   ALA  28          2HB       ALA  28   3.159   0.914   9.117
  228   3HB   ALA  28          3HB       ALA  28   1.738  -0.131   9.128
  229    H    LYS  29           H        LYS  29   0.723  -1.063   6.407
  230    HA   LYS  29           HA       LYS  29   0.509  -3.576   7.699
  231   1HB   LYS  29          2HB       LYS  29  -0.944  -2.263   5.422
  232   2HB   LYS  29          1HB       LYS  29  -1.268  -3.941   5.837
  233   1HG   LYS  29          2HG       LYS  29  -2.289  -3.405   7.803
  234   2HG   LYS  29          1HG       LYS  29  -1.352  -1.925   8.015
  235   1HD   LYS  29          2HD       LYS  29  -2.748  -0.685   6.690
  236   2HD   LYS  29          1HD       LYS  29  -3.243  -2.077   5.725
  237   1HE   LYS  29          2HE       LYS  29  -4.059  -1.596   8.587
  238   2HE   LYS  29          1HE       LYS  29  -5.043  -1.185   7.181
  239   1HZ   LYS  29          1HZ       LYS  29  -4.194  -3.891   8.049
  240   2HZ   LYS  29          2HZ       LYS  29  -4.924  -3.578   6.556
  241   3HZ   LYS  29          3HZ       LYS  29  -5.770  -3.277   7.989
  242    H    ILE  30           H        ILE  30   1.344  -2.658   4.368
  243    HA   ILE  30           HA       ILE  30   1.731  -5.200   3.315
  244    HB   ILE  30           HB       ILE  30   3.287  -2.701   2.635
  245   1HG1  ILE  30          2HG1      ILE  30   0.885  -3.785   1.175
  246   2HG1  ILE  30          1HG1      ILE  30   0.716  -2.653   2.514
  247   1HG2  ILE  30          1HG2      ILE  30   3.239  -5.421   1.520
  248   2HG2  ILE  30          2HG2      ILE  30   4.487  -4.178   1.435
  249   3HG2  ILE  30          3HG2      ILE  30   3.109  -4.119   0.337
  250   1HD1  ILE  30          1HD1      ILE  30   0.749  -1.166   0.821
  251   2HD1  ILE  30          2HD1      ILE  30   1.702  -2.213  -0.231
  252   3HD1  ILE  30          3HD1      ILE  30   2.490  -1.305   1.060
  253    H    GLN  31           H        GLN  31   3.896  -3.187   5.228
  254    HA   GLN  31           HA       GLN  31   6.276  -4.587   4.890
  255   1HB   GLN  31          2HB       GLN  31   6.171  -2.442   6.048
  256   2HB   GLN  31          1HB       GLN  31   5.249  -3.170   7.356
  257   1HG   GLN  31          2HG       GLN  31   7.308  -4.738   7.575
  258   2HG   GLN  31          1HG       GLN  31   8.140  -3.463   6.685
  259   1HE2  GLN  31          1HE2      GLN  31   9.448  -3.184   8.565
  260   2HE2  GLN  31          2HE2      GLN  31   8.862  -2.269   9.908
  261    H    ASP  32           H        ASP  32   3.689  -5.090   7.261
  262    HA   ASP  32           HA       ASP  32   4.941  -7.332   8.499
  263   1HB   ASP  32          2HB       ASP  32   2.677  -5.720   8.991
  264   2HB   ASP  32          1HB       ASP  32   2.081  -7.370   8.822
  265    H    LYS  33           H        LYS  33   3.441  -6.964   5.526
  266    HA   LYS  33           HA       LYS  33   2.420  -9.694   5.411
  267   1HB   LYS  33          2HB       LYS  33   2.153  -7.257   3.719
  268   2HB   LYS  33          1HB       LYS  33   1.971  -8.823   2.939
  269   1HG   LYS  33          2HG       LYS  33   0.451  -8.625   5.406
  270   2HG   LYS  33          1HG       LYS  33  -0.004  -7.401   4.219
  271   1HD   LYS  33          2HD       LYS  33  -0.880  -8.921   2.797
  272   2HD   LYS  33          1HD       LYS  33   0.357 -10.126   3.160
  273   1HE   LYS  33          2HE       LYS  33  -1.921 -10.795   3.880
  274   2HE   LYS  33          1HE       LYS  33  -0.755 -10.731   5.201
  275   1HZ   LYS  33          1HZ       LYS  33  -3.085  -9.058   4.699
  276   2HZ   LYS  33          2HZ       LYS  33  -1.727  -8.281   5.341
  277   3HZ   LYS  33          3HZ       LYS  33  -2.423  -9.583   6.166
  278    H    GLU  34           H        GLU  34   4.868  -7.662   3.840
  279    HA   GLU  34           HA       GLU  34   6.026 -10.090   2.646
  280   1HB   GLU  34          2HB       GLU  34   6.272  -7.183   1.871
  281   2HB   GLU  34          1HB       GLU  34   7.261  -8.456   1.167
  282   1HG   GLU  34          2HG       GLU  34   4.736  -9.449   0.852
  283   2HG   GLU  34          1HG       GLU  34   4.490  -7.718   0.635
  284    H    GLY  35           H        GLY  35   6.443  -7.911   5.154
  285   1HA   GLY  35          2HA       GLY  35   8.116  -7.724   6.722
  286   2HA   GLY  35          1HA       GLY  35   8.938  -9.052   5.918
  287    H    ILE  36           H        ILE  36   8.073  -6.258   4.071
  288    HA   ILE  36           HA       ILE  36  10.918  -5.503   3.965
  289    HB   ILE  36           HB       ILE  36   8.757  -5.062   1.901
  290   1HG1  ILE  36          2HG1      ILE  36  11.148  -6.916   1.965
  291   2HG1  ILE  36          1HG1      ILE  36   9.451  -7.387   1.986
  292   1HG2  ILE  36          1HG2      ILE  36  11.001  -3.528   2.324
  293   2HG2  ILE  36          2HG2      ILE  36  10.098  -3.649   0.814
  294   3HG2  ILE  36          3HG2      ILE  36  11.517  -4.663   1.076
  295   1HD1  ILE  36          1HD1      ILE  36  10.280  -7.758  -0.202
  296   2HD1  ILE  36          2HD1      ILE  36  10.976  -6.140  -0.280
  297   3HD1  ILE  36          3HD1      ILE  36   9.225  -6.347  -0.272
  298    HA   PRO  37           HA       PRO  37   9.939  -1.721   6.058
  299   1HB   PRO  37          2HB       PRO  37  12.217  -0.678   4.457
  300   2HB   PRO  37          1HB       PRO  37  11.959  -0.641   6.205
  301   1HG   PRO  37          2HG       PRO  37  13.715  -2.327   5.113
  302   2HG   PRO  37          1HG       PRO  37  12.715  -2.813   6.495
  303   1HD   PRO  37          2HD       PRO  37  12.436  -3.520   3.605
  304   2HD   PRO  37          1HD       PRO  37  12.135  -4.513   5.046
  305    HA   PRO  38           HA       PRO  38   7.545   0.576   3.133
  306   1HB   PRO  38          2HB       PRO  38   7.426   2.970   4.449
  307   2HB   PRO  38          1HB       PRO  38   6.456   1.562   4.892
  308   1HG   PRO  38          2HG       PRO  38   9.009   2.562   6.096
  309   2HG   PRO  38          1HG       PRO  38   7.556   1.944   6.905
  310   1HD   PRO  38          2HD       PRO  38   9.758   0.428   6.575
  311   2HD   PRO  38          1HD       PRO  38   8.124  -0.265   6.510
  312    H    ASP  39           H        ASP  39  10.607   1.796   4.307
  313    HA   ASP  39           HA       ASP  39  10.928   3.998   2.615
  314   1HB   ASP  39          2HB       ASP  39  12.395   3.063   4.608
  315   2HB   ASP  39          1HB       ASP  39  13.291   2.299   3.298
  316    H    GLN  40           H        GLN  40  10.820   0.688   1.875
  317    HA   GLN  40           HA       GLN  40  11.983   1.215  -0.782
  318   1HB   GLN  40          2HB       GLN  40  12.078  -1.277   0.912
  319   2HB   GLN  40          1HB       GLN  40  12.405  -1.304  -0.816
  320   1HG   GLN  40          2HG       GLN  40  14.197   0.393  -0.414
  321   2HG   GLN  40          1HG       GLN  40  13.939   0.159   1.314
  322   1HE2  GLN  40          1HE2      GLN  40  16.388  -0.301   0.519
  323   2HE2  GLN  40          2HE2      GLN  40  16.739  -1.989   0.418
  324    H    GLN  41           H        GLN  41   9.151   1.189   0.524
  325    HA   GLN  41           HA       GLN  41   7.860  -0.719  -1.285
  326   1HB   GLN  41          2HB       GLN  41   6.973   0.755   1.170
  327   2HB   GLN  41          1HB       GLN  41   5.777   0.128   0.045
  328   1HG   GLN  41          2HG       GLN  41   6.751  -2.123   0.317
  329   2HG   GLN  41          1HG       GLN  41   7.862  -1.465   1.519
  330   1HE2  GLN  41          1HE2      GLN  41   7.212  -2.308   3.383
  331   2HE2  GLN  41          2HE2      GLN  41   5.605  -2.226   4.014
  332    H    ARG  42           H        ARG  42   7.561   0.101  -3.258
  333    HA   ARG  42           HA       ARG  42   6.582   2.869  -3.488
  334   1HB   ARG  42          2HB       ARG  42   8.770   1.825  -4.685
  335   2HB   ARG  42          1HB       ARG  42   7.556   1.472  -5.907
  336   1HG   ARG  42          2HG       ARG  42   7.225   4.162  -5.010
  337   2HG   ARG  42          1HG       ARG  42   8.913   3.892  -5.452
  338   1HD   ARG  42          2HD       ARG  42   8.209   3.019  -7.622
  339   2HD   ARG  42          1HD       ARG  42   6.520   3.272  -7.181
  340    HE   ARG  42           HE       ARG  42   6.780   5.534  -7.555
  341   1HH1  ARG  42          2HH1      ARG  42   9.872   3.937  -7.655
  342   2HH1  ARG  42          1HH1      ARG  42  10.704   5.305  -8.318
  343   1HH2  ARG  42          1HH2      ARG  42   7.863   7.341  -8.432
  344   2HH2  ARG  42          2HH2      ARG  42   9.560   7.239  -8.760
  345    H    LEU  43           H        LEU  43   4.425   2.833  -3.580
  346    HA   LEU  43           HA       LEU  43   3.094   0.719  -5.110
  347   1HB   LEU  43          2HB       LEU  43   1.622   2.774  -3.517
  348   2HB   LEU  43          1HB       LEU  43   1.174   1.117  -3.872
  349    HG   LEU  43           HG       LEU  43   3.380   1.917  -1.974
  350   1HD1  LEU  43          1HD1      LEU  43   1.855   1.314  -0.191
  351   2HD1  LEU  43          2HD1      LEU  43   0.590   0.955  -1.365
  352   3HD1  LEU  43          3HD1      LEU  43   1.165   2.610  -1.168
  353   1HD2  LEU  43          1HD2      LEU  43   3.126  -0.470  -1.245
  354   2HD2  LEU  43          2HD2      LEU  43   3.809  -0.250  -2.857
  355   3HD2  LEU  43          3HD2      LEU  43   2.121  -0.727  -2.672
  356    H    ILE  44           H        ILE  44   2.240   1.093  -7.043
  357    HA   ILE  44           HA       ILE  44   1.807   3.889  -7.869
  358    HB   ILE  44           HB       ILE  44   2.763   1.600  -9.591
  359   1HG1  ILE  44          2HG1      ILE  44   4.110   3.889  -8.231
  360   2HG1  ILE  44          1HG1      ILE  44   4.685   2.247  -8.497
  361   1HG2  ILE  44          1HG2      ILE  44   2.409   4.484 -10.379
  362   2HG2  ILE  44          2HG2      ILE  44   1.201   3.236 -10.686
  363   3HG2  ILE  44          3HG2      ILE  44   2.801   3.116 -11.421
  364   1HD1  ILE  44          1HD1      ILE  44   6.029   3.692  -9.798
  365   2HD1  ILE  44          2HD1      ILE  44   4.616   4.509 -10.466
  366   3HD1  ILE  44          3HD1      ILE  44   4.961   2.838 -10.912
  367    H    PHE  45           H        PHE  45  -0.261   4.317  -8.238
  368    HA   PHE  45           HA       PHE  45  -1.956   2.217  -9.404
  369   1HB   PHE  45          2HB       PHE  45  -2.716   2.157  -7.205
  370   2HB   PHE  45          1HB       PHE  45  -2.466   3.883  -6.964
  371    HD1  PHE  45           HD1      PHE  45  -4.377   1.911  -9.496
  372    HD2  PHE  45           HD2      PHE  45  -4.457   4.909  -6.465
  373    HE1  PHE  45           HE1      PHE  45  -6.761   2.320  -9.969
  374    HE2  PHE  45           HE2      PHE  45  -6.842   5.323  -6.931
  375    HZ   PHE  45           HZ       PHE  45  -7.996   4.027  -8.685
  376    H    ALA  46           H        ALA  46  -3.154   2.849 -11.093
  377    HA   ALA  46           HA       ALA  46  -3.787   4.168 -12.852
  378   1HB   ALA  46          1HB       ALA  46  -5.704   4.849 -11.921
  379   2HB   ALA  46          2HB       ALA  46  -4.891   6.402 -11.734
  380   3HB   ALA  46          3HB       ALA  46  -4.928   5.258 -10.392
  381    H    GLY  47           H        GLY  47  -1.095   4.462 -12.442
  382   1HA   GLY  47          2HA       GLY  47   0.666   5.836 -12.974
  383   2HA   GLY  47          1HA       GLY  47  -0.521   6.855 -13.775
  384    H    LYS  48           H        LYS  48  -0.527   6.106 -10.343
  385    HA   LYS  48           HA       LYS  48   0.482   8.786  -9.730
  386   1HB   LYS  48          2HB       LYS  48  -2.134   7.658  -8.718
  387   2HB   LYS  48          1HB       LYS  48  -1.369   9.113  -8.093
  388   1HG   LYS  48          2HG       LYS  48  -1.655   9.214 -10.969
  389   2HG   LYS  48          1HG       LYS  48  -3.202   8.954 -10.161
  390   1HD   LYS  48          2HD       LYS  48  -2.471  10.877  -8.611
  391   2HD   LYS  48          1HD       LYS  48  -1.278  11.235  -9.861
  392   1HE   LYS  48          2HE       LYS  48  -2.836  12.367 -10.967
  393   2HE   LYS  48          1HE       LYS  48  -3.724  10.861 -11.191
  394   1HZ   LYS  48          1HZ       LYS  48  -5.315  11.711  -9.930
  395   2HZ   LYS  48          2HZ       LYS  48  -4.396  13.090  -9.593
  396   3HZ   LYS  48          3HZ       LYS  48  -4.256  11.720  -8.610
  397    H    GLN  49           H        GLN  49   2.045   8.612  -8.280
  398    HA   GLN  49           HA       GLN  49   2.460   6.187  -6.807
  399   1HB   GLN  49          2HB       GLN  49   4.279   7.674  -7.749
  400   2HB   GLN  49          1HB       GLN  49   3.919   8.805  -6.451
  401   1HG   GLN  49          2HG       GLN  49   4.284   6.198  -5.349
  402   2HG   GLN  49          1HG       GLN  49   5.644   6.585  -6.401
  403   1HE2  GLN  49          1HE2      GLN  49   5.377   6.358  -3.444
  404   2HE2  GLN  49          2HE2      GLN  49   6.002   7.845  -2.824
  405    H    LEU  50           H        LEU  50   2.149   5.784  -4.668
  406    HA   LEU  50           HA       LEU  50   0.364   7.577  -3.254
  407   1HB   LEU  50          2HB       LEU  50   1.474   4.879  -2.477
  408   2HB   LEU  50          1HB       LEU  50   0.256   5.764  -1.581
  409    HG   LEU  50           HG       LEU  50  -0.002   4.402  -4.242
  410   1HD1  LEU  50          1HD1      LEU  50  -0.611   3.648  -1.671
  411   2HD1  LEU  50          2HD1      LEU  50  -1.288   2.950  -3.142
  412   3HD1  LEU  50          3HD1      LEU  50  -2.155   4.230  -2.293
  413   1HD2  LEU  50          1HD2      LEU  50  -2.381   5.473  -4.116
  414   2HD2  LEU  50          2HD2      LEU  50  -1.042   6.359  -4.844
  415   3HD2  LEU  50          3HD2      LEU  50  -1.548   6.725  -3.195
  416    H    GLU  51           H        GLU  51   0.986   9.029  -1.798
  417    HA   GLU  51           HA       GLU  51   3.716   8.844  -0.717
  418   1HB   GLU  51          2HB       GLU  51   1.881  11.231  -0.998
  419   2HB   GLU  51          1HB       GLU  51   3.474  11.276  -0.255
  420   1HG   GLU  51          2HG       GLU  51   4.489  10.611  -2.369
  421   2HG   GLU  51          1HG       GLU  51   2.893  10.550  -3.118
  422    H    ASP  52           H        ASP  52   4.101   9.017   1.480
  423    HA   ASP  52           HA       ASP  52   2.094   8.044   3.215
  424   1HB   ASP  52          2HB       ASP  52   4.864   9.126   3.627
  425   2HB   ASP  52          1HB       ASP  52   3.841   8.743   5.007
  426    H    GLY  53           H        GLY  53   0.745  10.056   2.262
  427   1HA   GLY  53          2HA       GLY  53   0.391  11.797   4.550
  428   2HA   GLY  53          1HA       GLY  53   0.869  12.610   3.070
  429    H    ARG  54           H        ARG  54  -0.721  10.594   1.457
  430    HA   ARG  54           HA       ARG  54  -3.299  11.929   1.834
  431   1HB   ARG  54          2HB       ARG  54  -2.049  10.497  -0.503
  432   2HB   ARG  54          1HB       ARG  54  -3.755  10.925  -0.475
  433   1HG   ARG  54          2HG       ARG  54  -3.007  13.307  -0.049
  434   2HG   ARG  54          1HG       ARG  54  -1.380  12.760  -0.462
  435   1HD   ARG  54          2HD       ARG  54  -2.016  12.202  -2.661
  436   2HD   ARG  54          1HD       ARG  54  -3.733  12.303  -2.274
  437    HE   ARG  54           HE       ARG  54  -2.641  14.814  -1.811
  438   1HH1  ARG  54          2HH1      ARG  54  -3.124  12.651  -4.497
  439   2HH1  ARG  54          1HH1      ARG  54  -3.259  13.923  -5.665
  440   1HH2  ARG  54          1HH2      ARG  54  -2.815  16.497  -3.341
  441   2HH2  ARG  54          2HH2      ARG  54  -3.081  16.109  -5.008
  442    H    THR  55           H        THR  55  -5.203  10.465   1.027
  443    HA   THR  55           HA       THR  55  -4.975   7.881   2.431
  444    HB   THR  55           HB       THR  55  -7.090   8.108   3.342
  445    HG1  THR  55           HG1      THR  55  -8.623   9.656   2.486
  446   1HG2  THR  55          1HG2      THR  55  -7.264  10.340   4.320
  447   2HG2  THR  55          2HG2      THR  55  -6.138  10.965   3.116
  448   3HG2  THR  55          3HG2      THR  55  -5.588   9.792   4.311
  449    H    LEU  56           H        LEU  56  -6.172   6.112   1.609
  450    HA   LEU  56           HA       LEU  56  -6.035   5.631  -1.076
  451   1HB   LEU  56          2HB       LEU  56  -8.147   4.490   0.754
  452   2HB   LEU  56          1HB       LEU  56  -7.556   3.774  -0.733
  453    HG   LEU  56           HG       LEU  56  -6.174   3.984   1.921
  454   1HD1  LEU  56          1HD1      LEU  56  -7.640   2.019   1.161
  455   2HD1  LEU  56          2HD1      LEU  56  -6.039   1.663   1.809
  456   3HD1  LEU  56          3HD1      LEU  56  -6.310   1.635   0.067
  457   1HD2  LEU  56          1HD2      LEU  56  -4.962   4.045  -0.759
  458   2HD2  LEU  56          2HD2      LEU  56  -4.288   2.858   0.358
  459   3HD2  LEU  56          3HD2      LEU  56  -4.314   4.566   0.796
  460    H    SER  57           H        SER  57  -8.753   7.002   0.716
  461    HA   SER  57           HA       SER  57 -10.606   7.063  -1.394
  462   1HB   SER  57          2HB       SER  57 -11.843   8.661  -0.049
  463   2HB   SER  57          1HB       SER  57 -11.172   7.420   1.010
  464    HG   SER  57           HG       SER  57 -10.378  10.099   0.682
  465    H    ASP  58           H        ASP  58  -8.032   9.253  -0.455
  466    HA   ASP  58           HA       ASP  58  -8.739  11.449  -2.057
  467   1HB   ASP  58          2HB       ASP  58  -5.968  10.545  -1.245
  468   2HB   ASP  58          1HB       ASP  58  -6.406  12.154  -1.810
  469    H    TYR  59           H        TYR  59  -7.316   8.392  -2.822
  470    HA   TYR  59           HA       TYR  59  -6.555   9.308  -5.499
  471   1HB   TYR  59          2HB       TYR  59  -6.052   6.661  -4.120
  472   2HB   TYR  59          1HB       TYR  59  -5.462   7.105  -5.717
  473    HD1  TYR  59           HD1      TYR  59  -3.670   8.769  -5.966
  474    HD2  TYR  59           HD2      TYR  59  -5.015   7.522  -2.118
  475    HE1  TYR  59           HE1      TYR  59  -1.641   9.731  -4.952
  476    HE2  TYR  59           HE2      TYR  59  -2.991   8.482  -1.093
  477    HH   TYR  59           HH       TYR  59  -0.511  10.092  -3.074
  478    H    ASN  60           H        ASN  60  -9.309   8.435  -4.153
  479    HA   ASN  60           HA       ASN  60 -11.262   7.509  -4.853
  480   1HB   ASN  60          2HB       ASN  60  -9.975   7.825  -7.573
  481   2HB   ASN  60          1HB       ASN  60 -11.685   7.512  -7.287
  482   1HD2  ASN  60          1HD2      ASN  60  -9.109   9.795  -6.463
  483   2HD2  ASN  60          2HD2      ASN  60 -10.118  11.197  -6.451
  484    H    ILE  61           H        ILE  61  -9.454   5.655  -3.913
  485    HA   ILE  61           HA       ILE  61  -9.271   3.456  -5.785
  486    HB   ILE  61           HB       ILE  61  -8.619   3.582  -2.839
  487   1HG1  ILE  61          2HG1      ILE  61  -6.719   3.463  -5.183
  488   2HG1  ILE  61          1HG1      ILE  61  -7.240   4.981  -4.456
  489   1HG2  ILE  61          1HG2      ILE  61  -7.408   1.475  -4.470
  490   2HG2  ILE  61          2HG2      ILE  61  -9.152   1.321  -4.258
  491   3HG2  ILE  61          3HG2      ILE  61  -8.094   1.403  -2.849
  492   1HD1  ILE  61          1HD1      ILE  61  -5.856   4.755  -2.726
  493   2HD1  ILE  61          2HD1      ILE  61  -5.041   3.555  -3.729
  494   3HD1  ILE  61          3HD1      ILE  61  -6.227   3.043  -2.527
  495    H    GLN  62           H        GLN  62 -10.610   1.740  -5.939
  496    HA   GLN  62           HA       GLN  62 -12.999   1.759  -4.244
  497   1HB   GLN  62          2HB       GLN  62 -12.555   0.131  -6.745
  498   2HB   GLN  62          1HB       GLN  62 -14.083   0.492  -5.952
  499   1HG   GLN  62          2HG       GLN  62 -14.319   2.179  -7.360
  500   2HG   GLN  62          1HG       GLN  62 -12.986   2.978  -6.528
  501   1HE2  GLN  62          1HE2      GLN  62 -11.778   3.872  -8.047
  502   2HE2  GLN  62          2HE2      GLN  62 -11.182   3.077  -9.461
  503    H    LYS  63           H        LYS  63 -13.945  -0.618  -4.058
  504    HA   LYS  63           HA       LYS  63 -12.086  -2.028  -2.395
  505   1HB   LYS  63          2HB       LYS  63 -14.628  -3.346  -3.116
  506   2HB   LYS  63          1HB       LYS  63 -13.900  -3.087  -1.537
  507   1HG   LYS  63          2HG       LYS  63 -14.576  -0.670  -1.750
  508   2HG   LYS  63          1HG       LYS  63 -15.520  -1.149  -3.162
  509   1HD   LYS  63          2HD       LYS  63 -15.881  -2.667  -0.627
  510   2HD   LYS  63          1HD       LYS  63 -16.600  -1.061  -0.757
  511   1HE   LYS  63          2HE       LYS  63 -17.392  -2.073  -3.100
  512   2HE   LYS  63          1HE       LYS  63 -17.271  -3.571  -2.179
  513   1HZ   LYS  63          1HZ       LYS  63 -18.877  -1.188  -1.430
  514   2HZ   LYS  63          2HZ       LYS  63 -18.737  -2.597  -0.505
  515   3HZ   LYS  63          3HZ       LYS  63 -19.484  -2.652  -2.021
  516    H    GLU  64           H        GLU  64 -12.293  -1.965  -5.640
  517    HA   GLU  64           HA       GLU  64 -11.342  -4.736  -5.855
  518   1HB   GLU  64          2HB       GLU  64 -12.828  -3.522  -8.143
  519   2HB   GLU  64          1HB       GLU  64 -12.635  -5.214  -7.708
  520   1HG   GLU  64          2HG       GLU  64 -14.250  -5.045  -5.983
  521   2HG   GLU  64          1HG       GLU  64 -14.292  -3.287  -6.108
  522    H    SER  65           H        SER  65 -10.270  -1.816  -5.817
  523    HA   SER  65           HA       SER  65  -9.004  -1.521  -8.376
  524   1HB   SER  65          2HB       SER  65  -8.886  -0.071  -5.757
  525   2HB   SER  65          1HB       SER  65  -7.621   0.212  -6.954
  526    HG   SER  65           HG       SER  65  -9.004   1.236  -8.187
  527    H    THR  66           H        THR  66  -6.781  -1.719  -8.838
  528    HA   THR  66           HA       THR  66  -5.328  -3.517  -7.008
  529    HB   THR  66           HB       THR  66  -4.754  -3.396  -9.953
  530    HG1  THR  66           HG1      THR  66  -6.549  -5.286  -8.847
  531   1HG2  THR  66          1HG2      THR  66  -3.255  -4.560  -8.267
  532   2HG2  THR  66          2HG2      THR  66  -3.808  -5.543  -9.624
  533   3HG2  THR  66          3HG2      THR  66  -4.567  -5.717  -8.042
  534    H    ILE  67           H        ILE  67  -3.207  -3.091  -6.549
  535    HA   ILE  67           HA       ILE  67  -2.077  -0.621  -7.697
  536    HB   ILE  67           HB       ILE  67  -1.629  -1.580  -4.871
  537   1HG1  ILE  67          2HG1      ILE  67  -3.354   0.739  -5.752
  538   2HG1  ILE  67          1HG1      ILE  67  -4.002  -0.853  -5.370
  539   1HG2  ILE  67          1HG2      ILE  67  -0.914   0.971  -6.305
  540   2HG2  ILE  67          2HG2      ILE  67   0.195  -0.259  -5.700
  541   3HG2  ILE  67          3HG2      ILE  67  -0.741   0.718  -4.569
  542   1HD1  ILE  67          1HD1      ILE  67  -2.576  -0.381  -3.143
  543   2HD1  ILE  67          2HD1      ILE  67  -4.274   0.051  -3.338
  544   3HD1  ILE  67          3HD1      ILE  67  -3.020   1.266  -3.591
  545    H    HIS  68           H        HIS  68   0.166  -0.559  -8.014
  546    HA   HIS  68           HA       HIS  68   1.401  -3.210  -8.207
  547   1HB   HIS  68          2HB       HIS  68   2.143  -0.577  -9.498
  548   2HB   HIS  68          1HB       HIS  68   3.030  -2.081  -9.716
  549    HD1  HIS  68           HD1      HIS  68   2.294  -3.519 -11.603
  550    HD2  HIS  68           HD2      HIS  68  -0.623  -0.774 -10.497
  551    HE1  HIS  68           HE1      HIS  68   0.460  -3.764 -13.305
  552    HE2  HIS  68           HE2      HIS  68  -1.321  -2.134 -12.584
  553    H    LEU  69           H        LEU  69   3.021  -3.803  -6.923
  554    HA   LEU  69           HA       LEU  69   4.190  -1.780  -5.145
  555   1HB   LEU  69          2HB       LEU  69   3.153  -3.553  -3.933
  556   2HB   LEU  69          1HB       LEU  69   3.937  -4.772  -4.920
  557    HG   LEU  69           HG       LEU  69   6.143  -3.894  -3.963
  558   1HD1  LEU  69          1HD1      LEU  69   5.619  -1.857  -2.982
  559   2HD1  LEU  69          2HD1      LEU  69   5.729  -2.949  -1.601
  560   3HD1  LEU  69          3HD1      LEU  69   4.149  -2.483  -2.233
  561   1HD2  LEU  69          1HD2      LEU  69   5.650  -5.114  -1.736
  562   2HD2  LEU  69          2HD2      LEU  69   5.517  -6.010  -3.250
  563   3HD2  LEU  69          3HD2      LEU  69   4.064  -5.418  -2.443
  564    H    VAL  70           H        VAL  70   6.229  -1.162  -5.424
  565    HA   VAL  70           HA       VAL  70   8.058  -2.955  -6.880
  566    HB   VAL  70           HB       VAL  70   8.570  -0.070  -7.188
  567   1HG1  VAL  70          1HG1      VAL  70   8.875  -2.585  -8.711
  568   2HG1  VAL  70          2HG1      VAL  70   9.996  -1.241  -8.502
  569   3HG1  VAL  70          3HG1      VAL  70   8.666  -1.108  -9.653
  570   1HG2  VAL  70          1HG2      VAL  70   6.851  -0.267  -9.222
  571   2HG2  VAL  70          2HG2      VAL  70   6.394   0.380  -7.647
  572   3HG2  VAL  70          3HG2      VAL  70   6.017  -1.294  -8.056
  573    H    LEU  71           H        LEU  71  10.066  -3.175  -6.049
  574    HA   LEU  71           HA       LEU  71  10.571  -2.412  -3.390
  575   1HB   LEU  71          2HB       LEU  71  11.882  -3.948  -5.446
  576   2HB   LEU  71          1HB       LEU  71  13.049  -2.951  -4.599
  577    HG   LEU  71           HG       LEU  71  11.199  -4.988  -3.360
  578   1HD1  LEU  71          1HD1      LEU  71  13.419  -5.557  -4.679
  579   2HD1  LEU  71          2HD1      LEU  71  12.983  -6.393  -3.188
  580   3HD1  LEU  71          3HD1      LEU  71  14.159  -5.079  -3.151
  581   1HD2  LEU  71          1HD2      LEU  71  11.355  -3.328  -1.733
  582   2HD2  LEU  71          2HD2      LEU  71  13.026  -2.945  -2.148
  583   3HD2  LEU  71          3HD2      LEU  71  12.648  -4.452  -1.312
  584    H    ARG  72           H        ARG  72  11.470  -0.980  -6.465
  585    HA   ARG  72           HA       ARG  72  12.324   1.057  -7.006
  586   1HB   ARG  72          2HB       ARG  72  10.615   1.881  -5.409
  587   2HB   ARG  72          1HB       ARG  72  11.794   1.750  -4.111
  588   1HG   ARG  72          2HG       ARG  72  12.906   3.292  -6.243
  589   2HG   ARG  72          1HG       ARG  72  11.320   3.935  -5.812
  590   1HD   ARG  72          2HD       ARG  72  12.664   3.319  -3.402
  591   2HD   ARG  72          1HD       ARG  72  13.803   4.192  -4.425
  592    HE   ARG  72           HE       ARG  72  11.355   5.218  -3.260
  593   1HH1  ARG  72          2HH1      ARG  72  13.915   5.675  -5.576
  594   2HH1  ARG  72          1HH1      ARG  72  13.672   7.386  -5.702
  595   1HH2  ARG  72          1HH2      ARG  72  11.027   7.470  -3.417
  596   2HH2  ARG  72          2HH2      ARG  72  12.031   8.406  -4.474
  597    H    LEU  73           H        LEU  73  14.407   1.276  -7.445
  598    HA   LEU  73           HA       LEU  73  16.670   1.363  -7.241
  599   1HB   LEU  73          2HB       LEU  73  15.624   2.722  -5.008
  600   2HB   LEU  73          1HB       LEU  73  16.926   1.720  -4.397
  601    HG   LEU  73           HG       LEU  73  17.631   3.198  -6.827
  602   1HD1  LEU  73          1HD1      LEU  73  16.190   4.588  -4.797
  603   2HD1  LEU  73          2HD1      LEU  73  16.934   5.224  -6.266
  604   3HD1  LEU  73          3HD1      LEU  73  17.872   5.121  -4.776
  605   1HD2  LEU  73          1HD2      LEU  73  19.495   3.858  -5.099
  606   2HD2  LEU  73          2HD2      LEU  73  19.444   2.243  -5.807
  607   3HD2  LEU  73          3HD2      LEU  73  18.814   2.513  -4.183
  608    H    ARG  74           H        ARG  74  18.254  -0.128  -7.058
  609    HA   ARG  74           HA       ARG  74  19.372  -2.019  -6.449
  610   1HB   ARG  74          2HB       ARG  74  17.537  -2.196  -4.060
  611   2HB   ARG  74          1HB       ARG  74  19.127  -2.923  -4.246
  612   1HG   ARG  74          2HG       ARG  74  20.164  -0.735  -4.214
  613   2HG   ARG  74          1HG       ARG  74  18.580   0.036  -4.119
  614   1HD   ARG  74          2HD       ARG  74  18.259  -1.388  -1.995
  615   2HD   ARG  74          1HD       ARG  74  20.009  -1.601  -2.053
  616    HE   ARG  74           HE       ARG  74  19.372   1.139  -2.261
  617   1HH1  ARG  74          2HH1      ARG  74  19.406  -1.474   0.043
  618   2HH1  ARG  74          1HH1      ARG  74  19.637  -0.436   1.411
  619   1HH2  ARG  74          1HH2      ARG  74  19.675   2.513  -0.466
  620   2HH2  ARG  74          2HH2      ARG  74  19.790   1.831   1.121
  621    H    GLY  75           H        GLY  75  16.916  -1.999  -8.073
  622   1HA   GLY  75          2HA       GLY  75  16.642  -4.746  -8.519
  623   2HA   GLY  75          1HA       GLY  75  15.306  -4.244  -7.495
  624    H    GLY  76           HN       GLY  76  13.778  -4.712  -9.103
  625   1HA   GLY  76          2HA       GLY  76  13.723  -2.717 -11.277
  626   2HA   GLY  76          1HA       GLY  76  13.330  -4.402 -11.583
  Start of MODEL    4
    1   2H    MET   1          2H        MET   1 -11.771  -2.928   3.024
    2   3H    MET   1          3H        MET   1 -13.439  -2.990   3.293
    3   1H    MET   1          1H        MET   1 -12.766  -1.690   2.444
    4    HA   MET   1           HA       MET   1 -13.775  -4.056   1.419
    5   1HB   MET   1          2HB       MET   1 -13.131  -3.032  -0.744
    6   2HB   MET   1          1HB       MET   1 -13.947  -1.900   0.328
    7   1HG   MET   1          2HG       MET   1 -11.014  -1.925   0.513
    8   2HG   MET   1          1HG       MET   1 -11.678  -1.359  -1.019
    9   1HE   MET   1          1HE       MET   1 -10.406   1.196  -0.306
   10   2HE   MET   1          2HE       MET   1 -11.854   2.203  -0.288
   11   3HE   MET   1          3HE       MET   1 -11.726   0.861  -1.427
   12    H    GLN   2           H        GLN   2 -12.780  -5.446  -0.220
   13    HA   GLN   2           HA       GLN   2 -10.118  -6.292   0.657
   14   1HB   GLN   2          2HB       GLN   2 -12.385  -7.674  -0.740
   15   2HB   GLN   2          1HB       GLN   2 -10.759  -8.339  -0.812
   16   1HG   GLN   2          2HG       GLN   2 -12.142  -7.693   1.774
   17   2HG   GLN   2          1HG       GLN   2 -12.268  -9.262   0.979
   18   1HE2  GLN   2          1HE2      GLN   2 -11.330 -10.034   2.995
   19   2HE2  GLN   2          2HE2      GLN   2  -9.613 -10.009   3.183
   20    H    VAL   3           H        VAL   3  -8.564  -5.284  -0.449
   21    HA   VAL   3           HA       VAL   3  -8.862  -4.922  -3.347
   22    HB   VAL   3           HB       VAL   3  -7.047  -3.345  -3.236
   23   1HG1  VAL   3          1HG1      VAL   3  -8.680  -1.921  -2.714
   24   2HG1  VAL   3          2HG1      VAL   3  -8.119  -2.038  -1.046
   25   3HG1  VAL   3          3HG1      VAL   3  -9.431  -3.072  -1.609
   26   1HG2  VAL   3          1HG2      VAL   3  -5.427  -3.620  -1.743
   27   2HG2  VAL   3          2HG2      VAL   3  -6.412  -4.757  -0.823
   28   3HG2  VAL   3          3HG2      VAL   3  -6.526  -3.028  -0.497
   29    H    PHE   4           H        PHE   4  -6.810  -5.223  -4.641
   30    HA   PHE   4           HA       PHE   4  -5.349  -7.594  -3.676
   31   1HB   PHE   4          2HB       PHE   4  -5.726  -7.058  -6.598
   32   2HB   PHE   4          1HB       PHE   4  -5.454  -8.589  -5.773
   33    HD1  PHE   4           HD1      PHE   4  -7.250  -9.962  -5.163
   34    HD2  PHE   4           HD2      PHE   4  -7.973  -5.929  -6.344
   35    HE1  PHE   4           HE1      PHE   4  -9.673 -10.414  -5.208
   36    HE2  PHE   4           HE2      PHE   4 -10.397  -6.373  -6.390
   37    HZ   PHE   4           HZ       PHE   4 -11.249  -8.618  -5.822
   38    H    LEU   5           H        LEU   5  -3.152  -7.696  -4.031
   39    HA   LEU   5           HA       LEU   5  -1.907  -5.280  -5.168
   40   1HB   LEU   5          2HB       LEU   5  -1.833  -5.776  -2.571
   41   2HB   LEU   5          1HB       LEU   5  -0.529  -6.848  -3.040
   42    HG   LEU   5           HG       LEU   5   0.193  -4.560  -4.330
   43   1HD1  LEU   5          1HD1      LEU   5  -0.036  -2.752  -2.635
   44   2HD1  LEU   5          2HD1      LEU   5  -1.188  -3.771  -1.772
   45   3HD1  LEU   5          3HD1      LEU   5  -1.554  -3.213  -3.404
   46   1HD2  LEU   5          1HD2      LEU   5   0.870  -5.520  -1.557
   47   2HD2  LEU   5          2HD2      LEU   5   1.752  -4.239  -2.389
   48   3HD2  LEU   5          3HD2      LEU   5   1.723  -5.870  -3.061
   49    H    LYS   6           H        LYS   6  -0.347  -5.582  -6.651
   50    HA   LYS   6           HA       LYS   6   0.370  -8.355  -7.294
   51   1HB   LYS   6          2HB       LYS   6  -0.628  -6.436  -8.930
   52   2HB   LYS   6          1HB       LYS   6   1.096  -6.199  -9.178
   53   1HG   LYS   6          2HG       LYS   6   0.948  -7.809 -10.702
   54   2HG   LYS   6          1HG       LYS   6   0.813  -8.930  -9.347
   55   1HD   LYS   6          2HD       LYS   6  -1.570  -8.891  -9.454
   56   2HD   LYS   6          1HD       LYS   6  -1.552  -7.563 -10.616
   57   1HE   LYS   6          2HE       LYS   6  -0.511 -10.354 -11.090
   58   2HE   LYS   6          1HE       LYS   6  -2.022  -9.694 -11.712
   59   1HZ   LYS   6          1HZ       LYS   6  -0.356  -9.592 -13.409
   60   2HZ   LYS   6          2HZ       LYS   6   0.720  -8.779 -12.389
   61   3HZ   LYS   6          3HZ       LYS   6  -0.697  -8.013 -12.906
   62    H    THR   7           H        THR   7   2.439  -9.050  -7.295
   63    HA   THR   7           HA       THR   7   4.459  -7.179  -6.279
   64    HB   THR   7           HB       THR   7   5.735  -9.140  -5.592
   65    HG1  THR   7           HG1      THR   7   5.308 -11.041  -6.418
   66   1HG2  THR   7          1HG2      THR   7   3.640  -8.199  -4.301
   67   2HG2  THR   7          2HG2      THR   7   4.465  -9.654  -3.743
   68   3HG2  THR   7          3HG2      THR   7   2.972  -9.789  -4.672
   69    H    LEU   8           H        LEU   8   6.790  -8.200  -6.971
   70    HA   LEU   8           HA       LEU   8   6.953  -7.637  -9.786
   71   1HB   LEU   8          2HB       LEU   8   9.250  -8.610  -8.125
   72   2HB   LEU   8          1HB       LEU   8   9.267  -7.513  -9.493
   73    HG   LEU   8           HG       LEU   8   8.151  -6.847  -6.768
   74   1HD1  LEU   8          1HD1      LEU   8  10.138  -5.375  -6.601
   75   2HD1  LEU   8          2HD1      LEU   8  10.772  -6.123  -8.066
   76   3HD1  LEU   8          3HD1      LEU   8  10.535  -7.094  -6.613
   77   1HD2  LEU   8          1HD2      LEU   8   7.620  -4.772  -7.556
   78   2HD2  LEU   8          2HD2      LEU   8   7.343  -5.720  -9.017
   79   3HD2  LEU   8          3HD2      LEU   8   8.845  -4.817  -8.824
   80    H    THR   9           H        THR   9   6.399 -10.416  -8.006
   81    HA   THR   9           HA       THR   9   7.651 -12.164 -10.004
   82    HB   THR   9           HB       THR   9   7.601 -13.913  -8.473
   83    HG1  THR   9           HG1      THR   9   6.111 -14.112  -6.876
   84   1HG2  THR   9          1HG2      THR   9   8.960 -13.108  -6.873
   85   2HG2  THR   9          2HG2      THR   9   7.742 -11.980  -6.275
   86   3HG2  THR   9          3HG2      THR   9   8.729 -11.552  -7.672
   87    H    GLY  10           H        GLY  10   4.606 -10.977  -8.912
   88   1HA   GLY  10          2HA       GLY  10   2.714 -11.118 -10.401
   89   2HA   GLY  10          1HA       GLY  10   3.274 -12.712 -10.886
   90    H    LYS  11           H        LYS  11   3.155 -11.635  -7.554
   91    HA   LYS  11           HA       LYS  11   1.186 -13.739  -7.016
   92   1HB   LYS  11          2HB       LYS  11   3.503 -13.480  -5.821
   93   2HB   LYS  11          1HB       LYS  11   2.665 -12.261  -4.872
   94   1HG   LYS  11          2HG       LYS  11   0.996 -14.528  -4.935
   95   2HG   LYS  11          1HG       LYS  11   2.631 -15.098  -4.593
   96   1HD   LYS  11          2HD       LYS  11   1.052 -13.026  -3.079
   97   2HD   LYS  11          1HD       LYS  11   1.583 -14.610  -2.504
   98   1HE   LYS  11          2HE       LYS  11   3.451 -13.683  -1.744
   99   2HE   LYS  11          1HE       LYS  11   3.884 -13.243  -3.396
  100   1HZ   LYS  11          1HZ       LYS  11   2.300 -11.605  -1.492
  101   2HZ   LYS  11          2HZ       LYS  11   2.590 -11.188  -3.105
  102   3HZ   LYS  11          3HZ       LYS  11   3.879 -11.297  -2.015
  103    H    THR  12           H        THR  12  -0.824 -13.287  -6.367
  104    HA   THR  12           HA       THR  12  -1.527 -10.474  -5.937
  105    HB   THR  12           HB       THR  12  -3.507 -12.713  -6.282
  106    HG1  THR  12           HG1      THR  12  -3.415 -12.286  -8.524
  107   1HG2  THR  12          1HG2      THR  12  -3.618  -9.769  -6.953
  108   2HG2  THR  12          2HG2      THR  12  -4.329 -10.517  -5.523
  109   3HG2  THR  12          3HG2      THR  12  -4.934 -10.928  -7.128
  110    H    VAL  13           H        VAL  13  -1.848  -9.772  -3.937
  111    HA   VAL  13           HA       VAL  13  -2.600 -11.728  -1.863
  112    HB   VAL  13           HB       VAL  13  -1.565 -10.166  -0.229
  113   1HG1  VAL  13          1HG1      VAL  13  -0.382 -12.131  -1.328
  114   2HG1  VAL  13          2HG1      VAL  13   0.641 -10.905  -0.578
  115   3HG1  VAL  13          3HG1      VAL  13   0.440 -10.935  -2.331
  116   1HG2  VAL  13          1HG2      VAL  13  -0.179  -8.787  -2.483
  117   2HG2  VAL  13          2HG2      VAL  13  -0.429  -8.254  -0.820
  118   3HG2  VAL  13          3HG2      VAL  13  -1.770  -8.226  -1.966
  119    H    THR  14           H        THR  14  -4.298 -11.296  -0.532
  120    HA   THR  14           HA       THR  14  -5.969  -9.003  -1.276
  121    HB   THR  14           HB       THR  14  -7.353 -10.678   0.541
  122    HG1  THR  14           HG1      THR  14  -6.423 -12.547   0.147
  123   1HG2  THR  14          1HG2      THR  14  -8.966 -10.421  -0.998
  124   2HG2  THR  14          2HG2      THR  14  -7.957 -11.072  -2.291
  125   3HG2  THR  14          3HG2      THR  14  -7.821  -9.373  -1.835
  126    H    ILE  15           H        ILE  15  -6.285  -7.347   0.066
  127    HA   ILE  15           HA       ILE  15  -5.724  -7.699   2.928
  128    HB   ILE  15           HB       ILE  15  -4.842  -5.216   1.484
  129   1HG1  ILE  15          2HG1      ILE  15  -3.055  -7.563   2.146
  130   2HG1  ILE  15          1HG1      ILE  15  -3.716  -7.274   0.540
  131   1HG2  ILE  15          1HG2      ILE  15  -5.135  -5.120   3.919
  132   2HG2  ILE  15          2HG2      ILE  15  -3.449  -4.905   3.447
  133   3HG2  ILE  15          3HG2      ILE  15  -3.992  -6.451   4.100
  134   1HD1  ILE  15          1HD1      ILE  15  -1.795  -6.185   0.210
  135   2HD1  ILE  15          2HD1      ILE  15  -1.507  -5.958   1.935
  136   3HD1  ILE  15          3HD1      ILE  15  -2.595  -4.872   1.072
  137    H    GLU  16           H        GLU  16  -6.843  -6.278   4.315
  138    HA   GLU  16           HA       GLU  16  -9.240  -5.117   3.093
  139   1HB   GLU  16          2HB       GLU  16  -8.647  -6.460   5.616
  140   2HB   GLU  16          1HB       GLU  16  -9.560  -4.975   5.841
  141   1HG   GLU  16          2HG       GLU  16 -11.184  -5.830   4.131
  142   2HG   GLU  16          1HG       GLU  16 -10.327  -7.369   4.197
  143    H    VAL  17           H        VAL  17  -9.457  -2.996   2.898
  144    HA   VAL  17           HA       VAL  17  -8.108  -1.221   4.792
  145    HB   VAL  17           HB       VAL  17  -7.244   0.229   3.063
  146   1HG1  VAL  17          1HG1      VAL  17  -5.359  -0.947   2.973
  147   2HG1  VAL  17          2HG1      VAL  17  -6.092  -2.163   1.927
  148   3HG1  VAL  17          3HG1      VAL  17  -6.252  -2.294   3.679
  149   1HG2  VAL  17          1HG2      VAL  17  -9.128  -0.622   1.435
  150   2HG2  VAL  17          2HG2      VAL  17  -7.860  -1.730   0.908
  151   3HG2  VAL  17          3HG2      VAL  17  -7.605   0.012   0.813
  152    H    GLU  18           H        GLU  18  -8.851   1.089   4.472
  153    HA   GLU  18           HA       GLU  18 -11.635   1.174   3.523
  154   1HB   GLU  18          2HB       GLU  18 -10.552   2.462   6.036
  155   2HB   GLU  18          1HB       GLU  18 -12.190   2.638   5.423
  156   1HG   GLU  18          2HG       GLU  18 -12.315   0.082   5.604
  157   2HG   GLU  18          1HG       GLU  18 -10.882   0.229   6.620
  158    HA   PRO  19           HA       PRO  19 -10.620   4.719   1.141
  159   1HB   PRO  19          2HB       PRO  19 -12.798   6.339   1.732
  160   2HB   PRO  19          1HB       PRO  19 -12.773   5.075   0.500
  161   1HG   PRO  19          2HG       PRO  19 -13.835   4.987   3.289
  162   2HG   PRO  19          1HG       PRO  19 -14.494   4.259   1.813
  163   1HD   PRO  19          2HD       PRO  19 -13.188   2.789   3.635
  164   2HD   PRO  19          1HD       PRO  19 -13.027   2.461   1.897
  165    H    SER  20           H        SER  20 -11.520   5.167   4.508
  166    HA   SER  20           HA       SER  20 -10.348   7.810   4.638
  167   1HB   SER  20          2HB       SER  20 -10.941   7.690   7.043
  168   2HB   SER  20          1HB       SER  20 -12.315   7.337   5.996
  169    HG   SER  20           HG       SER  20 -11.940   5.116   6.384
  170    H    ASP  21           H        ASP  21  -8.976   4.904   4.365
  171    HA   ASP  21           HA       ASP  21  -7.052   5.002   6.498
  172   1HB   ASP  21          2HB       ASP  21  -7.337   3.309   4.023
  173   2HB   ASP  21          1HB       ASP  21  -5.915   3.201   5.054
  174    H    THR  22           H        THR  22  -4.809   5.406   6.287
  175    HA   THR  22           HA       THR  22  -4.188   7.321   4.152
  176    HB   THR  22           HB       THR  22  -2.583   8.301   5.551
  177    HG1  THR  22           HG1      THR  22  -1.512   7.223   7.077
  178   1HG2  THR  22          1HG2      THR  22  -5.055   7.463   6.993
  179   2HG2  THR  22          2HG2      THR  22  -4.534   9.071   6.490
  180   3HG2  THR  22          3HG2      THR  22  -3.795   8.304   7.895
  181    H    VAL  23           H        VAL  23  -2.333   7.147   2.906
  182    HA   VAL  23           HA       VAL  23  -1.536   4.716   1.972
  183    HB   VAL  23           HB       VAL  23   0.281   7.121   2.166
  184   1HG1  VAL  23          1HG1      VAL  23   1.690   5.529   1.357
  185   2HG1  VAL  23          2HG1      VAL  23   0.925   6.007  -0.159
  186   3HG1  VAL  23          3HG1      VAL  23   0.381   4.556   0.683
  187   1HG2  VAL  23          1HG2      VAL  23  -1.426   8.095   1.043
  188   2HG2  VAL  23          2HG2      VAL  23  -2.100   6.553   0.513
  189   3HG2  VAL  23          3HG2      VAL  23  -0.709   7.242  -0.325
  190    H    GLU  24           H        GLU  24   0.011   6.570   4.574
  191    HA   GLU  24           HA       GLU  24   2.202   5.006   5.097
  192   1HB   GLU  24          2HB       GLU  24   1.190   7.164   6.281
  193   2HB   GLU  24          1HB       GLU  24   0.628   5.966   7.439
  194   1HG   GLU  24          2HG       GLU  24   3.474   5.857   6.626
  195   2HG   GLU  24          1HG       GLU  24   2.967   7.183   7.673
  196    H    ASN  25           H        ASN  25  -0.976   4.655   6.683
  197    HA   ASN  25           HA       ASN  25  -0.471   2.348   8.108
  198   1HB   ASN  25          2HB       ASN  25  -2.797   3.836   7.290
  199   2HB   ASN  25          1HB       ASN  25  -3.123   2.109   7.174
  200   1HD2  ASN  25          1HD2      ASN  25  -4.184   4.111   9.014
  201   2HD2  ASN  25          2HD2      ASN  25  -3.817   3.539  10.602
  202    H    PHE  26           H        PHE  26  -1.383   2.719   4.729
  203    HA   PHE  26           HA       PHE  26  -1.901   0.049   4.100
  204   1HB   PHE  26          2HB       PHE  26  -2.189   2.190   2.666
  205   2HB   PHE  26          1HB       PHE  26  -0.519   1.911   2.184
  206    HD1  PHE  26           HD1      PHE  26  -1.679  -1.248   2.750
  207    HD2  PHE  26           HD2      PHE  26  -2.202   1.974   0.006
  208    HE1  PHE  26           HE1      PHE  26  -2.444  -2.842   1.033
  209    HE2  PHE  26           HE2      PHE  26  -2.968   0.386  -1.717
  210    HZ   PHE  26           HZ       PHE  26  -3.090  -2.024  -1.204
  211    H    LYS  27           H        LYS  27   1.149   1.867   3.909
  212    HA   LYS  27           HA       LYS  27   2.729  -0.285   3.006
  213   1HB   LYS  27          2HB       LYS  27   3.334   2.328   4.353
  214   2HB   LYS  27          1HB       LYS  27   4.615   1.157   4.074
  215   1HG   LYS  27          2HG       LYS  27   4.232   1.234   1.698
  216   2HG   LYS  27          1HG       LYS  27   2.840   2.295   1.925
  217   1HD   LYS  27          2HD       LYS  27   4.448   3.915   3.041
  218   2HD   LYS  27          1HD       LYS  27   5.746   2.908   2.398
  219   1HE   LYS  27          2HE       LYS  27   4.293   3.241   0.170
  220   2HE   LYS  27          1HE       LYS  27   3.890   4.741   1.007
  221   1HZ   LYS  27          1HZ       LYS  27   6.466   3.836  -0.051
  222   2HZ   LYS  27          2HZ       LYS  27   6.475   4.811   1.331
  223   3HZ   LYS  27          3HZ       LYS  27   5.761   5.374  -0.095
  224    H    ALA  28           H        ALA  28   1.718   0.744   6.190
  225    HA   ALA  28           HA       ALA  28   3.564  -0.770   7.698
  226   1HB   ALA  28          1HB       ALA  28   2.248  -0.260   9.578
  227   2HB   ALA  28          2HB       ALA  28   0.786  -0.076   8.609
  228   3HB   ALA  28          3HB       ALA  28   2.073   1.126   8.502
  229    H    LYS  29           H        LYS  29   0.354  -1.502   6.413
  230    HA   LYS  29           HA       LYS  29   0.119  -4.036   7.684
  231   1HB   LYS  29          2HB       LYS  29  -1.270  -2.972   5.218
  232   2HB   LYS  29          1HB       LYS  29  -1.745  -4.408   6.114
  233   1HG   LYS  29          2HG       LYS  29  -2.103  -2.952   8.109
  234   2HG   LYS  29          1HG       LYS  29  -1.816  -1.556   7.067
  235   1HD   LYS  29          2HD       LYS  29  -3.688  -2.251   5.640
  236   2HD   LYS  29          1HD       LYS  29  -3.982  -3.627   6.706
  237   1HE   LYS  29          2HE       LYS  29  -5.500  -2.134   7.541
  238   2HE   LYS  29          1HE       LYS  29  -4.102  -1.759   8.548
  239   1HZ   LYS  29          1HZ       LYS  29  -4.948   0.286   7.801
  240   2HZ   LYS  29          2HZ       LYS  29  -5.109  -0.252   6.206
  241   3HZ   LYS  29          3HZ       LYS  29  -3.571   0.007   6.860
  242    H    ILE  30           H        ILE  30   1.252  -2.974   4.511
  243    HA   ILE  30           HA       ILE  30   1.612  -5.569   3.427
  244    HB   ILE  30           HB       ILE  30   2.882  -2.934   2.682
  245   1HG1  ILE  30          2HG1      ILE  30   0.727  -4.497   1.253
  246   2HG1  ILE  30          1HG1      ILE  30   0.378  -3.229   2.424
  247   1HG2  ILE  30          1HG2      ILE  30   4.391  -4.320   1.698
  248   2HG2  ILE  30          2HG2      ILE  30   3.145  -4.355   0.450
  249   3HG2  ILE  30          3HG2      ILE  30   3.262  -5.672   1.615
  250   1HD1  ILE  30          1HD1      ILE  30   0.524  -1.731   0.812
  251   2HD1  ILE  30          2HD1      ILE  30   0.947  -2.993  -0.345
  252   3HD1  ILE  30          3HD1      ILE  30   2.215  -2.169   0.563
  253    H    GLN  31           H        GLN  31   3.803  -3.309   5.061
  254    HA   GLN  31           HA       GLN  31   6.220  -4.533   4.762
  255   1HB   GLN  31          2HB       GLN  31   6.131  -2.492   5.967
  256   2HB   GLN  31          1HB       GLN  31   5.034  -3.161   7.167
  257   1HG   GLN  31          2HG       GLN  31   6.963  -4.759   7.735
  258   2HG   GLN  31          1HG       GLN  31   7.970  -3.619   6.843
  259   1HE2  GLN  31          1HE2      GLN  31   8.952  -2.212   8.087
  260   2HE2  GLN  31          2HE2      GLN  31   8.350  -1.555   9.567
  261    H    ASP  32           H        ASP  32   4.115  -5.144   7.580
  262    HA   ASP  32           HA       ASP  32   5.521  -7.416   8.451
  263   1HB   ASP  32          2HB       ASP  32   3.951  -6.081   9.856
  264   2HB   ASP  32          1HB       ASP  32   2.608  -6.767   8.947
  265    H    LYS  33           H        LYS  33   3.499  -6.997   5.792
  266    HA   LYS  33           HA       LYS  33   2.580  -9.754   5.704
  267   1HB   LYS  33          2HB       LYS  33   2.026  -7.272   4.160
  268   2HB   LYS  33          1HB       LYS  33   1.814  -8.806   3.325
  269   1HG   LYS  33          2HG       LYS  33   0.578  -8.973   5.889
  270   2HG   LYS  33          1HG       LYS  33   0.029  -7.507   5.073
  271   1HD   LYS  33          2HD       LYS  33  -0.349  -9.013   3.034
  272   2HD   LYS  33          1HD       LYS  33  -0.192 -10.362   4.163
  273   1HE   LYS  33          2HE       LYS  33  -1.955  -8.518   5.352
  274   2HE   LYS  33          1HE       LYS  33  -2.449  -8.663   3.666
  275   1HZ   LYS  33          1HZ       LYS  33  -3.592 -10.313   4.906
  276   2HZ   LYS  33          2HZ       LYS  33  -2.171 -10.852   5.649
  277   3HZ   LYS  33          3HZ       LYS  33  -2.413 -11.116   3.996
  278    H    GLU  34           H        GLU  34   4.263  -7.658   3.356
  279    HA   GLU  34           HA       GLU  34   5.621 -10.036   2.309
  280   1HB   GLU  34          2HB       GLU  34   5.742  -7.309   1.057
  281   2HB   GLU  34          1HB       GLU  34   5.933  -8.882   0.294
  282   1HG   GLU  34          2HG       GLU  34   3.463  -9.239   0.952
  283   2HG   GLU  34          1HG       GLU  34   3.431  -7.487   1.143
  284    H    GLY  35           H        GLY  35   6.325  -8.512   4.812
  285   1HA   GLY  35          2HA       GLY  35   8.173  -7.532   5.815
  286   2HA   GLY  35          1HA       GLY  35   8.987  -8.844   4.976
  287    H    ILE  36           H        ILE  36   7.640  -5.634   4.190
  288    HA   ILE  36           HA       ILE  36  10.180  -5.011   2.847
  289    HB   ILE  36           HB       ILE  36   7.609  -3.973   1.726
  290   1HG1  ILE  36          2HG1      ILE  36   8.874  -6.639   1.050
  291   2HG1  ILE  36          1HG1      ILE  36   7.310  -6.403   1.823
  292   1HG2  ILE  36          1HG2      ILE  36   8.897  -3.767  -0.296
  293   2HG2  ILE  36          2HG2      ILE  36  10.249  -4.635   0.431
  294   3HG2  ILE  36          3HG2      ILE  36   9.797  -3.041   1.035
  295   1HD1  ILE  36          1HD1      ILE  36   7.387  -6.929  -0.685
  296   2HD1  ILE  36          2HD1      ILE  36   7.869  -5.243  -0.872
  297   3HD1  ILE  36          3HD1      ILE  36   6.322  -5.640  -0.126
  298    HA   PRO  37           HA       PRO  37   9.788  -1.560   5.696
  299   1HB   PRO  37          2HB       PRO  37  12.105  -0.339   4.893
  300   2HB   PRO  37          1HB       PRO  37  12.047  -1.671   6.051
  301   1HG   PRO  37          2HG       PRO  37  12.659  -1.728   3.122
  302   2HG   PRO  37          1HG       PRO  37  13.449  -2.600   4.448
  303   1HD   PRO  37          2HD       PRO  37  11.663  -3.794   2.826
  304   2HD   PRO  37          1HD       PRO  37  11.787  -4.207   4.550
  305    HA   PRO  38           HA       PRO  38   7.643   1.315   3.075
  306   1HB   PRO  38          2HB       PRO  38   8.506   3.200   5.224
  307   2HB   PRO  38          1HB       PRO  38   6.903   2.953   4.521
  308   1HG   PRO  38          2HG       PRO  38   7.495   1.967   6.921
  309   2HG   PRO  38          1HG       PRO  38   6.503   1.041   5.777
  310   1HD   PRO  38          2HD       PRO  38   9.356   0.660   6.554
  311   2HD   PRO  38          1HD       PRO  38   8.131  -0.548   6.119
  312    H    ASP  39           H        ASP  39  10.856   1.921   4.365
  313    HA   ASP  39           HA       ASP  39  11.522   4.206   2.909
  314   1HB   ASP  39          2HB       ASP  39  13.332   1.945   3.785
  315   2HB   ASP  39          1HB       ASP  39  13.867   3.547   3.285
  316    H    GLN  40           H        GLN  40  11.209   0.914   1.897
  317    HA   GLN  40           HA       GLN  40  12.224   1.671  -0.764
  318   1HB   GLN  40          2HB       GLN  40  12.303  -1.135   0.329
  319   2HB   GLN  40          1HB       GLN  40  13.129  -0.498  -1.087
  320   1HG   GLN  40          2HG       GLN  40  14.322   1.043   0.627
  321   2HG   GLN  40          1HG       GLN  40  13.791  -0.159   1.803
  322   1HE2  GLN  40          1HE2      GLN  40  13.982  -2.362  -0.067
  323   2HE2  GLN  40          2HE2      GLN  40  15.664  -2.689  -0.272
  324    H    GLN  41           H        GLN  41   9.471   1.642   0.497
  325    HA   GLN  41           HA       GLN  41   8.147  -0.340  -1.207
  326   1HB   GLN  41          2HB       GLN  41   7.354   1.180   1.234
  327   2HB   GLN  41          1HB       GLN  41   6.092   0.659   0.127
  328   1HG   GLN  41          2HG       GLN  41   7.393  -1.647   0.350
  329   2HG   GLN  41          1HG       GLN  41   7.844  -0.935   1.899
  330   1HE2  GLN  41          1HE2      GLN  41   6.606  -1.711   3.439
  331   2HE2  GLN  41          2HE2      GLN  41   4.901  -1.968   3.347
  332    H    ARG  42           H        ARG  42   7.445   0.269  -3.132
  333    HA   ARG  42           HA       ARG  42   6.641   3.078  -3.520
  334   1HB   ARG  42          2HB       ARG  42   8.689   2.545  -4.748
  335   2HB   ARG  42          1HB       ARG  42   7.889   1.182  -5.518
  336   1HG   ARG  42          2HG       ARG  42   6.769   2.485  -6.986
  337   2HG   ARG  42          1HG       ARG  42   6.611   3.824  -5.846
  338   1HD   ARG  42          2HD       ARG  42   8.807   4.568  -6.255
  339   2HD   ARG  42          1HD       ARG  42   9.249   3.066  -7.066
  340    HE   ARG  42           HE       ARG  42   7.325   3.978  -8.670
  341   1HH1  ARG  42          2HH1      ARG  42  10.068   5.582  -7.247
  342   2HH1  ARG  42          1HH1      ARG  42  10.242   6.716  -8.545
  343   1HH2  ARG  42          1HH2      ARG  42   7.545   5.467 -10.385
  344   2HH2  ARG  42          2HH2      ARG  42   8.808   6.650 -10.327
  345    H    LEU  43           H        LEU  43   4.476   3.100  -3.478
  346    HA   LEU  43           HA       LEU  43   3.007   0.949  -4.837
  347   1HB   LEU  43          2HB       LEU  43   1.870   3.066  -3.020
  348   2HB   LEU  43          1HB       LEU  43   1.097   1.584  -3.548
  349    HG   LEU  43           HG       LEU  43   3.549   1.635  -1.794
  350   1HD1  LEU  43          1HD1      LEU  43   1.730   2.738  -0.628
  351   2HD1  LEU  43          2HD1      LEU  43   2.027   1.143   0.065
  352   3HD1  LEU  43          3HD1      LEU  43   0.649   1.397  -1.005
  353   1HD2  LEU  43          1HD2      LEU  43   3.104  -0.663  -1.414
  354   2HD2  LEU  43          2HD2      LEU  43   3.034  -0.416  -3.160
  355   3HD2  LEU  43          3HD2      LEU  43   1.543  -0.565  -2.230
  356    H    ILE  44           H        ILE  44   2.495   1.371  -6.877
  357    HA   ILE  44           HA       ILE  44   1.831   4.141  -7.628
  358    HB   ILE  44           HB       ILE  44   2.940   1.866  -9.264
  359   1HG1  ILE  44          2HG1      ILE  44   4.865   3.124  -9.460
  360   2HG1  ILE  44          1HG1      ILE  44   4.017   4.652  -9.248
  361   1HG2  ILE  44          1HG2      ILE  44   1.227   2.843 -10.621
  362   2HG2  ILE  44          2HG2      ILE  44   2.789   3.413 -11.211
  363   3HG2  ILE  44          3HG2      ILE  44   1.778   4.472 -10.229
  364   1HD1  ILE  44          1HD1      ILE  44   3.833   4.270  -6.883
  365   2HD1  ILE  44          2HD1      ILE  44   5.516   4.105  -7.382
  366   3HD1  ILE  44          3HD1      ILE  44   4.549   2.668  -7.052
  367    H    PHE  45           H        PHE  45  -0.211   4.582  -8.110
  368    HA   PHE  45           HA       PHE  45  -1.917   2.496  -9.252
  369   1HB   PHE  45          2HB       PHE  45  -2.280   2.561  -6.770
  370   2HB   PHE  45          1HB       PHE  45  -2.812   4.231  -6.941
  371    HD1  PHE  45           HD1      PHE  45  -5.077   4.352  -6.587
  372    HD2  PHE  45           HD2      PHE  45  -3.514   1.141  -8.917
  373    HE1  PHE  45           HE1      PHE  45  -7.371   3.579  -7.052
  374    HE2  PHE  45           HE2      PHE  45  -5.806   0.362  -9.386
  375    HZ   PHE  45           HZ       PHE  45  -7.737   1.582  -8.453
  376    H    ALA  46           H        ALA  46  -3.176   3.222 -10.863
  377    HA   ALA  46           HA       ALA  46  -3.985   4.631 -12.462
  378   1HB   ALA  46          1HB       ALA  46  -5.514   6.177 -11.715
  379   2HB   ALA  46          2HB       ALA  46  -4.490   6.709 -10.382
  380   3HB   ALA  46          3HB       ALA  46  -5.336   5.165 -10.282
  381    H    GLY  47           H        GLY  47  -1.148   4.797 -11.904
  382   1HA   GLY  47          2HA       GLY  47   0.604   6.037 -12.744
  383   2HA   GLY  47          1HA       GLY  47  -0.573   7.183 -13.369
  384    H    LYS  48           H        LYS  48  -0.754   6.447 -10.019
  385    HA   LYS  48           HA       LYS  48   0.684   8.933  -9.367
  386   1HB   LYS  48          2HB       LYS  48  -1.739   8.045  -7.831
  387   2HB   LYS  48          1HB       LYS  48  -1.000   9.639  -7.900
  388   1HG   LYS  48          2HG       LYS  48  -1.930   8.739 -10.497
  389   2HG   LYS  48          1HG       LYS  48  -3.221   8.806  -9.295
  390   1HD   LYS  48          2HD       LYS  48  -2.320  11.136  -8.731
  391   2HD   LYS  48          1HD       LYS  48  -1.426  11.018 -10.248
  392   1HE   LYS  48          2HE       LYS  48  -4.353  11.254  -9.772
  393   2HE   LYS  48          1HE       LYS  48  -3.338  12.051 -10.973
  394   1HZ   LYS  48          1HZ       LYS  48  -4.707   9.498 -11.104
  395   2HZ   LYS  48          2HZ       LYS  48  -3.142   9.506 -11.744
  396   3HZ   LYS  48          3HZ       LYS  48  -4.305  10.577 -12.344
  397    H    GLN  49           H        GLN  49   2.148   8.776  -7.786
  398    HA   GLN  49           HA       GLN  49   2.540   6.200  -6.513
  399   1HB   GLN  49          2HB       GLN  49   4.334   7.856  -7.506
  400   2HB   GLN  49          1HB       GLN  49   4.231   8.592  -5.912
  401   1HG   GLN  49          2HG       GLN  49   4.501   5.966  -5.275
  402   2HG   GLN  49          1HG       GLN  49   5.456   6.073  -6.753
  403   1HE2  GLN  49          1HE2      GLN  49   7.458   6.828  -6.614
  404   2HE2  GLN  49          2HE2      GLN  49   8.141   7.619  -5.238
  405    H    LEU  50           H        LEU  50   1.051   5.904  -4.918
  406    HA   LEU  50           HA       LEU  50  -0.154   7.664  -3.251
  407   1HB   LEU  50          2HB       LEU  50   0.926   5.117  -2.100
  408   2HB   LEU  50          1HB       LEU  50  -0.616   5.895  -1.797
  409    HG   LEU  50           HG       LEU  50   0.189   4.370  -4.272
  410   1HD1  LEU  50          1HD1      LEU  50  -0.416   2.823  -2.637
  411   2HD1  LEU  50          2HD1      LEU  50  -1.902   3.072  -3.554
  412   3HD1  LEU  50          3HD1      LEU  50  -1.688   3.860  -1.991
  413   1HD2  LEU  50          1HD2      LEU  50  -2.279   6.001  -3.709
  414   2HD2  LEU  50          2HD2      LEU  50  -2.157   4.809  -5.003
  415   3HD2  LEU  50          3HD2      LEU  50  -1.112   6.230  -5.011
  416    H    GLU  51           H        GLU  51   0.468   9.107  -1.790
  417    HA   GLU  51           HA       GLU  51   3.223   9.000  -0.796
  418   1HB   GLU  51          2HB       GLU  51   1.213  11.259  -0.788
  419   2HB   GLU  51          1HB       GLU  51   2.850  11.367  -0.158
  420   1HG   GLU  51          2HG       GLU  51   3.459  10.547  -2.594
  421   2HG   GLU  51          1HG       GLU  51   1.895  11.273  -2.962
  422    H    ASP  52           H        ASP  52   3.706   9.259   1.411
  423    HA   ASP  52           HA       ASP  52   1.899   7.951   3.176
  424   1HB   ASP  52          2HB       ASP  52   4.555   9.316   3.588
  425   2HB   ASP  52          1HB       ASP  52   3.656   8.592   4.916
  426    H    GLY  53           H        GLY  53   1.786  11.026   2.048
  427   1HA   GLY  53          2HA       GLY  53   0.820  12.140   4.598
  428   2HA   GLY  53          1HA       GLY  53   1.352  13.092   3.220
  429    H    ARG  54           H        ARG  54  -0.249  10.884   1.643
  430    HA   ARG  54           HA       ARG  54  -2.796  12.341   1.819
  431   1HB   ARG  54          2HB       ARG  54  -1.236  11.205  -0.399
  432   2HB   ARG  54          1HB       ARG  54  -2.960  10.871  -0.485
  433   1HG   ARG  54          2HG       ARG  54  -2.891  12.839  -1.620
  434   2HG   ARG  54          1HG       ARG  54  -3.135  13.453   0.016
  435   1HD   ARG  54          2HD       ARG  54  -0.332  13.027  -0.769
  436   2HD   ARG  54          1HD       ARG  54  -1.179  14.297  -1.651
  437    HE   ARG  54           HE       ARG  54  -1.786  14.937   0.855
  438   1HH1  ARG  54          2HH1      ARG  54   1.254  14.010  -0.565
  439   2HH1  ARG  54          1HH1      ARG  54   2.204  14.948   0.540
  440   1HH2  ARG  54          1HH2      ARG  54  -0.547  16.173   2.316
  441   2HH2  ARG  54          2HH2      ARG  54   1.179  16.175   2.180
  442    H    THR  55           H        THR  55  -4.720  10.936   1.070
  443    HA   THR  55           HA       THR  55  -4.559   8.320   2.421
  444    HB   THR  55           HB       THR  55  -6.921   8.605   3.079
  445    HG1  THR  55           HG1      THR  55  -6.656  11.314   2.258
  446   1HG2  THR  55          1HG2      THR  55  -4.672   9.941   4.161
  447   2HG2  THR  55          2HG2      THR  55  -6.130   9.409   4.999
  448   3HG2  THR  55          3HG2      THR  55  -6.052  11.030   4.309
  449    H    LEU  56           H        LEU  56  -5.940   6.654   1.616
  450    HA   LEU  56           HA       LEU  56  -5.907   6.193  -1.060
  451   1HB   LEU  56          2HB       LEU  56  -8.239   5.260   0.583
  452   2HB   LEU  56          1HB       LEU  56  -7.415   4.423  -0.720
  453    HG   LEU  56           HG       LEU  56  -6.634   4.690   2.147
  454   1HD1  LEU  56          1HD1      LEU  56  -5.812   2.264   1.114
  455   2HD1  LEU  56          2HD1      LEU  56  -7.318   2.598   0.259
  456   3HD1  LEU  56          3HD1      LEU  56  -7.293   2.568   2.022
  457   1HD2  LEU  56          1HD2      LEU  56  -4.379   3.658   1.122
  458   2HD2  LEU  56          2HD2      LEU  56  -4.584   5.369   1.495
  459   3HD2  LEU  56          3HD2      LEU  56  -4.798   4.795  -0.159
  460    H    SER  57           H        SER  57  -8.397   7.921   0.739
  461    HA   SER  57           HA       SER  57 -10.295   8.146  -1.312
  462   1HB   SER  57          2HB       SER  57 -11.416   9.611   0.081
  463   2HB   SER  57          1HB       SER  57 -10.383   8.790   1.250
  464    HG   SER  57           HG       SER  57  -8.860  10.623   0.676
  465    H    ASP  58           H        ASP  58  -7.331   9.859  -0.706
  466    HA   ASP  58           HA       ASP  58  -7.800  12.155  -2.255
  467   1HB   ASP  58          2HB       ASP  58  -5.275  10.706  -1.476
  468   2HB   ASP  58          1HB       ASP  58  -5.245  12.173  -2.449
  469    H    TYR  59           H        TYR  59  -6.822   8.907  -3.115
  470    HA   TYR  59           HA       TYR  59  -6.493   9.723  -5.915
  471   1HB   TYR  59          2HB       TYR  59  -5.849   7.043  -4.675
  472   2HB   TYR  59          1HB       TYR  59  -5.381   7.612  -6.274
  473    HD1  TYR  59           HD1      TYR  59  -3.406   8.879  -6.587
  474    HD2  TYR  59           HD2      TYR  59  -4.846   8.146  -2.642
  475    HE1  TYR  59           HE1      TYR  59  -1.298   9.758  -5.661
  476    HE2  TYR  59           HE2      TYR  59  -2.743   9.024  -1.705
  477    HH   TYR  59           HH       TYR  59   0.027   9.555  -3.577
  478    H    ASN  60           H        ASN  60  -9.029   9.196  -4.235
  479    HA   ASN  60           HA       ASN  60 -11.078   8.223  -4.488
  480   1HB   ASN  60          2HB       ASN  60 -10.593   9.603  -6.688
  481   2HB   ASN  60          1HB       ASN  60 -10.598   8.006  -7.430
  482   1HD2  ASN  60          1HD2      ASN  60 -12.486   7.032  -7.835
  483   2HD2  ASN  60          2HD2      ASN  60 -14.033   7.663  -7.399
  484    H    ILE  61           H        ILE  61  -9.409   6.337  -3.649
  485    HA   ILE  61           HA       ILE  61  -9.266   4.077  -5.408
  486    HB   ILE  61           HB       ILE  61  -8.793   4.313  -2.437
  487   1HG1  ILE  61          2HG1      ILE  61  -7.040   4.379  -4.875
  488   2HG1  ILE  61          1HG1      ILE  61  -7.059   5.471  -3.494
  489   1HG2  ILE  61          1HG2      ILE  61  -9.469   2.052  -2.938
  490   2HG2  ILE  61          2HG2      ILE  61  -7.735   2.089  -2.623
  491   3HG2  ILE  61          3HG2      ILE  61  -8.329   1.972  -4.280
  492   1HD1  ILE  61          1HD1      ILE  61  -5.078   4.198  -3.345
  493   2HD1  ILE  61          2HD1      ILE  61  -5.945   2.687  -3.623
  494   3HD1  ILE  61          3HD1      ILE  61  -6.176   3.572  -2.114
  495    H    GLN  62           H        GLN  62 -10.841   2.691  -5.841
  496    HA   GLN  62           HA       GLN  62 -13.160   2.580  -4.039
  497   1HB   GLN  62          2HB       GLN  62 -12.858   1.802  -6.943
  498   2HB   GLN  62          1HB       GLN  62 -14.313   1.520  -5.999
  499   1HG   GLN  62          2HG       GLN  62 -13.106   4.238  -6.441
  500   2HG   GLN  62          1HG       GLN  62 -14.371   3.544  -7.453
  501   1HE2  GLN  62          1HE2      GLN  62 -14.214   5.889  -5.551
  502   2HE2  GLN  62          2HE2      GLN  62 -15.595   5.698  -4.530
  503    H    LYS  63           H        LYS  63 -14.293   0.327  -4.158
  504    HA   LYS  63           HA       LYS  63 -12.473  -1.554  -3.032
  505   1HB   LYS  63          2HB       LYS  63 -15.163  -2.476  -3.866
  506   2HB   LYS  63          1HB       LYS  63 -14.321  -2.694  -2.339
  507   1HG   LYS  63          2HG       LYS  63 -14.751  -0.161  -2.021
  508   2HG   LYS  63          1HG       LYS  63 -15.974  -0.389  -3.272
  509   1HD   LYS  63          2HD       LYS  63 -16.430  -2.497  -1.559
  510   2HD   LYS  63          1HD       LYS  63 -15.999  -1.179  -0.467
  511   1HE   LYS  63          2HE       LYS  63 -18.418  -1.286  -0.887
  512   2HE   LYS  63          1HE       LYS  63 -17.710   0.230  -1.444
  513   1HZ   LYS  63          1HZ       LYS  63 -18.593  -0.180  -3.416
  514   2HZ   LYS  63          2HZ       LYS  63 -19.142  -1.701  -2.921
  515   3HZ   LYS  63          3HZ       LYS  63 -17.592  -1.535  -3.576
  516    H    GLU  64           H        GLU  64 -12.178  -3.765  -3.763
  517    HA   GLU  64           HA       GLU  64 -11.613  -5.351  -5.293
  518   1HB   GLU  64          2HB       GLU  64 -13.287  -3.998  -7.379
  519   2HB   GLU  64          1HB       GLU  64 -13.003  -5.715  -7.129
  520   1HG   GLU  64          2HG       GLU  64 -14.249  -5.058  -4.816
  521   2HG   GLU  64          1HG       GLU  64 -15.011  -3.937  -5.944
  522    H    SER  65           H        SER  65 -10.609  -2.341  -5.335
  523    HA   SER  65           HA       SER  65  -9.452  -2.105  -7.949
  524   1HB   SER  65          2HB       SER  65  -8.785  -0.598  -5.408
  525   2HB   SER  65          1HB       SER  65  -8.308  -0.140  -7.043
  526    HG   SER  65           HG       SER  65 -10.777  -0.298  -7.350
  527    H    THR  66           H        THR  66  -7.218  -2.195  -8.469
  528    HA   THR  66           HA       THR  66  -5.668  -3.957  -6.685
  529    HB   THR  66           HB       THR  66  -5.569  -3.756  -9.702
  530    HG1  THR  66           HG1      THR  66  -6.111  -6.145  -8.364
  531   1HG2  THR  66          1HG2      THR  66  -4.084  -5.857  -9.322
  532   2HG2  THR  66          2HG2      THR  66  -3.834  -5.176  -7.714
  533   3HG2  THR  66          3HG2      THR  66  -3.369  -4.254  -9.143
  534    H    ILE  67           H        ILE  67  -3.498  -3.519  -6.339
  535    HA   ILE  67           HA       ILE  67  -2.464  -0.998  -7.450
  536    HB   ILE  67           HB       ILE  67  -2.247  -1.876  -4.569
  537   1HG1  ILE  67          2HG1      ILE  67  -3.324   0.661  -4.633
  538   2HG1  ILE  67          1HG1      ILE  67  -4.081  -0.113  -6.022
  539   1HG2  ILE  67          1HG2      ILE  67  -0.261  -0.672  -5.726
  540   2HG2  ILE  67          2HG2      ILE  67  -0.823  -0.103  -4.154
  541   3HG2  ILE  67          3HG2      ILE  67  -1.294   0.753  -5.622
  542   1HD1  ILE  67          1HD1      ILE  67  -4.840  -0.301  -3.350
  543   2HD1  ILE  67          2HD1      ILE  67  -4.133  -1.866  -3.751
  544   3HD1  ILE  67          3HD1      ILE  67  -5.467  -1.229  -4.713
  545    H    HIS  68           H        HIS  68  -0.298  -0.950  -7.921
  546    HA   HIS  68           HA       HIS  68   1.081  -3.534  -7.790
  547   1HB   HIS  68          2HB       HIS  68   1.816  -1.091  -9.412
  548   2HB   HIS  68          1HB       HIS  68   2.507  -2.704  -9.562
  549    HD1  HIS  68           HD1      HIS  68   0.509  -4.591 -10.162
  550    HD2  HIS  68           HD2      HIS  68  -0.087  -0.630 -11.265
  551    HE1  HIS  68           HE1      HIS  68  -1.244  -4.652 -11.965
  552    HE2  HIS  68           HE2      HIS  68  -1.649  -2.236 -12.557
  553    H    LEU  69           H        LEU  69   2.981  -3.817  -6.731
  554    HA   LEU  69           HA       LEU  69   4.053  -1.482  -5.287
  555   1HB   LEU  69          2HB       LEU  69   3.131  -2.831  -3.624
  556   2HB   LEU  69          1HB       LEU  69   3.623  -4.315  -4.418
  557    HG   LEU  69           HG       LEU  69   6.036  -3.544  -3.893
  558   1HD1  LEU  69          1HD1      LEU  69   6.266  -2.124  -1.950
  559   2HD1  LEU  69          2HD1      LEU  69   4.517  -1.919  -1.859
  560   3HD1  LEU  69          3HD1      LEU  69   5.412  -1.260  -3.228
  561   1HD2  LEU  69          1HD2      LEU  69   4.069  -4.534  -1.845
  562   2HD2  LEU  69          2HD2      LEU  69   5.806  -4.464  -1.549
  563   3HD2  LEU  69          3HD2      LEU  69   5.172  -5.478  -2.846
  564    H    VAL  70           H        VAL  70   6.151  -1.026  -5.517
  565    HA   VAL  70           HA       VAL  70   7.913  -3.062  -6.708
  566    HB   VAL  70           HB       VAL  70   8.990  -0.719  -7.635
  567   1HG1  VAL  70          1HG1      VAL  70   8.199  -3.070  -8.682
  568   2HG1  VAL  70          2HG1      VAL  70   8.742  -1.702  -9.653
  569   3HG1  VAL  70          3HG1      VAL  70   7.018  -1.991  -9.424
  570   1HG2  VAL  70          1HG2      VAL  70   7.365   0.732  -8.447
  571   2HG2  VAL  70          2HG2      VAL  70   6.765   0.331  -6.837
  572   3HG2  VAL  70          3HG2      VAL  70   6.070  -0.449  -8.258
  573    H    LEU  71           H        LEU  71   9.924  -3.205  -5.848
  574    HA   LEU  71           HA       LEU  71  10.482  -2.239  -3.319
  575   1HB   LEU  71          2HB       LEU  71  12.103  -3.394  -5.520
  576   2HB   LEU  71          1HB       LEU  71  12.980  -2.563  -4.251
  577    HG   LEU  71           HG       LEU  71  12.448  -5.174  -4.161
  578   1HD1  LEU  71          1HD1      LEU  71  12.144  -4.173  -1.489
  579   2HD1  LEU  71          2HD1      LEU  71  13.321  -3.204  -2.376
  580   3HD1  LEU  71          3HD1      LEU  71  13.537  -4.951  -2.244
  581   1HD2  LEU  71          1HD2      LEU  71  10.521  -5.749  -2.981
  582   2HD2  LEU  71          2HD2      LEU  71   9.958  -4.581  -4.176
  583   3HD2  LEU  71          3HD2      LEU  71  10.203  -4.082  -2.502
  584    H    ARG  72           H        ARG  72  10.857  -0.737  -6.414
  585    HA   ARG  72           HA       ARG  72  11.014   1.863  -5.499
  586   1HB   ARG  72          2HB       ARG  72  13.135   1.416  -4.499
  587   2HB   ARG  72          1HB       ARG  72  13.704   0.585  -5.940
  588   1HG   ARG  72          2HG       ARG  72  14.642   2.487  -6.578
  589   2HG   ARG  72          1HG       ARG  72  13.022   3.151  -6.798
  590   1HD   ARG  72          2HD       ARG  72  13.930   3.152  -4.020
  591   2HD   ARG  72          1HD       ARG  72  14.930   4.132  -5.094
  592    HE   ARG  72           HE       ARG  72  13.158   5.584  -5.389
  593   1HH1  ARG  72          2HH1      ARG  72  12.126   2.754  -3.644
  594   2HH1  ARG  72          1HH1      ARG  72  10.599   3.433  -3.186
  595   1HH2  ARG  72          1HH2      ARG  72  11.150   6.491  -4.791
  596   2HH2  ARG  72          2HH2      ARG  72  10.044   5.557  -3.840
  597    H    LEU  73           H        LEU  73   9.561   1.199  -7.444
  598    HA   LEU  73           HA       LEU  73   9.001   1.651  -9.601
  599   1HB   LEU  73          2HB       LEU  73  10.009   3.399 -10.624
  600   2HB   LEU  73          1HB       LEU  73  10.733   3.599  -9.041
  601    HG   LEU  73           HG       LEU  73  12.519   1.916 -10.269
  602   1HD1  LEU  73          1HD1      LEU  73  12.373   3.884 -12.384
  603   2HD1  LEU  73          2HD1      LEU  73  10.949   2.846 -12.349
  604   3HD1  LEU  73          3HD1      LEU  73  12.556   2.133 -12.480
  605   1HD2  LEU  73          1HD2      LEU  73  12.565   4.930 -10.280
  606   2HD2  LEU  73          2HD2      LEU  73  13.961   3.858 -10.399
  607   3HD2  LEU  73          3HD2      LEU  73  13.010   3.906  -8.915
  608    H    ARG  74           H        ARG  74   9.512   1.016 -11.852
  609    HA   ARG  74           HA       ARG  74  10.692  -1.597 -11.879
  610   1HB   ARG  74          2HB       ARG  74   9.336   0.125 -13.932
  611   2HB   ARG  74          1HB       ARG  74  10.148  -1.361 -14.405
  612   1HG   ARG  74          2HG       ARG  74   8.719  -2.593 -12.796
  613   2HG   ARG  74          1HG       ARG  74   7.849  -1.090 -12.482
  614   1HD   ARG  74          2HD       ARG  74   8.065  -1.621 -15.316
  615   2HD   ARG  74          1HD       ARG  74   7.301  -2.963 -14.467
  616    HE   ARG  74           HE       ARG  74   6.084  -0.538 -15.097
  617   1HH1  ARG  74          2HH1      ARG  74   6.479  -2.636 -12.346
  618   2HH1  ARG  74          1HH1      ARG  74   4.982  -2.169 -11.611
  619   1HH2  ARG  74          1HH2      ARG  74   4.109   0.085 -14.138
  620   2HH2  ARG  74          2HH2      ARG  74   3.634  -0.623 -12.630
  621    H    GLY  75           H        GLY  75  11.226   0.595 -14.555
  622   1HA   GLY  75          2HA       GLY  75  13.367   1.765 -14.854
  623   2HA   GLY  75          1HA       GLY  75  14.133   0.393 -14.066
  624    H    GLY  76           HN       GLY  76  15.449   0.641 -16.118
  625   1HA   GLY  76          2HA       GLY  76  14.583  -1.407 -17.961
  626   2HA   GLY  76          1HA       GLY  76  14.675   0.195 -18.674
  Start of MODEL    5
    1   2H    MET   1          2H        MET   1 -15.341  -3.404   1.977
    2   3H    MET   1          3H        MET   1 -14.325  -3.031   3.275
    3   1H    MET   1          1H        MET   1 -14.131  -4.490   2.441
    4    HA   MET   1           HA       MET   1 -13.893  -2.759   0.437
    5   1HB   MET   1          2HB       MET   1 -14.005  -0.831   1.918
    6   2HB   MET   1          1HB       MET   1 -12.697  -1.475   2.900
    7   1HG   MET   1          2HG       MET   1 -11.467  -0.062   1.662
    8   2HG   MET   1          1HG       MET   1 -11.465  -1.413   0.529
    9   1HE   MET   1          1HE       MET   1 -11.694   2.371   0.286
   10   2HE   MET   1          2HE       MET   1 -11.706   2.038  -1.446
   11   3HE   MET   1          3HE       MET   1 -10.623   1.140  -0.383
   12    H    GLN   2           H        GLN   2 -13.030  -4.865  -0.030
   13    HA   GLN   2           HA       GLN   2 -10.373  -5.423   1.066
   14   1HB   GLN   2          2HB       GLN   2 -12.303  -7.152   0.854
   15   2HB   GLN   2          1HB       GLN   2 -11.839  -7.217  -0.840
   16   1HG   GLN   2          2HG       GLN   2 -10.117  -8.535  -0.398
   17   2HG   GLN   2          1HG       GLN   2  -9.532  -7.455   0.867
   18   1HE2  GLN   2          1HE2      GLN   2 -12.211  -9.723   0.333
   19   2HE2  GLN   2          2HE2      GLN   2 -12.111 -10.473   1.886
   20    H    VAL   3           H        VAL   3  -8.725  -4.576   0.022
   21    HA   VAL   3           HA       VAL   3  -8.902  -4.126  -2.871
   22    HB   VAL   3           HB       VAL   3  -6.834  -2.761  -2.557
   23   1HG1  VAL   3          1HG1      VAL   3  -9.485  -2.181  -1.448
   24   2HG1  VAL   3          2HG1      VAL   3  -8.508  -1.265  -2.595
   25   3HG1  VAL   3          3HG1      VAL   3  -8.197  -1.126  -0.865
   26   1HG2  VAL   3          1HG2      VAL   3  -5.964  -3.849  -0.565
   27   2HG2  VAL   3          2HG2      VAL   3  -7.353  -3.290   0.367
   28   3HG2  VAL   3          3HG2      VAL   3  -6.194  -2.125  -0.273
   29    H    PHE   4           H        PHE   4  -6.953  -4.562  -4.179
   30    HA   PHE   4           HA       PHE   4  -5.537  -6.960  -3.218
   31   1HB   PHE   4          2HB       PHE   4  -6.105  -6.375  -6.118
   32   2HB   PHE   4          1HB       PHE   4  -5.613  -7.900  -5.389
   33    HD1  PHE   4           HD1      PHE   4  -7.219  -9.515  -5.116
   34    HD2  PHE   4           HD2      PHE   4  -8.393  -5.416  -5.143
   35    HE1  PHE   4           HE1      PHE   4  -9.582 -10.195  -4.941
   36    HE2  PHE   4           HE2      PHE   4 -10.758  -6.087  -4.966
   37    HZ   PHE   4           HZ       PHE   4 -11.354  -8.479  -4.864
   38    H    LEU   5           H        LEU   5  -3.357  -7.185  -3.717
   39    HA   LEU   5           HA       LEU   5  -2.055  -4.861  -4.961
   40   1HB   LEU   5          2HB       LEU   5  -1.854  -4.615  -2.550
   41   2HB   LEU   5          1HB       LEU   5  -1.213  -6.239  -2.412
   42    HG   LEU   5           HG       LEU   5   0.609  -5.222  -4.093
   43   1HD1  LEU   5          1HD1      LEU   5   0.566  -2.864  -2.423
   44   2HD1  LEU   5          2HD1      LEU   5  -0.870  -2.967  -3.441
   45   3HD1  LEU   5          3HD1      LEU   5   0.734  -3.005  -4.172
   46   1HD2  LEU   5          1HD2      LEU   5   0.452  -5.188  -1.104
   47   2HD2  LEU   5          2HD2      LEU   5   1.889  -4.596  -1.939
   48   3HD2  LEU   5          3HD2      LEU   5   1.363  -6.265  -2.162
   49    H    LYS   6           H        LYS   6  -0.270  -5.291  -6.201
   50    HA   LYS   6           HA       LYS   6   0.324  -8.143  -6.628
   51   1HB   LYS   6          2HB       LYS   6  -0.570  -6.342  -8.465
   52   2HB   LYS   6          1HB       LYS   6   1.168  -6.214  -8.691
   53   1HG   LYS   6          2HG       LYS   6   1.366  -8.483  -9.277
   54   2HG   LYS   6          1HG       LYS   6  -0.258  -8.854  -8.693
   55   1HD   LYS   6          2HD       LYS   6  -0.853  -6.982 -10.525
   56   2HD   LYS   6          1HD       LYS   6   0.615  -7.648 -11.245
   57   1HE   LYS   6          2HE       LYS   6  -0.545  -9.940 -10.722
   58   2HE   LYS   6          1HE       LYS   6  -2.011  -8.960 -10.715
   59   1HZ   LYS   6          1HZ       LYS   6  -1.193 -10.045 -12.904
   60   2HZ   LYS   6          2HZ       LYS   6  -0.128  -8.732 -12.962
   61   3HZ   LYS   6          3HZ       LYS   6  -1.798  -8.465 -12.932
   62    H    THR   7           H        THR   7   2.448  -8.836  -6.764
   63    HA   THR   7           HA       THR   7   4.424  -6.955  -5.679
   64    HB   THR   7           HB       THR   7   5.664  -8.823  -4.868
   65    HG1  THR   7           HG1      THR   7   3.883 -10.390  -6.445
   66   1HG2  THR   7          1HG2      THR   7   4.087  -9.898  -3.380
   67   2HG2  THR   7          2HG2      THR   7   2.742  -9.446  -4.428
   68   3HG2  THR   7          3HG2      THR   7   3.648  -8.201  -3.568
   69    H    LEU   8           H        LEU   8   6.755  -8.226  -6.351
   70    HA   LEU   8           HA       LEU   8   7.032  -7.451  -9.110
   71   1HB   LEU   8          2HB       LEU   8   9.094  -8.655  -7.267
   72   2HB   LEU   8          1HB       LEU   8   9.403  -7.827  -8.780
   73    HG   LEU   8           HG       LEU   8   8.259  -6.551  -6.294
   74   1HD1  LEU   8          1HD1      LEU   8  10.499  -6.925  -5.799
   75   2HD1  LEU   8          2HD1      LEU   8  10.500  -5.296  -6.472
   76   3HD1  LEU   8          3HD1      LEU   8  11.013  -6.660  -7.465
   77   1HD2  LEU   8          1HD2      LEU   8   9.293  -4.692  -8.180
   78   2HD2  LEU   8          2HD2      LEU   8   7.642  -4.853  -7.579
   79   3HD2  LEU   8          3HD2      LEU   8   8.152  -5.751  -9.010
   80    H    THR   9           H        THR   9   6.107 -10.274  -7.618
   81    HA   THR   9           HA       THR   9   7.329 -12.008  -9.642
   82    HB   THR   9           HB       THR   9   6.661 -13.884  -8.303
   83    HG1  THR   9           HG1      THR   9   5.326 -12.021  -6.605
   84   1HG2  THR   9          1HG2      THR   9   7.547 -11.913  -6.229
   85   2HG2  THR   9          2HG2      THR   9   8.610 -12.325  -7.575
   86   3HG2  THR   9          3HG2      THR   9   8.056 -13.584  -6.472
   87    H    GLY  10           H        GLY  10   4.252 -10.723  -8.593
   88   1HA   GLY  10          2HA       GLY  10   2.668 -10.523 -10.544
   89   2HA   GLY  10          1HA       GLY  10   2.929 -12.249 -10.749
   90    H    LYS  11           H        LYS  11   2.793 -13.185  -8.186
   91    HA   LYS  11           HA       LYS  11   0.336 -13.887  -7.640
   92   1HB   LYS  11          2HB       LYS  11   0.920 -14.314  -5.440
   93   2HB   LYS  11          1HB       LYS  11   2.488 -14.192  -6.228
   94   1HG   LYS  11          2HG       LYS  11   2.542 -11.784  -5.491
   95   2HG   LYS  11          1HG       LYS  11   1.126 -12.146  -4.501
   96   1HD   LYS  11          2HD       LYS  11   3.242 -14.100  -4.145
   97   2HD   LYS  11          1HD       LYS  11   3.774 -12.463  -3.761
   98   1HE   LYS  11          2HE       LYS  11   2.013 -12.186  -2.172
   99   2HE   LYS  11          1HE       LYS  11   1.249 -13.693  -2.678
  100   1HZ   LYS  11          1HZ       LYS  11   2.770 -13.574  -0.560
  101   2HZ   LYS  11          2HZ       LYS  11   4.002 -13.812  -1.694
  102   3HZ   LYS  11          3HZ       LYS  11   2.756 -14.946  -1.550
  103    H    THR  12           H        THR  12  -1.442 -13.248  -6.390
  104    HA   THR  12           HA       THR  12  -1.791 -10.326  -6.192
  105    HB   THR  12           HB       THR  12  -4.052 -12.294  -6.510
  106    HG1  THR  12           HG1      THR  12  -2.238 -11.438  -8.377
  107   1HG2  THR  12          1HG2      THR  12  -3.992  -9.593  -5.891
  108   2HG2  THR  12          2HG2      THR  12  -5.384 -10.497  -6.488
  109   3HG2  THR  12          3HG2      THR  12  -4.348  -9.625  -7.618
  110    H    VAL  13           H        VAL  13  -2.162  -9.521  -4.232
  111    HA   VAL  13           HA       VAL  13  -2.829 -11.393  -2.063
  112    HB   VAL  13           HB       VAL  13  -2.057  -9.270  -0.675
  113   1HG1  VAL  13          1HG1      VAL  13  -1.055 -11.669  -0.994
  114   2HG1  VAL  13          2HG1      VAL  13  -0.093 -10.389  -0.255
  115   3HG1  VAL  13          3HG1      VAL  13   0.155 -10.812  -1.949
  116   1HG2  VAL  13          1HG2      VAL  13  -0.337  -8.976  -3.120
  117   2HG2  VAL  13          2HG2      VAL  13  -0.430  -7.925  -1.706
  118   3HG2  VAL  13          3HG2      VAL  13  -1.771  -7.984  -2.851
  119    H    THR  14           H        THR  14  -4.518 -11.004  -0.687
  120    HA   THR  14           HA       THR  14  -6.287  -8.754  -1.403
  121    HB   THR  14           HB       THR  14  -7.657 -10.886  -0.004
  122    HG1  THR  14           HG1      THR  14  -6.749 -11.629  -2.581
  123   1HG2  THR  14          1HG2      THR  14  -8.390 -10.413  -2.781
  124   2HG2  THR  14          2HG2      THR  14  -8.226  -8.918  -1.861
  125   3HG2  THR  14          3HG2      THR  14  -9.333 -10.177  -1.309
  126    H    ILE  15           H        ILE  15  -5.995  -7.243   0.119
  127    HA   ILE  15           HA       ILE  15  -6.028  -8.098   2.940
  128    HB   ILE  15           HB       ILE  15  -4.751  -5.612   1.797
  129   1HG1  ILE  15          2HG1      ILE  15  -3.233  -7.824   3.121
  130   2HG1  ILE  15          1HG1      ILE  15  -3.713  -8.011   1.437
  131   1HG2  ILE  15          1HG2      ILE  15  -3.721  -5.653   4.180
  132   2HG2  ILE  15          2HG2      ILE  15  -5.123  -6.648   4.575
  133   3HG2  ILE  15          3HG2      ILE  15  -5.349  -5.016   3.947
  134   1HD1  ILE  15          1HD1      ILE  15  -1.808  -6.072   2.656
  135   2HD1  ILE  15          2HD1      ILE  15  -2.615  -5.684   1.136
  136   3HD1  ILE  15          3HD1      ILE  15  -1.604  -7.123   1.255
  137    H    GLU  16           H        GLU  16  -7.025  -6.599   4.455
  138    HA   GLU  16           HA       GLU  16  -9.356  -5.295   3.250
  139   1HB   GLU  16          2HB       GLU  16  -9.765  -7.018   4.970
  140   2HB   GLU  16          1HB       GLU  16  -8.844  -6.068   6.129
  141   1HG   GLU  16          2HG       GLU  16 -11.118  -5.659   6.580
  142   2HG   GLU  16          1HG       GLU  16 -10.504  -4.217   5.771
  143    H    VAL  17           H        VAL  17  -9.435  -3.164   3.099
  144    HA   VAL  17           HA       VAL  17  -8.046  -1.518   5.089
  145    HB   VAL  17           HB       VAL  17  -7.044  -0.091   3.462
  146   1HG1  VAL  17          1HG1      VAL  17  -5.560  -1.825   3.850
  147   2HG1  VAL  17          2HG1      VAL  17  -5.690  -1.828   2.091
  148   3HG1  VAL  17          3HG1      VAL  17  -6.580  -3.016   3.043
  149   1HG2  VAL  17          1HG2      VAL  17  -7.243  -0.635   1.007
  150   2HG2  VAL  17          2HG2      VAL  17  -8.695   0.017   1.764
  151   3HG2  VAL  17          3HG2      VAL  17  -8.571  -1.712   1.438
  152    H    GLU  18           H        GLU  18  -8.751   0.778   5.007
  153    HA   GLU  18           HA       GLU  18 -11.578   0.943   4.199
  154   1HB   GLU  18          2HB       GLU  18 -10.160   2.550   6.329
  155   2HB   GLU  18          1HB       GLU  18 -11.880   2.580   5.968
  156   1HG   GLU  18          2HG       GLU  18 -12.173   1.006   7.488
  157   2HG   GLU  18          1HG       GLU  18 -11.259  -0.101   6.464
  158    HA   PRO  19           HA       PRO  19 -10.743   4.053   1.204
  159   1HB   PRO  19          2HB       PRO  19 -13.116   5.456   2.320
  160   2HB   PRO  19          1HB       PRO  19 -12.782   4.953   0.660
  161   1HG   PRO  19          2HG       PRO  19 -14.537   3.624   2.164
  162   2HG   PRO  19          1HG       PRO  19 -13.458   2.769   1.046
  163   1HD   PRO  19          2HD       PRO  19 -13.295   3.027   4.019
  164   2HD   PRO  19          1HD       PRO  19 -12.899   1.641   2.982
  165    H    SER  20           H        SER  20 -11.539   5.072   4.493
  166    HA   SER  20           HA       SER  20 -10.274   7.652   4.140
  167   1HB   SER  20          2HB       SER  20 -10.746   7.666   6.740
  168   2HB   SER  20          1HB       SER  20 -12.060   7.883   5.584
  169    HG   SER  20           HG       SER  20 -11.454   5.700   7.212
  170    H    ASP  21           H        ASP  21  -8.812   4.936   4.086
  171    HA   ASP  21           HA       ASP  21  -6.975   5.213   6.315
  172   1HB   ASP  21          2HB       ASP  21  -7.250   3.236   4.064
  173   2HB   ASP  21          1HB       ASP  21  -5.810   3.266   5.077
  174    H    THR  22           H        THR  22  -4.664   5.413   6.006
  175    HA   THR  22           HA       THR  22  -4.043   7.218   3.777
  176    HB   THR  22           HB       THR  22  -1.944   7.674   5.194
  177    HG1  THR  22           HG1      THR  22  -2.294   7.212   7.447
  178   1HG2  THR  22          1HG2      THR  22  -4.516   8.480   6.526
  179   2HG2  THR  22          2HG2      THR  22  -4.047   9.116   4.950
  180   3HG2  THR  22          3HG2      THR  22  -3.025   9.407   6.358
  181    H    VAL  23           H        VAL  23  -2.060   7.006   2.629
  182    HA   VAL  23           HA       VAL  23  -1.472   4.444   1.728
  183    HB   VAL  23           HB       VAL  23   0.370   6.838   1.651
  184   1HG1  VAL  23          1HG1      VAL  23   1.469   4.707   1.119
  185   2HG1  VAL  23          2HG1      VAL  23   1.367   5.767  -0.287
  186   3HG1  VAL  23          3HG1      VAL  23   0.258   4.405  -0.127
  187   1HG2  VAL  23          1HG2      VAL  23  -0.708   7.595  -0.242
  188   2HG2  VAL  23          2HG2      VAL  23  -2.062   6.991   0.713
  189   3HG2  VAL  23          3HG2      VAL  23  -1.407   6.017  -0.604
  190    H    GLU  24           H        GLU  24   0.037   6.364   4.267
  191    HA   GLU  24           HA       GLU  24   2.299   4.814   4.747
  192   1HB   GLU  24          2HB       GLU  24   2.197   6.884   5.856
  193   2HB   GLU  24          1HB       GLU  24   0.602   6.553   6.517
  194   1HG   GLU  24          2HG       GLU  24   1.423   5.219   8.200
  195   2HG   GLU  24          1HG       GLU  24   2.908   4.848   7.324
  196    H    ASN  25           H        ASN  25  -0.995   4.491   6.007
  197    HA   ASN  25           HA       ASN  25  -0.492   2.358   7.772
  198   1HB   ASN  25          2HB       ASN  25  -2.547   3.467   8.071
  199   2HB   ASN  25          1HB       ASN  25  -2.967   3.337   6.365
  200   1HD2  ASN  25          1HD2      ASN  25  -4.998   2.528   7.213
  201   2HD2  ASN  25          2HD2      ASN  25  -5.133   0.853   7.613
  202    H    PHE  26           H        PHE  26  -1.661   2.385   4.415
  203    HA   PHE  26           HA       PHE  26  -1.943  -0.357   4.056
  204   1HB   PHE  26          2HB       PHE  26  -2.669   1.441   2.455
  205   2HB   PHE  26          1HB       PHE  26  -0.988   1.593   1.953
  206    HD1  PHE  26           HD1      PHE  26  -2.557  -1.619   2.814
  207    HD2  PHE  26           HD2      PHE  26  -1.348   0.994  -0.332
  208    HE1  PHE  26           HE1      PHE  26  -2.883  -3.438   1.184
  209    HE2  PHE  26           HE2      PHE  26  -1.674  -0.820  -1.969
  210    HZ   PHE  26           HZ       PHE  26  -2.443  -3.039  -1.211
  211    H    LYS  27           H        LYS  27   0.917   1.689   3.754
  212    HA   LYS  27           HA       LYS  27   2.642  -0.276   2.693
  213   1HB   LYS  27          2HB       LYS  27   3.267   2.179   4.342
  214   2HB   LYS  27          1HB       LYS  27   4.465   1.219   3.484
  215   1HG   LYS  27          2HG       LYS  27   2.433   1.907   1.637
  216   2HG   LYS  27          1HG       LYS  27   2.885   3.367   2.519
  217   1HD   LYS  27          2HD       LYS  27   5.322   2.529   2.054
  218   2HD   LYS  27          1HD       LYS  27   4.545   1.623   0.754
  219   1HE   LYS  27          2HE       LYS  27   5.217   3.646  -0.230
  220   2HE   LYS  27          1HE       LYS  27   3.487   3.830   0.063
  221   1HZ   LYS  27          1HZ       LYS  27   3.856   5.542   1.404
  222   2HZ   LYS  27          2HZ       LYS  27   5.462   5.540   0.874
  223   3HZ   LYS  27          3HZ       LYS  27   5.039   4.713   2.286
  224    H    ALA  28           H        ALA  28   1.792   0.631   5.989
  225    HA   ALA  28           HA       ALA  28   3.757  -0.893   7.316
  226   1HB   ALA  28          1HB       ALA  28   1.457   0.672   8.037
  227   2HB   ALA  28          2HB       ALA  28   2.882   0.269   8.995
  228   3HB   ALA  28          3HB       ALA  28   1.497  -0.824   8.971
  229    H    LYS  29           H        LYS  29   0.539  -1.674   6.120
  230    HA   LYS  29           HA       LYS  29   0.384  -4.242   7.329
  231   1HB   LYS  29          2HB       LYS  29  -1.105  -2.861   5.121
  232   2HB   LYS  29          1HB       LYS  29  -1.365  -4.573   5.423
  233   1HG   LYS  29          2HG       LYS  29  -1.926  -3.997   7.784
  234   2HG   LYS  29          1HG       LYS  29  -1.845  -2.294   7.326
  235   1HD   LYS  29          2HD       LYS  29  -3.522  -2.978   5.465
  236   2HD   LYS  29          1HD       LYS  29  -3.813  -4.387   6.490
  237   1HE   LYS  29          2HE       LYS  29  -4.268  -2.819   8.380
  238   2HE   LYS  29          1HE       LYS  29  -4.165  -1.487   7.228
  239   1HZ   LYS  29          1HZ       LYS  29  -6.324  -3.290   7.722
  240   2HZ   LYS  29          2HZ       LYS  29  -5.914  -3.244   6.082
  241   3HZ   LYS  29          3HZ       LYS  29  -6.321  -1.816   6.891
  242    H    ILE  30           H        ILE  30   1.164  -3.175   4.024
  243    HA   ILE  30           HA       ILE  30   1.629  -5.637   2.859
  244    HB   ILE  30           HB       ILE  30   3.100  -3.050   2.338
  245   1HG1  ILE  30          2HG1      ILE  30   0.726  -4.284   0.923
  246   2HG1  ILE  30          1HG1      ILE  30   0.632  -2.948   2.066
  247   1HG2  ILE  30          1HG2      ILE  30   2.936  -5.582   0.715
  248   2HG2  ILE  30          2HG2      ILE  30   4.377  -4.863   1.431
  249   3HG2  ILE  30          3HG2      ILE  30   3.551  -4.047   0.104
  250   1HD1  ILE  30          1HD1      ILE  30   2.111  -2.901  -0.552
  251   2HD1  ILE  30          2HD1      ILE  30   1.952  -1.560   0.582
  252   3HD1  ILE  30          3HD1      ILE  30   0.528  -2.187  -0.247
  253    H    GLN  31           H        GLN  31   3.746  -3.704   4.903
  254    HA   GLN  31           HA       GLN  31   6.122  -5.145   4.500
  255   1HB   GLN  31          2HB       GLN  31   6.048  -2.949   5.600
  256   2HB   GLN  31          1HB       GLN  31   5.203  -3.659   6.968
  257   1HG   GLN  31          2HG       GLN  31   7.445  -5.227   6.759
  258   2HG   GLN  31          1HG       GLN  31   8.040  -3.623   6.330
  259   1HE2  GLN  31          1HE2      GLN  31   9.005  -2.804   8.043
  260   2HE2  GLN  31          2HE2      GLN  31   8.380  -2.795   9.654
  261    H    ASP  32           H        ASP  32   3.529  -5.558   6.886
  262    HA   ASP  32           HA       ASP  32   4.768  -7.719   8.246
  263   1HB   ASP  32          2HB       ASP  32   2.437  -6.165   8.566
  264   2HB   ASP  32          1HB       ASP  32   1.896  -7.836   8.433
  265    H    LYS  33           H        LYS  33   3.492  -7.546   5.176
  266    HA   LYS  33           HA       LYS  33   2.703 -10.376   5.153
  267   1HB   LYS  33          2HB       LYS  33   2.039  -8.041   3.395
  268   2HB   LYS  33          1HB       LYS  33   1.906  -9.677   2.764
  269   1HG   LYS  33          2HG       LYS  33   0.629  -9.468   5.336
  270   2HG   LYS  33          1HG       LYS  33  -0.003  -8.262   4.214
  271   1HD   LYS  33          2HD       LYS  33  -0.042 -10.328   2.568
  272   2HD   LYS  33          1HD       LYS  33  -0.114 -11.235   4.079
  273   1HE   LYS  33          2HE       LYS  33  -2.099  -9.378   2.874
  274   2HE   LYS  33          1HE       LYS  33  -2.347 -10.924   3.684
  275   1HZ   LYS  33          1HZ       LYS  33  -2.199  -8.250   4.802
  276   2HZ   LYS  33          2HZ       LYS  33  -1.418  -9.455   5.696
  277   3HZ   LYS  33          3HZ       LYS  33  -3.064  -9.602   5.336
  278    H    GLU  34           H        GLU  34   4.620  -8.018   3.304
  279    HA   GLU  34           HA       GLU  34   6.054 -10.234   2.029
  280   1HB   GLU  34          2HB       GLU  34   5.573  -7.382   1.339
  281   2HB   GLU  34          1HB       GLU  34   7.082  -8.101   0.796
  282   1HG   GLU  34          2HG       GLU  34   5.207  -9.992   0.112
  283   2HG   GLU  34          1HG       GLU  34   4.375  -8.467  -0.190
  284    H    GLY  35           H        GLY  35   6.398  -7.904   4.500
  285   1HA   GLY  35          2HA       GLY  35   8.119  -7.533   5.980
  286   2HA   GLY  35          1HA       GLY  35   8.951  -8.901   5.258
  287    H    ILE  36           H        ILE  36   8.033  -5.582   4.327
  288    HA   ILE  36           HA       ILE  36  10.825  -5.115   3.550
  289    HB   ILE  36           HB       ILE  36   8.556  -4.132   1.835
  290   1HG1  ILE  36          2HG1      ILE  36  10.251  -6.477   1.049
  291   2HG1  ILE  36          1HG1      ILE  36   8.834  -6.733   2.064
  292   1HG2  ILE  36          1HG2      ILE  36  10.193  -3.536   0.293
  293   2HG2  ILE  36          2HG2      ILE  36  11.398  -4.604   1.013
  294   3HG2  ILE  36          3HG2      ILE  36  10.923  -3.123   1.844
  295   1HD1  ILE  36          1HD1      ILE  36   8.344  -7.089  -0.295
  296   2HD1  ILE  36          2HD1      ILE  36   8.826  -5.429  -0.647
  297   3HD1  ILE  36          3HD1      ILE  36   7.416  -5.743   0.364
  298    HA   PRO  37           HA       PRO  37  10.151  -1.469   5.996
  299   1HB   PRO  37          2HB       PRO  37  12.377  -0.105   5.173
  300   2HB   PRO  37          1HB       PRO  37  12.409  -1.400   6.375
  301   1HG   PRO  37          2HG       PRO  37  13.054  -1.508   3.454
  302   2HG   PRO  37          1HG       PRO  37  13.898  -2.268   4.816
  303   1HD   PRO  37          2HD       PRO  37  12.225  -3.653   3.225
  304   2HD   PRO  37          1HD       PRO  37  12.371  -3.999   4.960
  305    HA   PRO  38           HA       PRO  38   7.773   1.014   3.145
  306   1HB   PRO  38          2HB       PRO  38   8.282   3.004   5.317
  307   2HB   PRO  38          1HB       PRO  38   6.768   2.591   4.504
  308   1HG   PRO  38          2HG       PRO  38   7.288   1.677   6.951
  309   2HG   PRO  38          1HG       PRO  38   6.473   0.656   5.753
  310   1HD   PRO  38          2HD       PRO  38   9.277   0.541   6.749
  311   2HD   PRO  38          1HD       PRO  38   8.219  -0.770   6.190
  312    H    ASP  39           H        ASP  39  10.794   2.029   4.630
  313    HA   ASP  39           HA       ASP  39  11.313   4.360   3.232
  314   1HB   ASP  39          2HB       ASP  39  13.357   2.262   3.988
  315   2HB   ASP  39          1HB       ASP  39  13.660   3.975   3.711
  316    H    GLN  40           H        GLN  40  11.169   1.142   2.068
  317    HA   GLN  40           HA       GLN  40  12.235   2.043  -0.524
  318   1HB   GLN  40          2HB       GLN  40  12.513  -0.713   0.688
  319   2HB   GLN  40          1HB       GLN  40  13.051  -0.247  -0.920
  320   1HG   GLN  40          2HG       GLN  40  14.671   1.270   0.012
  321   2HG   GLN  40          1HG       GLN  40  14.074   0.959   1.640
  322   1HE2  GLN  40          1HE2      GLN  40  15.403  -0.270   2.742
  323   2HE2  GLN  40          2HE2      GLN  40  16.322  -1.597   2.127
  324    H    GLN  41           H        GLN  41   9.471   1.880   0.646
  325    HA   GLN  41           HA       GLN  41   8.256  -0.118  -1.117
  326   1HB   GLN  41          2HB       GLN  41   7.291   1.417   1.271
  327   2HB   GLN  41          1HB       GLN  41   6.130   0.725   0.147
  328   1HG   GLN  41          2HG       GLN  41   7.512  -1.457   0.513
  329   2HG   GLN  41          1HG       GLN  41   8.036  -0.639   1.985
  330   1HE2  GLN  41          1HE2      GLN  41   6.995  -1.815   3.484
  331   2HE2  GLN  41          2HE2      GLN  41   5.277  -1.974   3.588
  332    H    ARG  42           H        ARG  42   7.971   0.623  -3.119
  333    HA   ARG  42           HA       ARG  42   6.924   3.353  -3.468
  334   1HB   ARG  42          2HB       ARG  42   8.946   3.331  -4.611
  335   2HB   ARG  42          1HB       ARG  42   8.758   1.660  -5.121
  336   1HG   ARG  42          2HG       ARG  42   7.053   2.318  -6.723
  337   2HG   ARG  42          1HG       ARG  42   7.184   3.996  -6.187
  338   1HD   ARG  42          2HD       ARG  42   9.790   3.281  -6.762
  339   2HD   ARG  42          1HD       ARG  42   8.857   2.493  -8.029
  340    HE   ARG  42           HE       ARG  42   9.015   5.377  -7.519
  341   1HH1  ARG  42          2HH1      ARG  42   7.911   2.740  -9.539
  342   2HH1  ARG  42          1HH1      ARG  42   7.551   3.766 -10.883
  343   1HH2  ARG  42          1HH2      ARG  42   8.532   6.713  -9.288
  344   2HH2  ARG  42          2HH2      ARG  42   7.899   6.017 -10.742
  345    H    LEU  43           H        LEU  43   4.784   3.276  -3.701
  346    HA   LEU  43           HA       LEU  43   3.580   1.051  -5.182
  347   1HB   LEU  43          2HB       LEU  43   2.047   3.173  -3.717
  348   2HB   LEU  43          1HB       LEU  43   1.550   1.539  -4.114
  349    HG   LEU  43           HG       LEU  43   3.548   2.353  -2.005
  350   1HD1  LEU  43          1HD1      LEU  43   1.878   1.200  -0.526
  351   2HD1  LEU  43          2HD1      LEU  43   0.778   1.183  -1.904
  352   3HD1  LEU  43          3HD1      LEU  43   1.333   2.718  -1.238
  353   1HD2  LEU  43          1HD2      LEU  43   3.695   0.067  -3.482
  354   2HD2  LEU  43          2HD2      LEU  43   2.684  -0.441  -2.129
  355   3HD2  LEU  43          3HD2      LEU  43   4.281   0.244  -1.828
  356    H    ILE  44           H        ILE  44   2.630   1.309  -7.116
  357    HA   ILE  44           HA       ILE  44   2.373   4.058  -8.154
  358    HB   ILE  44           HB       ILE  44   3.000   1.630  -9.830
  359   1HG1  ILE  44          2HG1      ILE  44   4.848   2.082  -8.262
  360   2HG1  ILE  44          1HG1      ILE  44   5.307   2.443  -9.923
  361   1HG2  ILE  44          1HG2      ILE  44   2.804   4.573 -10.354
  362   2HG2  ILE  44          2HG2      ILE  44   2.038   3.236 -11.212
  363   3HG2  ILE  44          3HG2      ILE  44   3.768   3.524 -11.393
  364   1HD1  ILE  44          1HD1      ILE  44   5.953   4.444  -9.257
  365   2HD1  ILE  44          2HD1      ILE  44   5.343   4.138  -7.630
  366   3HD1  ILE  44          3HD1      ILE  44   4.278   4.823  -8.857
  367    H    PHE  45           H        PHE  45   0.218   4.385  -7.892
  368    HA   PHE  45           HA       PHE  45  -1.616   2.399  -9.059
  369   1HB   PHE  45          2HB       PHE  45  -2.222   2.724  -6.799
  370   2HB   PHE  45          1HB       PHE  45  -1.985   4.465  -6.899
  371    HD1  PHE  45           HD1      PHE  45  -4.260   1.695  -7.536
  372    HD2  PHE  45           HD2      PHE  45  -3.654   5.895  -7.964
  373    HE1  PHE  45           HE1      PHE  45  -6.662   1.990  -8.006
  374    HE2  PHE  45           HE2      PHE  45  -6.055   6.197  -8.434
  375    HZ   PHE  45           HZ       PHE  45  -7.562   4.243  -8.455
  376    H    ALA  46           H        ALA  46  -2.479   2.890 -10.966
  377    HA   ALA  46           HA       ALA  46  -2.981   4.072 -12.857
  378   1HB   ALA  46          1HB       ALA  46  -5.005   4.635 -11.978
  379   2HB   ALA  46          2HB       ALA  46  -4.329   6.251 -12.180
  380   3HB   ALA  46          3HB       ALA  46  -4.299   5.474 -10.597
  381    H    GLY  47           H        GLY  47  -0.391   4.446 -12.479
  382   1HA   GLY  47          2HA       GLY  47   1.379   5.847 -12.902
  383   2HA   GLY  47          1HA       GLY  47   0.214   6.830 -13.775
  384    H    LYS  48           H        LYS  48  -0.221   6.219 -10.390
  385    HA   LYS  48           HA       LYS  48   0.762   8.921  -9.764
  386   1HB   LYS  48          2HB       LYS  48  -1.886   8.318  -9.888
  387   2HB   LYS  48          1HB       LYS  48  -1.547   7.964  -8.199
  388   1HG   LYS  48          2HG       LYS  48  -1.260  10.130  -7.664
  389   2HG   LYS  48          1HG       LYS  48  -0.483  10.518  -9.200
  390   1HD   LYS  48          2HD       LYS  48  -3.185   9.839  -9.738
  391   2HD   LYS  48          1HD       LYS  48  -3.173  10.986  -8.397
  392   1HE   LYS  48          2HE       LYS  48  -3.143  12.477 -10.108
  393   2HE   LYS  48          1HE       LYS  48  -1.407  12.196  -9.981
  394   1HZ   LYS  48          1HZ       LYS  48  -2.961  10.446 -11.739
  395   2HZ   LYS  48          2HZ       LYS  48  -1.367  10.988 -11.894
  396   3HZ   LYS  48          3HZ       LYS  48  -2.651  12.025 -12.266
  397    H    GLN  49           H        GLN  49   2.384   8.749  -8.377
  398    HA   GLN  49           HA       GLN  49   2.916   6.427  -6.849
  399   1HB   GLN  49          2HB       GLN  49   4.391   8.572  -7.638
  400   2HB   GLN  49          1HB       GLN  49   4.139   8.953  -5.940
  401   1HG   GLN  49          2HG       GLN  49   5.071   6.785  -5.313
  402   2HG   GLN  49          1HG       GLN  49   5.329   6.407  -7.016
  403   1HE2  GLN  49          1HE2      GLN  49   6.708   7.645  -4.259
  404   2HE2  GLN  49          2HE2      GLN  49   8.070   8.438  -4.967
  405    H    LEU  50           H        LEU  50   2.277   5.837  -4.872
  406    HA   LEU  50           HA       LEU  50   0.319   7.413  -3.488
  407   1HB   LEU  50          2HB       LEU  50   1.673   4.829  -2.710
  408   2HB   LEU  50          1HB       LEU  50   0.308   5.543  -1.871
  409    HG   LEU  50           HG       LEU  50   0.385   4.190  -4.538
  410   1HD1  LEU  50          1HD1      LEU  50  -0.238   3.107  -2.296
  411   2HD1  LEU  50          2HD1      LEU  50  -1.321   2.865  -3.667
  412   3HD1  LEU  50          3HD1      LEU  50  -1.728   4.043  -2.419
  413   1HD2  LEU  50          1HD2      LEU  50  -2.029   5.087  -4.746
  414   2HD2  LEU  50          2HD2      LEU  50  -0.687   6.118  -5.245
  415   3HD2  LEU  50          3HD2      LEU  50  -1.467   6.379  -3.686
  416    H    GLU  51           H        GLU  51   0.727   8.944  -2.040
  417    HA   GLU  51           HA       GLU  51   3.385   9.060  -0.810
  418   1HB   GLU  51          2HB       GLU  51   1.231  11.178  -0.831
  419   2HB   GLU  51          1HB       GLU  51   2.903  11.381  -0.326
  420   1HG   GLU  51          2HG       GLU  51   2.372  10.445  -3.093
  421   2HG   GLU  51          1HG       GLU  51   2.069  12.137  -2.703
  422    H    ASP  52           H        ASP  52   3.666   9.334   1.419
  423    HA   ASP  52           HA       ASP  52   1.801   7.914   3.038
  424   1HB   ASP  52          2HB       ASP  52   4.366   9.378   3.629
  425   2HB   ASP  52          1HB       ASP  52   3.401   8.638   4.904
  426    H    GLY  53           H        GLY  53   1.512  10.942   1.900
  427   1HA   GLY  53          2HA       GLY  53   0.366  11.991   4.405
  428   2HA   GLY  53          1HA       GLY  53   0.930  12.989   3.072
  429    H    ARG  54           H        ARG  54  -0.478  10.616   1.468
  430    HA   ARG  54           HA       ARG  54  -3.081  11.988   1.423
  431   1HB   ARG  54          2HB       ARG  54  -1.788  10.266  -0.700
  432   2HB   ARG  54          1HB       ARG  54  -3.329  11.099  -0.852
  433   1HG   ARG  54          2HG       ARG  54  -0.571  12.259  -0.752
  434   2HG   ARG  54          1HG       ARG  54  -1.818  12.461  -1.984
  435   1HD   ARG  54          2HD       ARG  54  -3.190  13.682  -0.301
  436   2HD   ARG  54          1HD       ARG  54  -1.824  13.590   0.810
  437    HE   ARG  54           HE       ARG  54  -0.795  14.725  -1.451
  438   1HH1  ARG  54          2HH1      ARG  54  -3.426  15.465   0.707
  439   2HH1  ARG  54          1HH1      ARG  54  -3.330  17.174   0.447
  440   1HH2  ARG  54          1HH2      ARG  54  -0.660  16.974  -1.801
  441   2HH2  ARG  54          2HH2      ARG  54  -1.757  18.033  -0.980
  442    H    THR  55           H        THR  55  -4.952  10.569   0.780
  443    HA   THR  55           HA       THR  55  -4.756   7.975   2.167
  444    HB   THR  55           HB       THR  55  -6.932   8.213   3.011
  445    HG1  THR  55           HG1      THR  55  -8.390   9.108   1.779
  446   1HG2  THR  55          1HG2      THR  55  -6.618  11.044   3.368
  447   2HG2  THR  55          2HG2      THR  55  -5.046  10.251   3.478
  448   3HG2  THR  55          3HG2      THR  55  -6.366   9.742   4.531
  449    H    LEU  56           H        LEU  56  -6.557   6.434   1.470
  450    HA   LEU  56           HA       LEU  56  -6.258   5.844  -1.255
  451   1HB   LEU  56          2HB       LEU  56  -8.407   4.886   0.640
  452   2HB   LEU  56          1HB       LEU  56  -7.992   4.145  -0.895
  453    HG   LEU  56           HG       LEU  56  -6.582   4.014   1.715
  454   1HD1  LEU  56          1HD1      LEU  56  -7.011   1.854   1.452
  455   2HD1  LEU  56          2HD1      LEU  56  -6.188   1.831  -0.107
  456   3HD1  LEU  56          3HD1      LEU  56  -7.899   2.252  -0.019
  457   1HD2  LEU  56          1HD2      LEU  56  -4.472   3.410   0.631
  458   2HD2  LEU  56          2HD2      LEU  56  -4.911   5.088   0.313
  459   3HD2  LEU  56          3HD2      LEU  56  -5.148   3.863  -0.933
  460    H    SER  57           H        SER  57  -8.941   7.327   0.522
  461    HA   SER  57           HA       SER  57 -10.753   7.535  -1.593
  462   1HB   SER  57          2HB       SER  57 -11.984   9.004  -0.231
  463   2HB   SER  57          1HB       SER  57 -11.098   8.011   0.927
  464    HG   SER  57           HG       SER  57 -10.959  10.236   1.428
  465    H    ASP  58           H        ASP  58  -8.000   9.510  -0.719
  466    HA   ASP  58           HA       ASP  58  -8.568  11.768  -2.291
  467   1HB   ASP  58          2HB       ASP  58  -5.969  10.577  -1.325
  468   2HB   ASP  58          1HB       ASP  58  -6.039  12.081  -2.239
  469    H    TYR  59           H        TYR  59  -7.310   8.625  -3.087
  470    HA   TYR  59           HA       TYR  59  -6.661   9.496  -5.809
  471   1HB   TYR  59          2HB       TYR  59  -6.139   6.853  -4.431
  472   2HB   TYR  59          1HB       TYR  59  -5.612   7.280  -6.055
  473    HD1  TYR  59           HD1      TYR  59  -4.099   9.410  -6.236
  474    HD2  TYR  59           HD2      TYR  59  -4.713   7.211  -2.635
  475    HE1  TYR  59           HE1      TYR  59  -2.016  10.348  -5.315
  476    HE2  TYR  59           HE2      TYR  59  -2.633   8.144  -1.704
  477    HH   TYR  59           HH       TYR  59  -1.094  10.782  -2.914
  478    H    ASN  60           H        ASN  60  -9.361   8.674  -4.310
  479    HA   ASN  60           HA       ASN  60 -11.372   7.822  -4.945
  480   1HB   ASN  60          2HB       ASN  60 -10.027   8.507  -7.480
  481   2HB   ASN  60          1HB       ASN  60 -11.344   7.345  -7.627
  482   1HD2  ASN  60          1HD2      ASN  60 -12.961   8.481  -8.454
  483   2HD2  ASN  60          2HD2      ASN  60 -13.596   9.945  -7.792
  484    H    ILE  61           H        ILE  61  -9.769   5.980  -3.837
  485    HA   ILE  61           HA       ILE  61  -9.594   3.647  -5.557
  486    HB   ILE  61           HB       ILE  61  -8.880   4.081  -2.659
  487   1HG1  ILE  61          2HG1      ILE  61  -7.034   3.306  -4.903
  488   2HG1  ILE  61          1HG1      ILE  61  -7.469   4.992  -4.638
  489   1HG2  ILE  61          1HG2      ILE  61  -8.923   1.890  -2.320
  490   2HG2  ILE  61          2HG2      ILE  61  -7.780   1.664  -3.644
  491   3HG2  ILE  61          3HG2      ILE  61  -9.514   1.636  -3.961
  492   1HD1  ILE  61          1HD1      ILE  61  -5.412   3.576  -3.431
  493   2HD1  ILE  61          2HD1      ILE  61  -6.643   3.747  -2.180
  494   3HD1  ILE  61          3HD1      ILE  61  -6.006   5.177  -2.991
  495    H    GLN  62           H        GLN  62 -10.966   1.957  -5.578
  496    HA   GLN  62           HA       GLN  62 -13.353   2.152  -3.886
  497   1HB   GLN  62          2HB       GLN  62 -12.799   0.834  -6.530
  498   2HB   GLN  62          1HB       GLN  62 -14.197   0.374  -5.567
  499   1HG   GLN  62          2HG       GLN  62 -14.545   2.118  -7.379
  500   2HG   GLN  62          1HG       GLN  62 -15.182   2.478  -5.776
  501   1HE2  GLN  62          1HE2      GLN  62 -12.348   2.992  -7.827
  502   2HE2  GLN  62          2HE2      GLN  62 -11.979   4.569  -7.224
  503    H    LYS  63           H        LYS  63 -14.350  -0.227  -3.605
  504    HA   LYS  63           HA       LYS  63 -12.559  -1.547  -1.822
  505   1HB   LYS  63          2HB       LYS  63 -14.402  -3.014  -1.332
  506   2HB   LYS  63          1HB       LYS  63 -15.010  -1.369  -1.447
  507   1HG   LYS  63          2HG       LYS  63 -15.684  -1.897  -3.810
  508   2HG   LYS  63          1HG       LYS  63 -15.290  -3.582  -3.461
  509   1HD   LYS  63          2HD       LYS  63 -16.979  -2.404  -1.416
  510   2HD   LYS  63          1HD       LYS  63 -17.721  -2.332  -3.015
  511   1HE   LYS  63          2HE       LYS  63 -16.575  -4.818  -1.749
  512   2HE   LYS  63          1HE       LYS  63 -18.286  -4.395  -1.771
  513   1HZ   LYS  63          1HZ       LYS  63 -16.654  -4.727  -4.225
  514   2HZ   LYS  63          2HZ       LYS  63 -18.336  -4.577  -4.122
  515   3HZ   LYS  63          3HZ       LYS  63 -17.576  -5.972  -3.541
  516    H    GLU  64           H        GLU  64 -12.633  -1.640  -5.091
  517    HA   GLU  64           HA       GLU  64 -11.595  -4.389  -5.128
  518   1HB   GLU  64          2HB       GLU  64 -13.600  -3.111  -6.945
  519   2HB   GLU  64          1HB       GLU  64 -12.516  -4.338  -7.586
  520   1HG   GLU  64          2HG       GLU  64 -13.353  -5.660  -5.451
  521   2HG   GLU  64          1HG       GLU  64 -14.741  -4.591  -5.648
  522    H    SER  65           H        SER  65 -10.476  -1.539  -5.076
  523    HA   SER  65           HA       SER  65  -9.137  -1.243  -7.600
  524   1HB   SER  65          2HB       SER  65  -8.724   0.132  -4.935
  525   2HB   SER  65          1HB       SER  65  -7.887   0.575  -6.423
  526    HG   SER  65           HG       SER  65  -9.830   1.174  -7.321
  527    H    THR  66           H        THR  66  -6.916  -1.505  -8.011
  528    HA   THR  66           HA       THR  66  -5.515  -3.264  -6.103
  529    HB   THR  66           HB       THR  66  -5.521  -3.387  -9.120
  530    HG1  THR  66           HG1      THR  66  -7.186  -4.582  -8.292
  531   1HG2  THR  66          1HG2      THR  66  -3.892  -5.217  -8.893
  532   2HG2  THR  66          2HG2      THR  66  -3.778  -4.889  -7.164
  533   3HG2  THR  66          3HG2      THR  66  -3.235  -3.681  -8.328
  534    H    ILE  67           H        ILE  67  -3.341  -2.933  -5.773
  535    HA   ILE  67           HA       ILE  67  -2.170  -0.554  -7.061
  536    HB   ILE  67           HB       ILE  67  -1.728  -1.409  -4.199
  537   1HG1  ILE  67          2HG1      ILE  67  -2.887   1.177  -4.392
  538   2HG1  ILE  67          1HG1      ILE  67  -3.858   0.094  -5.384
  539   1HG2  ILE  67          1HG2      ILE  67   0.161  -0.240  -4.511
  540   2HG2  ILE  67          2HG2      ILE  67  -0.894   1.169  -4.395
  541   3HG2  ILE  67          3HG2      ILE  67  -0.441   0.534  -5.976
  542   1HD1  ILE  67          1HD1      ILE  67  -3.640   0.290  -2.497
  543   2HD1  ILE  67          2HD1      ILE  67  -3.479  -1.361  -3.095
  544   3HD1  ILE  67          3HD1      ILE  67  -4.911  -0.413  -3.497
  545    H    HIS  68           H        HIS  68   0.059  -0.584  -7.452
  546    HA   HIS  68           HA       HIS  68   1.212  -3.281  -7.529
  547   1HB   HIS  68          2HB       HIS  68   1.643  -0.792  -9.146
  548   2HB   HIS  68          1HB       HIS  68   2.902  -2.022  -9.081
  549    HD1  HIS  68           HD1      HIS  68   2.648  -3.972 -10.622
  550    HD2  HIS  68           HD2      HIS  68  -0.870  -1.793 -10.234
  551    HE1  HIS  68           HE1      HIS  68   1.061  -4.950 -12.310
  552    HE2  HIS  68           HE2      HIS  68  -1.053  -3.600 -12.076
  553    H    LEU  69           H        LEU  69   3.009  -3.807  -6.427
  554    HA   LEU  69           HA       LEU  69   4.188  -1.728  -4.720
  555   1HB   LEU  69          2HB       LEU  69   3.385  -3.483  -3.386
  556   2HB   LEU  69          1HB       LEU  69   3.981  -4.712  -4.487
  557    HG   LEU  69           HG       LEU  69   6.296  -4.164  -3.829
  558   1HD1  LEU  69          1HD1      LEU  69   5.586  -2.704  -1.425
  559   2HD1  LEU  69          2HD1      LEU  69   5.196  -1.809  -2.894
  560   3HD1  LEU  69          3HD1      LEU  69   6.843  -2.378  -2.619
  561   1HD2  LEU  69          1HD2      LEU  69   4.905  -5.912  -2.678
  562   2HD2  LEU  69          2HD2      LEU  69   4.595  -4.727  -1.410
  563   3HD2  LEU  69          3HD2      LEU  69   6.243  -5.269  -1.727
  564    H    VAL  70           H        VAL  70   6.210  -1.059  -5.028
  565    HA   VAL  70           HA       VAL  70   8.028  -2.732  -6.627
  566    HB   VAL  70           HB       VAL  70   8.247   0.219  -6.912
  567   1HG1  VAL  70          1HG1      VAL  70   9.448  -2.014  -8.042
  568   2HG1  VAL  70          2HG1      VAL  70   9.596  -0.344  -8.591
  569   3HG1  VAL  70          3HG1      VAL  70   8.378  -1.403  -9.303
  570   1HG2  VAL  70          1HG2      VAL  70   6.624   0.174  -8.798
  571   2HG2  VAL  70          2HG2      VAL  70   5.881  -0.032  -7.212
  572   3HG2  VAL  70          3HG2      VAL  70   6.116  -1.428  -8.265
  573    H    LEU  71           H        LEU  71  10.331  -2.073  -6.384
  574    HA   LEU  71           HA       LEU  71  10.883  -1.562  -3.577
  575   1HB   LEU  71          2HB       LEU  71  12.143  -3.017  -5.704
  576   2HB   LEU  71          1HB       LEU  71  13.289  -1.874  -5.028
  577    HG   LEU  71           HG       LEU  71  13.090  -2.838  -2.846
  578   1HD1  LEU  71          1HD1      LEU  71  10.546  -3.665  -3.777
  579   2HD1  LEU  71          2HD1      LEU  71  11.213  -3.786  -2.149
  580   3HD1  LEU  71          3HD1      LEU  71  11.442  -5.106  -3.296
  581   1HD2  LEU  71          1HD2      LEU  71  13.229  -5.434  -3.965
  582   2HD2  LEU  71          2HD2      LEU  71  14.552  -4.377  -3.472
  583   3HD2  LEU  71          3HD2      LEU  71  13.938  -4.309  -5.123
  584    H    ARG  72           H        ARG  72  11.493  -0.101  -6.725
  585    HA   ARG  72           HA       ARG  72  11.794   2.140  -7.197
  586   1HB   ARG  72          2HB       ARG  72  10.846   2.537  -4.842
  587   2HB   ARG  72          1HB       ARG  72  12.521   2.645  -4.322
  588   1HG   ARG  72          2HG       ARG  72  12.905   4.530  -5.758
  589   2HG   ARG  72          1HG       ARG  72  11.295   4.369  -6.463
  590   1HD   ARG  72          2HD       ARG  72  10.239   5.081  -4.504
  591   2HD   ARG  72          1HD       ARG  72  11.667   4.778  -3.517
  592    HE   ARG  72           HE       ARG  72  11.054   7.163  -4.966
  593   1HH1  ARG  72          2HH1      ARG  72  13.658   5.173  -3.789
  594   2HH1  ARG  72          1HH1      ARG  72  14.795   6.478  -3.715
  595   1HH2  ARG  72          1HH2      ARG  72  12.543   8.888  -4.876
  596   2HH2  ARG  72          2HH2      ARG  72  14.161   8.591  -4.334
  597    H    LEU  73           H        LEU  73  13.898  -0.116  -6.122
  598    HA   LEU  73           HA       LEU  73  16.125  -0.451  -6.465
  599   1HB   LEU  73          2HB       LEU  73  16.095   2.263  -7.785
  600   2HB   LEU  73          1HB       LEU  73  17.358   1.056  -7.922
  601    HG   LEU  73           HG       LEU  73  14.974  -0.206  -8.743
  602   1HD1  LEU  73          1HD1      LEU  73  15.252   2.601  -9.768
  603   2HD1  LEU  73          2HD1      LEU  73  13.820   1.799  -9.120
  604   3HD1  LEU  73          3HD1      LEU  73  14.452   1.337 -10.700
  605   1HD2  LEU  73          1HD2      LEU  73  17.484  -0.295  -9.492
  606   2HD2  LEU  73          2HD2      LEU  73  16.947   0.884 -10.688
  607   3HD2  LEU  73          3HD2      LEU  73  16.191  -0.709 -10.618
  608    H    ARG  74           H        ARG  74  18.294   0.396  -5.805
  609    HA   ARG  74           HA       ARG  74  19.549   1.033  -3.992
  610   1HB   ARG  74          2HB       ARG  74  18.874   3.190  -5.578
  611   2HB   ARG  74          1HB       ARG  74  18.489   3.758  -3.960
  612   1HG   ARG  74          2HG       ARG  74  20.739   3.312  -3.219
  613   2HG   ARG  74          1HG       ARG  74  21.143   2.600  -4.784
  614   1HD   ARG  74          2HD       ARG  74  22.007   4.806  -4.803
  615   2HD   ARG  74          1HD       ARG  74  20.565   4.822  -5.818
  616    HE   ARG  74           HE       ARG  74  19.664   5.561  -3.353
  617   1HH1  ARG  74          2HH1      ARG  74  22.139   6.718  -5.511
  618   2HH1  ARG  74          1HH1      ARG  74  22.015   8.362  -4.980
  619   1HH2  ARG  74          1HH2      ARG  74  19.492   7.722  -2.647
  620   2HH2  ARG  74          2HH2      ARG  74  20.510   8.933  -3.351
  621    H    GLY  75           H        GLY  75  18.693  -0.076  -2.255
  622   1HA   GLY  75          2HA       GLY  75  16.322   0.562  -0.901
  623   2HA   GLY  75          1HA       GLY  75  17.665  -0.345  -0.220
  624    H    GLY  76           HN       GLY  76  19.495   0.939   0.636
  625   1HA   GLY  76          2HA       GLY  76  18.584   3.566   1.633
  626   2HA   GLY  76          1HA       GLY  76  19.355   2.392   2.690
  Start of MODEL    6
    1   2H    MET   1          2H        MET   1 -12.085  -2.651   3.728
    2   3H    MET   1          3H        MET   1 -12.909  -3.995   3.114
    3   1H    MET   1          1H        MET   1 -13.641  -2.470   3.090
    4    HA   MET   1           HA       MET   1 -12.955  -2.777   0.915
    5   1HB   MET   1          2HB       MET   1 -12.211  -0.624   2.070
    6   2HB   MET   1          1HB       MET   1 -10.606  -1.338   2.141
    7   1HG   MET   1          2HG       MET   1 -11.020  -1.680  -0.436
    8   2HG   MET   1          1HG       MET   1 -12.137  -0.338  -0.193
    9   1HE   MET   1          1HE       MET   1  -9.942   2.437  -0.979
   10   2HE   MET   1          2HE       MET   1 -11.201   2.301   0.248
   11   3HE   MET   1          3HE       MET   1 -11.390   1.483  -1.302
   12    H    GLN   2           H        GLN   2 -12.325  -4.599  -0.046
   13    HA   GLN   2           HA       GLN   2  -9.783  -5.828   0.730
   14   1HB   GLN   2          2HB       GLN   2 -12.306  -6.870   0.021
   15   2HB   GLN   2          1HB       GLN   2 -11.211  -7.307  -1.283
   16   1HG   GLN   2          2HG       GLN   2 -11.339  -9.033   0.446
   17   2HG   GLN   2          1HG       GLN   2  -9.713  -8.373   0.281
   18   1HE2  GLN   2          1HE2      GLN   2 -12.585  -8.452   2.264
   19   2HE2  GLN   2          2HE2      GLN   2 -11.839  -7.879   3.712
   20    H    VAL   3           H        VAL   3  -8.203  -4.731  -0.297
   21    HA   VAL   3           HA       VAL   3  -8.436  -4.266  -3.182
   22    HB   VAL   3           HB       VAL   3  -6.518  -2.799  -2.975
   23   1HG1  VAL   3          1HG1      VAL   3  -8.857  -2.433  -1.186
   24   2HG1  VAL   3          2HG1      VAL   3  -8.339  -1.489  -2.582
   25   3HG1  VAL   3          3HG1      VAL   3  -7.519  -1.294  -1.032
   26   1HG2  VAL   3          1HG2      VAL   3  -5.608  -2.331  -0.664
   27   2HG2  VAL   3          2HG2      VAL   3  -5.167  -3.889  -1.364
   28   3HG2  VAL   3          3HG2      VAL   3  -6.433  -3.798  -0.138
   29    H    PHE   4           H        PHE   4  -6.538  -4.716  -4.541
   30    HA   PHE   4           HA       PHE   4  -5.160  -7.162  -3.649
   31   1HB   PHE   4          2HB       PHE   4  -5.681  -6.338  -6.508
   32   2HB   PHE   4          1HB       PHE   4  -5.110  -7.900  -5.930
   33    HD1  PHE   4           HD1      PHE   4  -8.025  -5.619  -5.969
   34    HD2  PHE   4           HD2      PHE   4  -6.620  -9.589  -5.300
   35    HE1  PHE   4           HE1      PHE   4 -10.354  -6.422  -5.864
   36    HE2  PHE   4           HE2      PHE   4  -8.945 -10.400  -5.196
   37    HZ   PHE   4           HZ       PHE   4 -10.816  -8.815  -5.478
   38    H    LEU   5           H        LEU   5  -2.969  -7.315  -3.841
   39    HA   LEU   5           HA       LEU   5  -1.568  -4.929  -4.857
   40   1HB   LEU   5          2HB       LEU   5  -1.574  -5.555  -2.303
   41   2HB   LEU   5          1HB       LEU   5  -0.357  -6.718  -2.793
   42    HG   LEU   5           HG       LEU   5   0.600  -4.446  -3.952
   43   1HD1  LEU   5          1HD1      LEU   5   0.287  -2.571  -2.640
   44   2HD1  LEU   5          2HD1      LEU   5  -0.290  -3.506  -1.260
   45   3HD1  LEU   5          3HD1      LEU   5  -1.327  -3.282  -2.668
   46   1HD2  LEU   5          1HD2      LEU   5   1.430  -4.752  -1.165
   47   2HD2  LEU   5          2HD2      LEU   5   2.368  -4.891  -2.652
   48   3HD2  LEU   5          3HD2      LEU   5   1.415  -6.260  -2.080
   49    H    LYS   6           H        LYS   6   0.005  -5.222  -6.328
   50    HA   LYS   6           HA       LYS   6   0.618  -7.988  -7.107
   51   1HB   LYS   6          2HB       LYS   6   1.288  -5.639  -8.830
   52   2HB   LYS   6          1HB       LYS   6   0.875  -7.283  -9.298
   53   1HG   LYS   6          2HG       LYS   6  -1.466  -6.790  -8.487
   54   2HG   LYS   6          1HG       LYS   6  -0.972  -5.099  -8.384
   55   1HD   LYS   6          2HD       LYS   6  -2.080  -5.531 -10.503
   56   2HD   LYS   6          1HD       LYS   6  -0.380  -5.137 -10.765
   57   1HE   LYS   6          2HE       LYS   6  -1.228  -7.050 -12.134
   58   2HE   LYS   6          1HE       LYS   6   0.172  -7.428 -11.131
   59   1HZ   LYS   6          1HZ       LYS   6  -2.656  -8.101 -10.523
   60   2HZ   LYS   6          2HZ       LYS   6  -1.348  -8.407  -9.496
   61   3HZ   LYS   6          3HZ       LYS   6  -1.446  -9.186 -10.994
   62    H    THR   7           H        THR   7   2.665  -8.748  -7.087
   63    HA   THR   7           HA       THR   7   4.733  -6.950  -6.031
   64    HB   THR   7           HB       THR   7   5.931  -8.915  -5.307
   65    HG1  THR   7           HG1      THR   7   5.547 -10.829  -6.142
   66   1HG2  THR   7          1HG2      THR   7   2.987  -9.049  -4.655
   67   2HG2  THR   7          2HG2      THR   7   4.239  -8.178  -3.769
   68   3HG2  THR   7          3HG2      THR   7   4.236  -9.941  -3.787
   69    H    LEU   8           H        LEU   8   7.029  -8.122  -6.724
   70    HA   LEU   8           HA       LEU   8   7.248  -7.471  -9.518
   71   1HB   LEU   8          2HB       LEU   8   9.297  -8.456  -7.532
   72   2HB   LEU   8          1HB       LEU   8   9.665  -7.951  -9.171
   73    HG   LEU   8           HG       LEU   8   8.663  -6.234  -6.907
   74   1HD1  LEU   8          1HD1      LEU   8  11.227  -6.923  -7.761
   75   2HD1  LEU   8          2HD1      LEU   8  10.781  -5.622  -6.656
   76   3HD1  LEU   8          3HD1      LEU   8  10.951  -5.294  -8.380
   77   1HD2  LEU   8          1HD2      LEU   8   8.715  -5.740  -9.854
   78   2HD2  LEU   8          2HD2      LEU   8   8.982  -4.409  -8.729
   79   3HD2  LEU   8          3HD2      LEU   8   7.476  -5.326  -8.668
   80    H    THR   9           H        THR   9   6.460 -10.253  -7.850
   81    HA   THR   9           HA       THR   9   7.613 -12.038  -9.872
   82    HB   THR   9           HB       THR   9   7.213 -13.855  -8.413
   83    HG1  THR   9           HG1      THR   9   5.208 -12.262  -7.489
   84   1HG2  THR   9          1HG2      THR   9   8.005 -11.493  -6.704
   85   2HG2  THR   9          2HG2      THR   9   9.088 -12.451  -7.713
   86   3HG2  THR   9          3HG2      THR   9   8.301 -13.188  -6.318
   87    H    GLY  10           H        GLY  10   4.602 -10.745  -8.701
   88   1HA   GLY  10          2HA       GLY  10   2.758 -10.619 -10.283
   89   2HA   GLY  10          1HA       GLY  10   3.210 -12.221 -10.845
   90    H    LYS  11           H        LYS  11   3.020 -11.243  -7.472
   91    HA   LYS  11           HA       LYS  11   0.918 -13.254  -7.089
   92   1HB   LYS  11          2HB       LYS  11   3.080 -13.421  -5.801
   93   2HB   LYS  11          1HB       LYS  11   2.619 -11.944  -4.966
   94   1HG   LYS  11          2HG       LYS  11   1.235 -13.027  -3.599
   95   2HG   LYS  11          1HG       LYS  11   0.523 -13.957  -4.919
   96   1HD   LYS  11          2HD       LYS  11   1.607 -15.748  -4.173
   97   2HD   LYS  11          1HD       LYS  11   3.126 -14.951  -4.589
   98   1HE   LYS  11          2HE       LYS  11   3.283 -13.987  -2.392
   99   2HE   LYS  11          1HE       LYS  11   1.683 -14.591  -1.968
  100   1HZ   LYS  11          1HZ       LYS  11   2.551 -16.523  -1.364
  101   2HZ   LYS  11          2HZ       LYS  11   4.093 -15.861  -1.570
  102   3HZ   LYS  11          3HZ       LYS  11   3.361 -16.707  -2.839
  103    H    THR  12           H        THR  12  -1.057 -12.737  -6.353
  104    HA   THR  12           HA       THR  12  -1.614  -9.892  -5.885
  105    HB   THR  12           HB       THR  12  -3.687 -12.023  -6.381
  106    HG1  THR  12           HG1      THR  12  -2.201 -11.971  -8.149
  107   1HG2  THR  12          1HG2      THR  12  -4.026  -9.254  -7.329
  108   2HG2  THR  12          2HG2      THR  12  -3.983  -9.453  -5.578
  109   3HG2  THR  12          3HG2      THR  12  -5.176 -10.330  -6.535
  110    H    VAL  13           H        VAL  13  -1.996  -9.227  -3.882
  111    HA   VAL  13           HA       VAL  13  -2.854 -11.215  -1.882
  112    HB   VAL  13           HB       VAL  13  -1.708 -10.003  -0.188
  113   1HG1  VAL  13          1HG1      VAL  13   0.205  -9.902  -2.501
  114   2HG1  VAL  13          2HG1      VAL  13  -0.369 -11.428  -1.827
  115   3HG1  VAL  13          3HG1      VAL  13   0.533 -10.301  -0.814
  116   1HG2  VAL  13          1HG2      VAL  13  -1.801  -7.824  -2.156
  117   2HG2  VAL  13          2HG2      VAL  13  -0.305  -7.929  -1.227
  118   3HG2  VAL  13          3HG2      VAL  13  -1.853  -7.768  -0.394
  119    H    THR  14           H        THR  14  -4.652 -10.840  -0.712
  120    HA   THR  14           HA       THR  14  -6.149  -8.385  -1.310
  121    HB   THR  14           HB       THR  14  -7.732 -10.280   0.135
  122    HG1  THR  14           HG1      THR  14  -6.885 -12.075  -0.616
  123   1HG2  THR  14          1HG2      THR  14  -8.741  -8.680  -1.307
  124   2HG2  THR  14          2HG2      THR  14  -9.021 -10.259  -2.041
  125   3HG2  THR  14          3HG2      THR  14  -7.763  -9.201  -2.679
  126    H    ILE  15           H        ILE  15  -5.814  -6.855   0.173
  127    HA   ILE  15           HA       ILE  15  -5.715  -7.651   3.010
  128    HB   ILE  15           HB       ILE  15  -4.720  -5.030   1.914
  129   1HG1  ILE  15          2HG1      ILE  15  -2.708  -7.049   2.640
  130   2HG1  ILE  15          1HG1      ILE  15  -3.635  -7.442   1.195
  131   1HG2  ILE  15          1HG2      ILE  15  -3.242  -5.625   4.112
  132   2HG2  ILE  15          2HG2      ILE  15  -4.792  -6.358   4.528
  133   3HG2  ILE  15          3HG2      ILE  15  -4.707  -4.643   4.125
  134   1HD1  ILE  15          1HD1      ILE  15  -2.599  -4.693   1.346
  135   2HD1  ILE  15          2HD1      ILE  15  -2.687  -5.807  -0.019
  136   3HD1  ILE  15          3HD1      ILE  15  -1.399  -5.973   1.176
  137    H    GLU  16           H        GLU  16  -6.825  -6.371   4.549
  138    HA   GLU  16           HA       GLU  16  -9.176  -5.025   3.431
  139   1HB   GLU  16          2HB       GLU  16 -10.146  -5.306   5.692
  140   2HB   GLU  16          1HB       GLU  16  -9.682  -6.833   4.957
  141   1HG   GLU  16          2HG       GLU  16  -7.521  -6.638   6.273
  142   2HG   GLU  16          1HG       GLU  16  -8.311  -5.339   7.167
  143    H    VAL  17           H        VAL  17  -9.393  -2.892   3.542
  144    HA   VAL  17           HA       VAL  17  -8.000  -1.399   5.639
  145    HB   VAL  17           HB       VAL  17  -6.994   0.162   4.186
  146   1HG1  VAL  17          1HG1      VAL  17  -5.300  -1.138   3.512
  147   2HG1  VAL  17          2HG1      VAL  17  -6.333  -2.089   2.443
  148   3HG1  VAL  17          3HG1      VAL  17  -6.253  -2.472   4.163
  149   1HG2  VAL  17          1HG2      VAL  17  -8.557   0.650   2.545
  150   2HG2  VAL  17          2HG2      VAL  17  -8.759  -1.043   2.091
  151   3HG2  VAL  17          3HG2      VAL  17  -7.292  -0.177   1.634
  152    H    GLU  18           H        GLU  18  -8.709   0.959   5.613
  153    HA   GLU  18           HA       GLU  18 -11.578   1.079   4.954
  154   1HB   GLU  18          2HB       GLU  18 -10.006   2.019   7.299
  155   2HB   GLU  18          1HB       GLU  18 -11.363   3.011   6.786
  156   1HG   GLU  18          2HG       GLU  18 -12.174   0.274   6.868
  157   2HG   GLU  18          1HG       GLU  18 -11.402   0.707   8.393
  158    HA   PRO  19           HA       PRO  19 -10.962   4.302   2.020
  159   1HB   PRO  19          2HB       PRO  19 -13.206   5.630   3.477
  160   2HB   PRO  19          1HB       PRO  19 -13.006   5.339   1.745
  161   1HG   PRO  19          2HG       PRO  19 -14.649   3.824   3.191
  162   2HG   PRO  19          1HG       PRO  19 -13.648   3.114   1.913
  163   1HD   PRO  19          2HD       PRO  19 -13.325   2.976   4.871
  164   2HD   PRO  19          1HD       PRO  19 -12.920   1.771   3.632
  165    H    SER  20           H        SER  20 -11.485   5.201   5.403
  166    HA   SER  20           HA       SER  20 -10.197   7.760   5.090
  167   1HB   SER  20          2HB       SER  20 -10.578   8.012   7.498
  168   2HB   SER  20          1HB       SER  20 -12.045   7.461   6.689
  169    HG   SER  20           HG       SER  20 -10.579   6.246   8.625
  170    H    ASP  21           H        ASP  21  -8.726   5.087   4.685
  171    HA   ASP  21           HA       ASP  21  -6.682   5.218   6.738
  172   1HB   ASP  21          2HB       ASP  21  -7.223   3.399   4.409
  173   2HB   ASP  21          1HB       ASP  21  -5.645   3.391   5.192
  174    H    THR  22           H        THR  22  -4.537   5.796   6.399
  175    HA   THR  22           HA       THR  22  -4.120   7.594   4.131
  176    HB   THR  22           HB       THR  22  -2.200   8.455   5.353
  177    HG1  THR  22           HG1      THR  22  -1.466   6.617   6.415
  178   1HG2  THR  22          1HG2      THR  22  -3.580   8.886   7.629
  179   2HG2  THR  22          2HG2      THR  22  -4.881   8.319   6.583
  180   3HG2  THR  22          3HG2      THR  22  -3.919   9.720   6.113
  181    H    VAL  23           H        VAL  23  -2.073   7.586   2.991
  182    HA   VAL  23           HA       VAL  23  -1.416   5.193   1.816
  183    HB   VAL  23           HB       VAL  23   0.287   7.659   2.167
  184   1HG1  VAL  23          1HG1      VAL  23   2.031   6.524   1.393
  185   2HG1  VAL  23          2HG1      VAL  23   1.132   6.222  -0.094
  186   3HG1  VAL  23          3HG1      VAL  23   1.059   5.062   1.232
  187   1HG2  VAL  23          1HG2      VAL  23  -0.325   7.625  -0.419
  188   2HG2  VAL  23          2HG2      VAL  23  -1.386   8.351   0.788
  189   3HG2  VAL  23          3HG2      VAL  23  -1.715   6.726   0.187
  190    H    GLU  24           H        GLU  24   0.177   6.760   4.573
  191    HA   GLU  24           HA       GLU  24   2.304   5.030   4.928
  192   1HB   GLU  24          2HB       GLU  24   2.027   7.094   6.218
  193   2HB   GLU  24          1HB       GLU  24   0.651   6.396   7.062
  194   1HG   GLU  24          2HG       GLU  24   3.282   5.003   7.167
  195   2HG   GLU  24          1HG       GLU  24   3.018   6.435   8.160
  196    H    ASN  25           H        ASN  25  -0.981   4.772   6.261
  197    HA   ASN  25           HA       ASN  25  -0.652   2.432   7.722
  198   1HB   ASN  25          2HB       ASN  25  -2.771   4.110   7.088
  199   2HB   ASN  25          1HB       ASN  25  -3.241   2.564   6.388
  200   1HD2  ASN  25          1HD2      ASN  25  -4.379   4.001   8.641
  201   2HD2  ASN  25          2HD2      ASN  25  -4.283   2.930   9.994
  202    H    PHE  26           H        PHE  26  -1.625   2.844   4.331
  203    HA   PHE  26           HA       PHE  26  -2.076   0.195   3.666
  204   1HB   PHE  26          2HB       PHE  26  -2.479   2.210   2.208
  205   2HB   PHE  26          1HB       PHE  26  -0.755   2.225   1.856
  206    HD1  PHE  26           HD1      PHE  26  -1.949  -1.079   2.295
  207    HD2  PHE  26           HD2      PHE  26  -1.732   2.102  -0.536
  208    HE1  PHE  26           HE1      PHE  26  -2.312  -2.690   0.464
  209    HE2  PHE  26           HE2      PHE  26  -2.096   0.499  -2.372
  210    HZ   PHE  26           HZ       PHE  26  -2.387  -1.900  -1.873
  211    H    LYS  27           H        LYS  27   0.982   2.004   3.563
  212    HA   LYS  27           HA       LYS  27   2.584  -0.076   2.574
  213   1HB   LYS  27          2HB       LYS  27   3.445   2.134   4.448
  214   2HB   LYS  27          1HB       LYS  27   4.477   1.215   3.362
  215   1HG   LYS  27          2HG       LYS  27   3.411   2.200   1.440
  216   2HG   LYS  27          1HG       LYS  27   2.250   3.035   2.473
  217   1HD   LYS  27          2HD       LYS  27   3.656   4.737   2.729
  218   2HD   LYS  27          1HD       LYS  27   4.895   3.649   3.359
  219   1HE   LYS  27          2HE       LYS  27   5.621   3.144   1.086
  220   2HE   LYS  27          1HE       LYS  27   4.364   4.199   0.441
  221   1HZ   LYS  27          1HZ       LYS  27   6.698   5.142   0.644
  222   2HZ   LYS  27          2HZ       LYS  27   6.417   5.212   2.309
  223   3HZ   LYS  27          3HZ       LYS  27   5.433   6.088   1.249
  224    H    ALA  28           H        ALA  28   1.479   0.693   5.804
  225    HA   ALA  28           HA       ALA  28   3.243  -0.976   7.239
  226   1HB   ALA  28          1HB       ALA  28   0.436  -0.292   8.077
  227   2HB   ALA  28          2HB       ALA  28   1.772   0.856   8.170
  228   3HB   ALA  28          3HB       ALA  28   1.827  -0.640   9.104
  229    H    LYS  29           H        LYS  29   0.059  -1.543   5.808
  230    HA   LYS  29           HA       LYS  29  -0.279  -4.157   6.838
  231   1HB   LYS  29          2HB       LYS  29  -1.531  -2.614   4.591
  232   2HB   LYS  29          1HB       LYS  29  -1.896  -4.320   4.806
  233   1HG   LYS  29          2HG       LYS  29  -3.253  -3.925   6.527
  234   2HG   LYS  29          1HG       LYS  29  -2.123  -2.792   7.272
  235   1HD   LYS  29          2HD       LYS  29  -2.866  -1.034   5.756
  236   2HD   LYS  29          1HD       LYS  29  -3.974  -2.164   4.972
  237   1HE   LYS  29          2HE       LYS  29  -4.763  -0.512   6.896
  238   2HE   LYS  29          1HE       LYS  29  -5.457  -2.119   6.692
  239   1HZ   LYS  29          1HZ       LYS  29  -4.876  -1.690   8.996
  240   2HZ   LYS  29          2HZ       LYS  29  -3.263  -1.413   8.566
  241   3HZ   LYS  29          3HZ       LYS  29  -3.937  -2.952   8.373
  242    H    ILE  30           H        ILE  30   1.119  -2.900   3.853
  243    HA   ILE  30           HA       ILE  30   1.477  -5.400   2.576
  244    HB   ILE  30           HB       ILE  30   3.107  -2.888   2.181
  245   1HG1  ILE  30          2HG1      ILE  30   0.664  -3.771   0.639
  246   2HG1  ILE  30          1HG1      ILE  30   0.603  -2.612   1.964
  247   1HG2  ILE  30          1HG2      ILE  30   2.581  -5.171   0.285
  248   2HG2  ILE  30          2HG2      ILE  30   4.058  -4.968   1.227
  249   3HG2  ILE  30          3HG2      ILE  30   3.620  -3.774   0.004
  250   1HD1  ILE  30          1HD1      ILE  30   0.778  -1.850  -0.550
  251   2HD1  ILE  30          2HD1      ILE  30   2.500  -2.086  -0.251
  252   3HD1  ILE  30          3HD1      ILE  30   1.578  -0.962   0.748
  253    H    GLN  31           H        GLN  31   3.564  -3.441   4.658
  254    HA   GLN  31           HA       GLN  31   5.877  -5.029   4.430
  255   1HB   GLN  31          2HB       GLN  31   6.153  -2.859   5.323
  256   2HB   GLN  31          1HB       GLN  31   4.902  -3.109   6.533
  257   1HG   GLN  31          2HG       GLN  31   6.451  -4.911   7.485
  258   2HG   GLN  31          1HG       GLN  31   7.698  -4.176   6.481
  259   1HE2  GLN  31          1HE2      GLN  31   8.886  -3.562   8.292
  260   2HE2  GLN  31          2HE2      GLN  31   8.404  -2.245   9.300
  261    H    ASP  32           H        ASP  32   3.055  -5.237   6.504
  262    HA   ASP  32           HA       ASP  32   4.128  -7.239   8.235
  263   1HB   ASP  32          2HB       ASP  32   1.836  -5.615   8.182
  264   2HB   ASP  32          1HB       ASP  32   1.242  -7.270   8.111
  265    H    LYS  33           H        LYS  33   3.060  -7.315   5.056
  266    HA   LYS  33           HA       LYS  33   2.283 -10.144   5.221
  267   1HB   LYS  33          2HB       LYS  33   1.683  -7.944   3.293
  268   2HB   LYS  33          1HB       LYS  33   1.682  -9.601   2.705
  269   1HG   LYS  33          2HG       LYS  33   0.186  -9.708   5.035
  270   2HG   LYS  33          1HG       LYS  33  -0.296  -8.192   4.270
  271   1HD   LYS  33          2HD       LYS  33  -0.531  -9.560   2.122
  272   2HD   LYS  33          1HD       LYS  33  -0.451 -10.982   3.166
  273   1HE   LYS  33          2HE       LYS  33  -2.297  -9.304   4.395
  274   2HE   LYS  33          1HE       LYS  33  -2.652  -9.169   2.674
  275   1HZ   LYS  33          1HZ       LYS  33  -2.442 -11.721   4.179
  276   2HZ   LYS  33          2HZ       LYS  33  -2.843 -11.561   2.544
  277   3HZ   LYS  33          3HZ       LYS  33  -3.890 -10.969   3.732
  278    H    GLU  34           H        GLU  34   4.415  -7.913   3.480
  279    HA   GLU  34           HA       GLU  34   5.857 -10.200   2.347
  280   1HB   GLU  34          2HB       GLU  34   6.123  -7.258   1.711
  281   2HB   GLU  34          1HB       GLU  34   6.930  -8.572   0.869
  282   1HG   GLU  34          2HG       GLU  34   4.070  -8.962   0.944
  283   2HG   GLU  34          1HG       GLU  34   4.500  -7.414   0.219
  284    H    GLY  35           H        GLY  35   6.095  -7.788   4.776
  285   1HA   GLY  35          2HA       GLY  35   7.677  -7.573   6.450
  286   2HA   GLY  35          1HA       GLY  35   8.579  -8.889   5.713
  287    H    ILE  36           H        ILE  36   7.636  -6.074   3.887
  288    HA   ILE  36           HA       ILE  36  10.472  -5.309   3.714
  289    HB   ILE  36           HB       ILE  36   8.289  -4.557   1.774
  290   1HG1  ILE  36          2HG1      ILE  36  10.230  -6.877   1.686
  291   2HG1  ILE  36          1HG1      ILE  36   8.473  -6.974   1.767
  292   1HG2  ILE  36          1HG2      ILE  36  11.267  -4.619   1.353
  293   2HG2  ILE  36          2HG2      ILE  36  10.401  -3.186   1.905
  294   3HG2  ILE  36          3HG2      ILE  36  10.036  -3.882   0.327
  295   1HD1  ILE  36          1HD1      ILE  36   9.760  -7.295  -0.494
  296   2HD1  ILE  36          2HD1      ILE  36   9.701  -5.532  -0.518
  297   3HD1  ILE  36          3HD1      ILE  36   8.205  -6.465  -0.436
  298    HA   PRO  37           HA       PRO  37   9.463  -1.597   5.924
  299   1HB   PRO  37          2HB       PRO  37  11.706  -0.188   5.275
  300   2HB   PRO  37          1HB       PRO  37  11.678  -1.463   6.498
  301   1HG   PRO  37          2HG       PRO  37  12.568  -1.594   3.642
  302   2HG   PRO  37          1HG       PRO  37  13.327  -2.295   5.084
  303   1HD   PRO  37          2HD       PRO  37  11.834  -3.770   3.390
  304   2HD   PRO  37          1HD       PRO  37  11.867  -4.086   5.137
  305    HA   PRO  38           HA       PRO  38   7.390   0.915   2.918
  306   1HB   PRO  38          2HB       PRO  38   7.897   3.066   4.916
  307   2HB   PRO  38          1HB       PRO  38   6.381   2.570   4.155
  308   1HG   PRO  38          2HG       PRO  38   6.914   1.917   6.683
  309   2HG   PRO  38          1HG       PRO  38   6.089   0.780   5.600
  310   1HD   PRO  38          2HD       PRO  38   8.923   0.790   6.540
  311   2HD   PRO  38          1HD       PRO  38   7.842  -0.582   6.224
  312    H    ASP  39           H        ASP  39  10.471   1.756   4.328
  313    HA   ASP  39           HA       ASP  39  11.106   4.023   2.827
  314   1HB   ASP  39          2HB       ASP  39  12.362   2.836   4.806
  315   2HB   ASP  39          1HB       ASP  39  13.218   2.010   3.507
  316    H    GLN  40           H        GLN  40  10.917   0.707   1.908
  317    HA   GLN  40           HA       GLN  40  12.075   1.382  -0.716
  318   1HB   GLN  40          2HB       GLN  40  12.007  -1.395   0.448
  319   2HB   GLN  40          1HB       GLN  40  12.929  -0.821  -0.934
  320   1HG   GLN  40          2HG       GLN  40  14.224   0.626   0.637
  321   2HG   GLN  40          1HG       GLN  40  13.393  -0.181   1.966
  322   1HE2  GLN  40          1HE2      GLN  40  13.588  -2.563   2.013
  323   2HE2  GLN  40          2HE2      GLN  40  15.097  -3.262   1.545
  324    H    GLN  41           H        GLN  41   9.246   1.302   0.538
  325    HA   GLN  41           HA       GLN  41   7.981  -0.573  -1.326
  326   1HB   GLN  41          2HB       GLN  41   6.968   0.917   1.090
  327   2HB   GLN  41          1HB       GLN  41   5.885   0.091  -0.022
  328   1HG   GLN  41          2HG       GLN  41   7.486  -1.938   0.432
  329   2HG   GLN  41          1HG       GLN  41   7.851  -1.034   1.901
  330   1HE2  GLN  41          1HE2      GLN  41   6.721  -1.715   3.559
  331   2HE2  GLN  41          2HE2      GLN  41   5.085  -2.270   3.526
  332    H    ARG  42           H        ARG  42   7.574   0.241  -3.269
  333    HA   ARG  42           HA       ARG  42   6.628   3.025  -3.455
  334   1HB   ARG  42          2HB       ARG  42   8.685   2.870  -4.628
  335   2HB   ARG  42          1HB       ARG  42   8.231   1.344  -5.374
  336   1HG   ARG  42          2HG       ARG  42   6.346   2.706  -6.487
  337   2HG   ARG  42          1HG       ARG  42   7.312   4.112  -6.035
  338   1HD   ARG  42          2HD       ARG  42   8.734   1.889  -7.370
  339   2HD   ARG  42          1HD       ARG  42   7.607   2.816  -8.359
  340    HE   ARG  42           HE       ARG  42   9.332   4.524  -6.882
  341   1HH1  ARG  42          2HH1      ARG  42   9.201   2.452  -9.675
  342   2HH1  ARG  42          1HH1      ARG  42  10.449   3.300 -10.527
  343   1HH2  ARG  42          1HH2      ARG  42  10.976   5.653  -7.993
  344   2HH2  ARG  42          2HH2      ARG  42  11.458   5.122  -9.570
  345    H    LEU  43           H        LEU  43   4.517   3.158  -3.800
  346    HA   LEU  43           HA       LEU  43   3.162   0.976  -5.220
  347   1HB   LEU  43          2HB       LEU  43   1.722   3.183  -3.808
  348   2HB   LEU  43          1HB       LEU  43   1.204   1.534  -4.103
  349    HG   LEU  43           HG       LEU  43   3.172   2.501  -2.037
  350   1HD1  LEU  43          1HD1      LEU  43   0.559   1.009  -1.847
  351   2HD1  LEU  43          2HD1      LEU  43   0.831   2.700  -1.428
  352   3HD1  LEU  43          3HD1      LEU  43   1.606   1.425  -0.489
  353   1HD2  LEU  43          1HD2      LEU  43   2.459  -0.378  -2.450
  354   2HD2  LEU  43          2HD2      LEU  43   3.800   0.319  -1.541
  355   3HD2  LEU  43          3HD2      LEU  43   3.819   0.350  -3.305
  356    H    ILE  44           H        ILE  44   2.378   1.265  -7.205
  357    HA   ILE  44           HA       ILE  44   2.183   4.022  -8.233
  358    HB   ILE  44           HB       ILE  44   2.726   1.584  -9.919
  359   1HG1  ILE  44          2HG1      ILE  44   4.573   1.880  -8.331
  360   2HG1  ILE  44          1HG1      ILE  44   5.080   2.289  -9.968
  361   1HG2  ILE  44          1HG2      ILE  44   2.354   4.450 -10.410
  362   2HG2  ILE  44          2HG2      ILE  44   2.127   3.073 -11.487
  363   3HG2  ILE  44          3HG2      ILE  44   3.742   3.734 -11.230
  364   1HD1  ILE  44          1HD1      ILE  44   5.960   4.077  -8.942
  365   2HD1  ILE  44          2HD1      ILE  44   4.844   3.983  -7.579
  366   3HD1  ILE  44          3HD1      ILE  44   4.322   4.713  -9.099
  367    H    PHE  45           H        PHE  45   0.078   4.526  -8.233
  368    HA   PHE  45           HA       PHE  45  -1.778   2.627  -9.505
  369   1HB   PHE  45          2HB       PHE  45  -2.083   2.788  -7.012
  370   2HB   PHE  45          1HB       PHE  45  -2.503   4.484  -7.233
  371    HD1  PHE  45           HD1      PHE  45  -4.748   4.886  -7.055
  372    HD2  PHE  45           HD2      PHE  45  -3.441   1.272  -8.901
  373    HE1  PHE  45           HE1      PHE  45  -7.095   4.254  -7.469
  374    HE2  PHE  45           HE2      PHE  45  -5.784   0.633  -9.320
  375    HZ   PHE  45           HZ       PHE  45  -7.614   2.125  -8.605
  376    H    ALA  46           H        ALA  46  -2.950   3.420 -11.136
  377    HA   ALA  46           HA       ALA  46  -3.641   4.862 -12.763
  378   1HB   ALA  46          1HB       ALA  46  -4.047   7.015 -10.754
  379   2HB   ALA  46          2HB       ALA  46  -4.950   5.512 -10.564
  380   3HB   ALA  46          3HB       ALA  46  -5.111   6.456 -12.045
  381    H    GLY  47           H        GLY  47  -0.895   4.797 -12.551
  382   1HA   GLY  47          2HA       GLY  47   0.981   5.945 -13.202
  383   2HA   GLY  47          1HA       GLY  47  -0.122   7.111 -13.918
  384    H    LYS  48           H        LYS  48  -0.292   6.471 -10.520
  385    HA   LYS  48           HA       LYS  48   1.224   8.920  -9.940
  386   1HB   LYS  48          2HB       LYS  48  -1.244   9.377 -10.011
  387   2HB   LYS  48          1HB       LYS  48  -1.438   8.247  -8.679
  388   1HG   LYS  48          2HG       LYS  48  -0.975   9.839  -7.217
  389   2HG   LYS  48          1HG       LYS  48   0.580  10.143  -7.996
  390   1HD   LYS  48          2HD       LYS  48  -0.230  12.148  -8.549
  391   2HD   LYS  48          1HD       LYS  48  -1.261  11.305  -9.708
  392   1HE   LYS  48          2HE       LYS  48  -2.304  11.287  -6.979
  393   2HE   LYS  48          1HE       LYS  48  -2.133  12.905  -7.657
  394   1HZ   LYS  48          1HZ       LYS  48  -4.317  11.790  -8.067
  395   2HZ   LYS  48          2HZ       LYS  48  -3.511  10.699  -9.078
  396   3HZ   LYS  48          3HZ       LYS  48  -3.531  12.346  -9.459
  397    H    GLN  49           H        GLN  49   2.474   8.839  -8.146
  398    HA   GLN  49           HA       GLN  49   2.736   6.271  -6.831
  399   1HB   GLN  49          2HB       GLN  49   4.326   8.717  -6.123
  400   2HB   GLN  49          1HB       GLN  49   4.803   7.027  -6.036
  401   1HG   GLN  49          2HG       GLN  49   4.675   7.003  -8.562
  402   2HG   GLN  49          1HG       GLN  49   4.551   8.760  -8.472
  403   1HE2  GLN  49          1HE2      GLN  49   6.522   6.205  -6.985
  404   2HE2  GLN  49          2HE2      GLN  49   8.038   6.994  -7.231
  405    H    LEU  50           H        LEU  50   2.264   5.810  -4.733
  406    HA   LEU  50           HA       LEU  50   0.452   7.599  -3.380
  407   1HB   LEU  50          2HB       LEU  50   1.547   4.906  -2.567
  408   2HB   LEU  50          1HB       LEU  50   0.291   5.779  -1.711
  409    HG   LEU  50           HG       LEU  50   0.143   4.257  -4.254
  410   1HD1  LEU  50          1HD1      LEU  50  -2.095   3.723  -3.319
  411   2HD1  LEU  50          2HD1      LEU  50  -1.702   4.723  -1.920
  412   3HD1  LEU  50          3HD1      LEU  50  -0.756   3.274  -2.261
  413   1HD2  LEU  50          1HD2      LEU  50  -2.021   5.528  -4.736
  414   2HD2  LEU  50          2HD2      LEU  50  -0.501   6.299  -5.189
  415   3HD2  LEU  50          3HD2      LEU  50  -1.346   6.806  -3.726
  416    H    GLU  51           H        GLU  51   0.980   9.052  -1.887
  417    HA   GLU  51           HA       GLU  51   3.666   8.908  -0.697
  418   1HB   GLU  51          2HB       GLU  51   1.866  11.162  -1.454
  419   2HB   GLU  51          1HB       GLU  51   2.955  11.394  -0.093
  420   1HG   GLU  51          2HG       GLU  51   4.773  11.514  -1.398
  421   2HG   GLU  51          1HG       GLU  51   4.202  10.253  -2.490
  422    H    ASP  52           H        ASP  52   3.955   8.899   1.484
  423    HA   ASP  52           HA       ASP  52   1.849   7.992   3.133
  424   1HB   ASP  52          2HB       ASP  52   4.449   9.189   4.096
  425   2HB   ASP  52          1HB       ASP  52   3.439   8.002   4.917
  426    H    GLY  53           H        GLY  53   0.607  10.059   2.231
  427   1HA   GLY  53          2HA       GLY  53   0.354  11.815   4.530
  428   2HA   GLY  53          1HA       GLY  53   0.800  12.597   3.022
  429    H    ARG  54           H        ARG  54  -0.865  10.652   1.450
  430    HA   ARG  54           HA       ARG  54  -3.424  11.987   1.942
  431   1HB   ARG  54          2HB       ARG  54  -2.683  10.366  -0.487
  432   2HB   ARG  54          1HB       ARG  54  -3.971  11.552  -0.328
  433   1HG   ARG  54          2HG       ARG  54  -1.484  12.809   0.267
  434   2HG   ARG  54          1HG       ARG  54  -1.345  11.943  -1.264
  435   1HD   ARG  54          2HD       ARG  54  -3.734  13.655  -0.730
  436   2HD   ARG  54          1HD       ARG  54  -2.216  14.399  -1.230
  437    HE   ARG  54           HE       ARG  54  -4.000  12.827  -2.853
  438   1HH1  ARG  54          2HH1      ARG  54  -0.741  13.990  -2.458
  439   2HH1  ARG  54          1HH1      ARG  54  -0.346  13.842  -4.138
  440   1HH2  ARG  54          1HH2      ARG  54  -3.490  12.626  -5.069
  441   2HH2  ARG  54          2HH2      ARG  54  -1.909  13.067  -5.622
  442    H    THR  55           H        THR  55  -5.304  10.458   0.985
  443    HA   THR  55           HA       THR  55  -5.052   7.881   2.399
  444    HB   THR  55           HB       THR  55  -7.545   8.057   2.776
  445    HG1  THR  55           HG1      THR  55  -8.411  10.184   2.632
  446   1HG2  THR  55          1HG2      THR  55  -5.619   8.705   4.410
  447   2HG2  THR  55          2HG2      THR  55  -7.280   9.150   4.802
  448   3HG2  THR  55          3HG2      THR  55  -6.181  10.353   4.127
  449    H    LEU  56           H        LEU  56  -6.474   6.162   1.605
  450    HA   LEU  56           HA       LEU  56  -6.192   5.655  -1.094
  451   1HB   LEU  56          2HB       LEU  56  -8.372   4.557   0.682
  452   2HB   LEU  56          1HB       LEU  56  -7.768   3.833  -0.796
  453    HG   LEU  56           HG       LEU  56  -6.190   4.182   1.755
  454   1HD1  LEU  56          1HD1      LEU  56  -7.642   2.457   2.240
  455   2HD1  LEU  56          2HD1      LEU  56  -6.273   1.592   1.541
  456   3HD1  LEU  56          3HD1      LEU  56  -7.711   1.903   0.568
  457   1HD2  LEU  56          1HD2      LEU  56  -4.343   3.476   0.690
  458   2HD2  LEU  56          2HD2      LEU  56  -5.160   4.102  -0.743
  459   3HD2  LEU  56          3HD2      LEU  56  -5.240   2.381  -0.362
  460    H    SER  57           H        SER  57  -8.915   7.113   0.612
  461    HA   SER  57           HA       SER  57 -10.711   7.188  -1.553
  462   1HB   SER  57          2HB       SER  57 -12.079   8.466  -0.190
  463   2HB   SER  57          1HB       SER  57 -11.051   7.688   1.013
  464    HG   SER  57           HG       SER  57 -11.406  10.136   0.993
  465    H    ASP  58           H        ASP  58  -8.024   9.210  -0.663
  466    HA   ASP  58           HA       ASP  58  -8.678  11.474  -2.224
  467   1HB   ASP  58          2HB       ASP  58  -5.998  10.437  -1.280
  468   2HB   ASP  58          1HB       ASP  58  -6.243  12.009  -2.033
  469    H    TYR  59           H        TYR  59  -7.307   8.384  -2.996
  470    HA   TYR  59           HA       TYR  59  -6.542   9.300  -5.672
  471   1HB   TYR  59          2HB       TYR  59  -6.051   6.663  -4.271
  472   2HB   TYR  59          1HB       TYR  59  -5.497   7.059  -5.895
  473    HD1  TYR  59           HD1      TYR  59  -3.755   8.801  -6.218
  474    HD2  TYR  59           HD2      TYR  59  -4.891   7.451  -2.337
  475    HE1  TYR  59           HE1      TYR  59  -1.688   9.765  -5.284
  476    HE2  TYR  59           HE2      TYR  59  -2.829   8.413  -1.392
  477    HH   TYR  59           HH       TYR  59  -0.889  10.595  -3.045
  478    H    ASN  60           H        ASN  60  -9.318   8.579  -4.402
  479    HA   ASN  60           HA       ASN  60 -11.288   7.678  -5.097
  480   1HB   ASN  60          2HB       ASN  60 -10.210   7.528  -7.891
  481   2HB   ASN  60          1HB       ASN  60 -11.825   7.968  -7.345
  482   1HD2  ASN  60          1HD2      ASN  60 -10.408   9.459  -9.195
  483   2HD2  ASN  60          2HD2      ASN  60 -10.014  10.990  -8.499
  484    H    ILE  61           H        ILE  61  -9.507   5.810  -4.083
  485    HA   ILE  61           HA       ILE  61  -9.446   3.531  -5.877
  486    HB   ILE  61           HB       ILE  61  -8.661   3.729  -2.966
  487   1HG1  ILE  61          2HG1      ILE  61  -6.827   3.557  -5.355
  488   2HG1  ILE  61          1HG1      ILE  61  -7.356   5.101  -4.692
  489   1HG2  ILE  61          1HG2      ILE  61  -9.277   1.451  -3.713
  490   2HG2  ILE  61          2HG2      ILE  61  -7.578   1.599  -3.262
  491   3HG2  ILE  61          3HG2      ILE  61  -8.039   1.561  -4.964
  492   1HD1  ILE  61          1HD1      ILE  61  -6.276   3.266  -2.696
  493   2HD1  ILE  61          2HD1      ILE  61  -5.941   4.976  -2.975
  494   3HD1  ILE  61          3HD1      ILE  61  -5.123   3.747  -3.941
  495    H    GLN  62           H        GLN  62 -10.758   1.761  -5.802
  496    HA   GLN  62           HA       GLN  62 -13.114   1.977  -4.079
  497   1HB   GLN  62          2HB       GLN  62 -12.567   0.422  -6.604
  498   2HB   GLN  62          1HB       GLN  62 -14.012   0.174  -5.633
  499   1HG   GLN  62          2HG       GLN  62 -15.008   1.906  -6.575
  500   2HG   GLN  62          1HG       GLN  62 -13.666   2.968  -6.150
  501   1HE2  GLN  62          1HE2      GLN  62 -14.218   4.001  -8.193
  502   2HE2  GLN  62          2HE2      GLN  62 -13.555   3.367  -9.656
  503    H    LYS  63           H        LYS  63 -14.061  -0.411  -3.701
  504    HA   LYS  63           HA       LYS  63 -12.224  -1.613  -1.860
  505   1HB   LYS  63          2HB       LYS  63 -14.995  -2.481  -2.693
  506   2HB   LYS  63          1HB       LYS  63 -14.095  -3.109  -1.319
  507   1HG   LYS  63          2HG       LYS  63 -15.516  -1.579  -0.341
  508   2HG   LYS  63          1HG       LYS  63 -14.027  -0.653  -0.539
  509   1HD   LYS  63          2HD       LYS  63 -14.881   0.604  -2.282
  510   2HD   LYS  63          1HD       LYS  63 -16.102  -0.603  -2.687
  511   1HE   LYS  63          2HE       LYS  63 -17.552   0.650  -1.553
  512   2HE   LYS  63          1HE       LYS  63 -16.719   0.130  -0.089
  513   1HZ   LYS  63          1HZ       LYS  63 -16.564   2.677  -1.511
  514   2HZ   LYS  63          2HZ       LYS  63 -15.151   2.118  -0.770
  515   3HZ   LYS  63          3HZ       LYS  63 -16.547   2.364   0.152
  516    H    GLU  64           H        GLU  64 -12.320  -1.901  -5.094
  517    HA   GLU  64           HA       GLU  64 -11.292  -4.641  -4.969
  518   1HB   GLU  64          2HB       GLU  64 -12.920  -3.871  -7.344
  519   2HB   GLU  64          1HB       GLU  64 -12.642  -5.460  -6.643
  520   1HG   GLU  64          2HG       GLU  64 -14.287  -5.195  -5.049
  521   2HG   GLU  64          1HG       GLU  64 -14.233  -3.434  -5.133
  522    H    SER  65           H        SER  65 -10.289  -1.761  -5.347
  523    HA   SER  65           HA       SER  65  -9.230  -1.662  -7.997
  524   1HB   SER  65          2HB       SER  65  -8.028  -0.153  -5.698
  525   2HB   SER  65          1HB       SER  65  -8.228   0.351  -7.375
  526    HG   SER  65           HG       SER  65 -10.622   0.066  -6.713
  527    H    THR  66           H        THR  66  -6.944  -1.714  -8.543
  528    HA   THR  66           HA       THR  66  -5.413  -3.559  -6.827
  529    HB   THR  66           HB       THR  66  -5.479  -3.482  -9.850
  530    HG1  THR  66           HG1      THR  66  -7.201  -4.667  -9.192
  531   1HG2  THR  66          1HG2      THR  66  -4.019  -5.554  -9.567
  532   2HG2  THR  66          2HG2      THR  66  -3.747  -5.000  -7.915
  533   3HG2  THR  66          3HG2      THR  66  -3.249  -3.994  -9.275
  534    H    ILE  67           H        ILE  67  -3.477  -2.858  -6.208
  535    HA   ILE  67           HA       ILE  67  -2.330  -0.532  -7.605
  536    HB   ILE  67           HB       ILE  67  -2.002  -1.376  -4.723
  537   1HG1  ILE  67          2HG1      ILE  67  -3.085   0.888  -4.337
  538   2HG1  ILE  67          1HG1      ILE  67  -3.462   0.908  -6.056
  539   1HG2  ILE  67          1HG2      ILE  67   0.065  -0.449  -5.367
  540   2HG2  ILE  67          2HG2      ILE  67  -0.806   0.853  -4.557
  541   3HG2  ILE  67          3HG2      ILE  67  -0.709   0.818  -6.318
  542   1HD1  ILE  67          1HD1      ILE  67  -5.155  -0.533  -5.829
  543   2HD1  ILE  67          2HD1      ILE  67  -5.104  -0.041  -4.136
  544   3HD1  ILE  67          3HD1      ILE  67  -4.295  -1.522  -4.648
  545    H    HIS  68           H        HIS  68  -0.094  -0.469  -7.990
  546    HA   HIS  68           HA       HIS  68   1.154  -3.119  -8.096
  547   1HB   HIS  68          2HB       HIS  68   2.016  -0.571  -9.480
  548   2HB   HIS  68          1HB       HIS  68   2.645  -2.190  -9.770
  549    HD1  HIS  68           HD1      HIS  68   1.957  -2.084 -12.259
  550    HD2  HIS  68           HD2      HIS  68  -1.217  -1.722  -9.602
  551    HE1  HIS  68           HE1      HIS  68  -0.118  -2.370 -13.649
  552    HE2  HIS  68           HE2      HIS  68  -2.024  -2.240 -12.004
  553    H    LEU  69           H        LEU  69   2.900  -3.629  -6.924
  554    HA   LEU  69           HA       LEU  69   4.085  -1.505  -5.268
  555   1HB   LEU  69          2HB       LEU  69   3.007  -3.224  -3.958
  556   2HB   LEU  69          1HB       LEU  69   3.887  -4.479  -4.809
  557    HG   LEU  69           HG       LEU  69   5.998  -3.247  -3.856
  558   1HD1  LEU  69          1HD1      LEU  69   3.745  -2.045  -2.374
  559   2HD1  LEU  69          2HD1      LEU  69   5.348  -1.401  -2.728
  560   3HD1  LEU  69          3HD1      LEU  69   5.133  -2.559  -1.415
  561   1HD2  LEU  69          1HD2      LEU  69   4.600  -4.663  -1.690
  562   2HD2  LEU  69          2HD2      LEU  69   6.164  -4.986  -2.438
  563   3HD2  LEU  69          3HD2      LEU  69   4.681  -5.521  -3.227
  564    H    VAL  70           H        VAL  70   6.217  -1.091  -5.368
  565    HA   VAL  70           HA       VAL  70   7.923  -2.925  -6.912
  566    HB   VAL  70           HB       VAL  70   8.667  -0.101  -7.154
  567   1HG1  VAL  70          1HG1      VAL  70   8.452  -2.495  -8.941
  568   2HG1  VAL  70          2HG1      VAL  70   9.884  -1.580  -8.469
  569   3HG1  VAL  70          3HG1      VAL  70   8.731  -0.888  -9.610
  570   1HG2  VAL  70          1HG2      VAL  70   6.069  -1.073  -8.324
  571   2HG2  VAL  70          2HG2      VAL  70   6.950   0.324  -8.940
  572   3HG2  VAL  70          3HG2      VAL  70   6.332   0.330  -7.289
  573    H    LEU  71           H        LEU  71   9.696  -3.505  -5.844
  574    HA   LEU  71           HA       LEU  71  10.281  -2.744  -3.250
  575   1HB   LEU  71          2HB       LEU  71  11.326  -4.535  -5.112
  576   2HB   LEU  71          1HB       LEU  71  12.677  -3.496  -4.699
  577    HG   LEU  71           HG       LEU  71  11.122  -5.349  -2.931
  578   1HD1  LEU  71          1HD1      LEU  71  13.362  -6.073  -2.283
  579   2HD1  LEU  71          2HD1      LEU  71  14.067  -4.857  -3.349
  580   3HD1  LEU  71          3HD1      LEU  71  13.129  -6.188  -4.028
  581   1HD2  LEU  71          1HD2      LEU  71  11.043  -3.363  -1.655
  582   2HD2  LEU  71          2HD2      LEU  71  12.696  -2.929  -2.091
  583   3HD2  LEU  71          3HD2      LEU  71  12.398  -4.299  -1.020
  584    H    ARG  72           H        ARG  72  11.283  -1.298  -6.270
  585    HA   ARG  72           HA       ARG  72  12.058   0.838  -6.637
  586   1HB   ARG  72          2HB       ARG  72  11.296   0.989  -3.966
  587   2HB   ARG  72          1HB       ARG  72  12.980   1.493  -3.956
  588   1HG   ARG  72          2HG       ARG  72  11.763   2.804  -6.128
  589   2HG   ARG  72          1HG       ARG  72  10.663   2.954  -4.755
  590   1HD   ARG  72          2HD       ARG  72  12.237   4.068  -3.456
  591   2HD   ARG  72          1HD       ARG  72  13.590   3.488  -4.426
  592    HE   ARG  72           HE       ARG  72  12.288   5.009  -6.191
  593   1HH1  ARG  72          2HH1      ARG  72  13.202   5.606  -2.884
  594   2HH1  ARG  72          1HH1      ARG  72  13.365   7.316  -3.102
  595   1HH2  ARG  72          1HH2      ARG  72  12.500   7.258  -6.490
  596   2HH2  ARG  72          2HH2      ARG  72  12.965   8.256  -5.153
  597    H    LEU  73           H        LEU  73  14.158   1.899  -6.757
  598    HA   LEU  73           HA       LEU  73  16.410   1.875  -7.067
  599   1HB   LEU  73          2HB       LEU  73  15.965   0.879  -4.431
  600   2HB   LEU  73          1HB       LEU  73  17.289  -0.022  -5.142
  601    HG   LEU  73           HG       LEU  73  18.278   2.281  -5.743
  602   1HD1  LEU  73          1HD1      LEU  73  15.921   3.252  -4.905
  603   2HD1  LEU  73          2HD1      LEU  73  17.423   4.175  -4.863
  604   3HD1  LEU  73          3HD1      LEU  73  16.843   3.367  -3.406
  605   1HD2  LEU  73          1HD2      LEU  73  18.116   1.630  -2.811
  606   2HD2  LEU  73          2HD2      LEU  73  19.451   2.374  -3.691
  607   3HD2  LEU  73          3HD2      LEU  73  19.055   0.676  -3.960
  608    H    ARG  74           H        ARG  74  18.327  -0.113  -6.813
  609    HA   ARG  74           HA       ARG  74  17.484  -2.592  -7.922
  610   1HB   ARG  74          2HB       ARG  74  18.357  -2.372 -10.161
  611   2HB   ARG  74          1HB       ARG  74  17.159  -1.114  -9.890
  612   1HG   ARG  74          2HG       ARG  74  19.684  -0.067  -9.155
  613   2HG   ARG  74          1HG       ARG  74  19.855  -0.850 -10.727
  614   1HD   ARG  74          2HD       ARG  74  17.789   0.415 -11.441
  615   2HD   ARG  74          1HD       ARG  74  17.938   1.335  -9.945
  616    HE   ARG  74           HE       ARG  74  20.327   1.302 -11.553
  617   1HH1  ARG  74          2HH1      ARG  74  17.297   2.898 -10.926
  618   2HH1  ARG  74          1HH1      ARG  74  17.804   4.410 -11.601
  619   1HH2  ARG  74          1HH2      ARG  74  21.008   3.288 -12.445
  620   2HH2  ARG  74          2HH2      ARG  74  19.915   4.631 -12.467
  621    H    GLY  75           H        GLY  75  18.847  -2.999  -6.008
  622   1HA   GLY  75          2HA       GLY  75  20.833  -3.574  -4.997
  623   2HA   GLY  75          1HA       GLY  75  21.300  -4.075  -6.616
  624    H    GLY  76           HN       GLY  76  22.464  -2.609  -7.949
  625   1HA   GLY  76          2HA       GLY  76  23.978  -0.934  -8.383
  626   2HA   GLY  76          1HA       GLY  76  23.244  -0.024  -7.072
  Start of MODEL    7
    1   2H    MET   1          2H        MET   1 -14.223  -3.390   3.073
    2   3H    MET   1          3H        MET   1 -14.218  -4.666   1.961
    3   1H    MET   1          1H        MET   1 -15.347  -3.414   1.809
    4    HA   MET   1           HA       MET   1 -13.850  -2.802   0.230
    5   1HB   MET   1          2HB       MET   1 -14.140  -0.991   1.882
    6   2HB   MET   1          1HB       MET   1 -12.738  -1.582   2.765
    7   1HG   MET   1          2HG       MET   1 -11.664  -0.018   1.573
    8   2HG   MET   1          1HG       MET   1 -11.650  -1.268   0.330
    9   1HE   MET   1          1HE       MET   1 -11.122   1.589   0.082
   10   2HE   MET   1          2HE       MET   1 -12.349   2.640  -0.625
   11   3HE   MET   1          3HE       MET   1 -11.562   1.412  -1.617
   12    H    GLN   2           H        GLN   2 -12.916  -4.988  -0.104
   13    HA   GLN   2           HA       GLN   2 -10.207  -5.294   0.965
   14   1HB   GLN   2          2HB       GLN   2 -12.296  -7.112   0.250
   15   2HB   GLN   2          1HB       GLN   2 -10.882  -7.462  -0.737
   16   1HG   GLN   2          2HG       GLN   2  -9.844  -8.425   0.963
   17   2HG   GLN   2          1HG       GLN   2 -10.128  -7.032   2.007
   18   1HE2  GLN   2          1HE2      GLN   2 -10.152  -9.664   2.918
   19   2HE2  GLN   2          2HE2      GLN   2 -11.754 -10.055   3.434
   20    H    VAL   3           H        VAL   3  -8.600  -4.488  -0.160
   21    HA   VAL   3           HA       VAL   3  -8.866  -4.161  -3.063
   22    HB   VAL   3           HB       VAL   3  -6.945  -2.660  -2.927
   23   1HG1  VAL   3          1HG1      VAL   3  -9.427  -2.047  -2.247
   24   2HG1  VAL   3          2HG1      VAL   3  -8.120  -0.867  -2.147
   25   3HG1  VAL   3          3HG1      VAL   3  -8.661  -1.710  -0.695
   26   1HG2  VAL   3          1HG2      VAL   3  -5.573  -3.472  -1.237
   27   2HG2  VAL   3          2HG2      VAL   3  -6.897  -3.579  -0.076
   28   3HG2  VAL   3          3HG2      VAL   3  -6.243  -2.004  -0.526
   29    H    PHE   4           H        PHE   4  -6.794  -4.471  -4.331
   30    HA   PHE   4           HA       PHE   4  -5.391  -6.879  -3.375
   31   1HB   PHE   4          2HB       PHE   4  -5.987  -6.208  -6.260
   32   2HB   PHE   4          1HB       PHE   4  -5.314  -7.709  -5.633
   33    HD1  PHE   4           HD1      PHE   4  -6.719  -9.498  -5.250
   34    HD2  PHE   4           HD2      PHE   4  -8.349  -5.559  -5.349
   35    HE1  PHE   4           HE1      PHE   4  -8.990 -10.438  -5.061
   36    HE2  PHE   4           HE2      PHE   4 -10.623  -6.491  -5.160
   37    HZ   PHE   4           HZ       PHE   4 -10.946  -8.933  -5.015
   38    H    LEU   5           H        LEU   5  -3.200  -6.993  -3.633
   39    HA   LEU   5           HA       LEU   5  -1.880  -4.639  -4.815
   40   1HB   LEU   5          2HB       LEU   5  -1.672  -4.428  -2.447
   41   2HB   LEU   5          1HB       LEU   5  -1.218  -6.113  -2.274
   42    HG   LEU   5           HG       LEU   5   0.872  -5.556  -3.604
   43   1HD1  LEU   5          1HD1      LEU   5   0.674  -2.747  -2.789
   44   2HD1  LEU   5          2HD1      LEU   5  -0.384  -3.208  -4.123
   45   3HD1  LEU   5          3HD1      LEU   5   1.356  -3.463  -4.248
   46   1HD2  LEU   5          1HD2      LEU   5   0.763  -5.863  -1.131
   47   2HD2  LEU   5          2HD2      LEU   5   0.572  -4.117  -0.974
   48   3HD2  LEU   5          3HD2      LEU   5   2.049  -4.782  -1.671
   49    H    LYS   6           H        LYS   6  -0.174  -5.014  -6.141
   50    HA   LYS   6           HA       LYS   6   0.428  -7.825  -6.725
   51   1HB   LYS   6          2HB       LYS   6   0.579  -5.297  -8.331
   52   2HB   LYS   6          1HB       LYS   6   1.537  -6.695  -8.800
   53   1HG   LYS   6          2HG       LYS   6  -1.088  -7.614  -8.326
   54   2HG   LYS   6          1HG       LYS   6  -1.209  -6.154  -9.310
   55   1HD   LYS   6          2HD       LYS   6   0.879  -8.080 -10.108
   56   2HD   LYS   6          1HD       LYS   6  -0.789  -8.612 -10.328
   57   1HE   LYS   6          2HE       LYS   6  -1.219  -6.454 -11.530
   58   2HE   LYS   6          1HE       LYS   6   0.516  -6.146 -11.463
   59   1HZ   LYS   6          1HZ       LYS   6  -0.545  -7.295 -13.527
   60   2HZ   LYS   6          2HZ       LYS   6  -0.432  -8.691 -12.577
   61   3HZ   LYS   6          3HZ       LYS   6   0.962  -7.807 -12.949
   62    H    THR   7           H        THR   7   2.514  -8.609  -6.781
   63    HA   THR   7           HA       THR   7   4.536  -6.880  -5.517
   64    HB   THR   7           HB       THR   7   4.871  -8.522  -4.050
   65    HG1  THR   7           HG1      THR   7   5.868 -10.451  -4.796
   66   1HG2  THR   7          1HG2      THR   7   3.117 -10.352  -5.689
   67   2HG2  THR   7          2HG2      THR   7   2.512  -9.175  -4.525
   68   3HG2  THR   7          3HG2      THR   7   3.522 -10.514  -3.980
   69    H    LEU   8           H        LEU   8   6.850  -7.941  -6.004
   70    HA   LEU   8           HA       LEU   8   7.376  -7.380  -8.717
   71   1HB   LEU   8          2HB       LEU   8   9.224  -8.923  -6.918
   72   2HB   LEU   8          1HB       LEU   8   9.641  -7.844  -8.236
   73    HG   LEU   8           HG       LEU   8   8.589  -7.086  -5.516
   74   1HD1  LEU   8          1HD1      LEU   8  10.767  -7.028  -5.062
   75   2HD1  LEU   8          2HD1      LEU   8  10.849  -5.620  -6.121
   76   3HD1  LEU   8          3HD1      LEU   8  11.206  -7.225  -6.759
   77   1HD2  LEU   8          1HD2      LEU   8   7.488  -5.685  -7.152
   78   2HD2  LEU   8          2HD2      LEU   8   9.029  -5.344  -7.938
   79   3HD2  LEU   8          3HD2      LEU   8   8.723  -4.754  -6.305
   80    H    THR   9           H        THR   9   6.131 -10.143  -7.291
   81    HA   THR   9           HA       THR   9   7.238 -11.941  -9.320
   82    HB   THR   9           HB       THR   9   6.500 -13.763  -8.027
   83    HG1  THR   9           HG1      THR   9   5.160 -12.910  -5.998
   84   1HG2  THR   9          1HG2      THR   9   6.994 -12.624  -5.545
   85   2HG2  THR   9          2HG2      THR   9   7.855 -11.580  -6.675
   86   3HG2  THR   9          3HG2      THR   9   8.194 -13.311  -6.639
   87    H    GLY  10           H        GLY  10   4.313 -10.291  -8.434
   88   1HA   GLY  10          2HA       GLY  10   2.749  -9.905 -10.293
   89   2HA   GLY  10          1HA       GLY  10   2.964 -11.596 -10.716
   90    H    LYS  11           H        LYS  11   2.747 -12.774  -8.194
   91    HA   LYS  11           HA       LYS  11   0.245 -13.495  -7.864
   92   1HB   LYS  11          2HB       LYS  11   2.435 -13.793  -6.339
   93   2HB   LYS  11          1HB       LYS  11   1.493 -12.749  -5.283
   94   1HG   LYS  11          2HG       LYS  11  -0.012 -14.992  -6.409
   95   2HG   LYS  11          1HG       LYS  11   1.327 -15.459  -5.358
   96   1HD   LYS  11          2HD       LYS  11  -0.806 -13.461  -4.614
   97   2HD   LYS  11          1HD       LYS  11  -0.837 -15.167  -4.164
   98   1HE   LYS  11          2HE       LYS  11   1.704 -14.199  -3.449
   99   2HE   LYS  11          1HE       LYS  11   0.542 -12.984  -2.916
  100   1HZ   LYS  11          1HZ       LYS  11   1.182 -15.223  -1.554
  101   2HZ   LYS  11          2HZ       LYS  11  -0.248 -15.689  -2.327
  102   3HZ   LYS  11          3HZ       LYS  11  -0.234 -14.325  -1.328
  103    H    THR  12           H        THR  12  -1.539 -12.968  -6.517
  104    HA   THR  12           HA       THR  12  -1.955 -10.065  -6.275
  105    HB   THR  12           HB       THR  12  -4.069 -12.223  -6.368
  106    HG1  THR  12           HG1      THR  12  -2.563 -11.383  -8.340
  107   1HG2  THR  12          1HG2      THR  12  -4.279  -9.232  -6.730
  108   2HG2  THR  12          2HG2      THR  12  -4.730 -10.110  -5.268
  109   3HG2  THR  12          3HG2      THR  12  -5.609 -10.391  -6.771
  110    H    VAL  13           H        VAL  13  -1.954  -9.233  -4.297
  111    HA   VAL  13           HA       VAL  13  -2.342 -11.018  -2.003
  112    HB   VAL  13           HB       VAL  13  -1.442  -8.163  -1.784
  113   1HG1  VAL  13          1HG1      VAL  13  -0.091  -9.362   0.096
  114   2HG1  VAL  13          2HG1      VAL  13  -1.293 -10.634  -0.114
  115   3HG1  VAL  13          3HG1      VAL  13  -1.802  -9.005   0.330
  116   1HG2  VAL  13          1HG2      VAL  13   0.290  -8.654  -3.123
  117   2HG2  VAL  13          2HG2      VAL  13   0.009 -10.392  -3.016
  118   3HG2  VAL  13          3HG2      VAL  13   0.892  -9.561  -1.736
  119    H    THR  14           H        THR  14  -4.079 -10.898  -0.730
  120    HA   THR  14           HA       THR  14  -6.051  -8.799  -1.290
  121    HB   THR  14           HB       THR  14  -6.462 -11.364   0.255
  122    HG1  THR  14           HG1      THR  14  -6.757 -10.736  -2.494
  123   1HG2  THR  14          1HG2      THR  14  -8.025  -9.078   0.122
  124   2HG2  THR  14          2HG2      THR  14  -8.561 -10.683   0.620
  125   3HG2  THR  14          3HG2      THR  14  -8.760 -10.166  -1.055
  126    H    ILE  15           H        ILE  15  -6.296  -7.183   0.094
  127    HA   ILE  15           HA       ILE  15  -5.769  -7.641   2.944
  128    HB   ILE  15           HB       ILE  15  -4.774  -5.210   1.456
  129   1HG1  ILE  15          2HG1      ILE  15  -2.925  -7.163   2.740
  130   2HG1  ILE  15          1HG1      ILE  15  -3.631  -7.605   1.189
  131   1HG2  ILE  15          1HG2      ILE  15  -4.606  -6.098   4.321
  132   2HG2  ILE  15          2HG2      ILE  15  -5.259  -4.592   3.674
  133   3HG2  ILE  15          3HG2      ILE  15  -3.521  -4.886   3.640
  134   1HD1  ILE  15          1HD1      ILE  15  -2.073  -5.089   1.720
  135   2HD1  ILE  15          2HD1      ILE  15  -2.705  -5.628   0.165
  136   3HD1  ILE  15          3HD1      ILE  15  -1.433  -6.548   0.966
  137    H    GLU  16           H        GLU  16  -6.885  -6.234   4.365
  138    HA   GLU  16           HA       GLU  16  -9.277  -5.053   3.156
  139   1HB   GLU  16          2HB       GLU  16 -10.223  -5.136   5.428
  140   2HB   GLU  16          1HB       GLU  16  -9.677  -6.718   4.886
  141   1HG   GLU  16          2HG       GLU  16  -7.755  -6.626   6.268
  142   2HG   GLU  16          1HG       GLU  16  -8.016  -4.920   6.628
  143    H    VAL  17           H        VAL  17  -9.483  -2.928   2.994
  144    HA   VAL  17           HA       VAL  17  -8.129  -1.192   4.927
  145    HB   VAL  17           HB       VAL  17  -7.386   0.330   3.130
  146   1HG1  VAL  17          1HG1      VAL  17  -5.569  -1.208   2.224
  147   2HG1  VAL  17          2HG1      VAL  17  -6.347  -2.488   3.155
  148   3HG1  VAL  17          3HG1      VAL  17  -5.700  -1.068   3.977
  149   1HG2  VAL  17          1HG2      VAL  17  -7.228  -0.791   0.809
  150   2HG2  VAL  17          2HG2      VAL  17  -8.765  -0.079   1.302
  151   3HG2  VAL  17          3HG2      VAL  17  -8.532  -1.825   1.392
  152    H    GLU  18           H        GLU  18  -8.906   1.086   4.768
  153    HA   GLU  18           HA       GLU  18 -11.715   1.176   3.882
  154   1HB   GLU  18          2HB       GLU  18 -10.464   2.424   6.334
  155   2HB   GLU  18          1HB       GLU  18 -12.104   2.746   5.787
  156   1HG   GLU  18          2HG       GLU  18 -12.114   0.039   5.893
  157   2HG   GLU  18          1HG       GLU  18 -11.005   0.431   7.207
  158    HA   PRO  19           HA       PRO  19 -10.909   4.766   1.484
  159   1HB   PRO  19          2HB       PRO  19 -12.971   6.437   2.230
  160   2HB   PRO  19          1HB       PRO  19 -13.128   5.107   1.078
  161   1HG   PRO  19          2HG       PRO  19 -13.822   5.189   3.986
  162   2HG   PRO  19          1HG       PRO  19 -14.711   4.450   2.641
  163   1HD   PRO  19          2HD       PRO  19 -13.231   2.975   4.322
  164   2HD   PRO  19          1HD       PRO  19 -13.336   2.584   2.593
  165    H    SER  20           H        SER  20 -11.532   5.287   4.912
  166    HA   SER  20           HA       SER  20 -10.214   7.869   4.889
  167   1HB   SER  20          2HB       SER  20 -10.572   7.439   7.500
  168   2HB   SER  20          1HB       SER  20 -11.885   7.979   6.455
  169    HG   SER  20           HG       SER  20 -12.794   6.263   7.328
  170    H    ASP  21           H        ASP  21  -8.894   5.094   4.416
  171    HA   ASP  21           HA       ASP  21  -6.921   5.044   6.545
  172   1HB   ASP  21          2HB       ASP  21  -7.437   3.328   4.130
  173   2HB   ASP  21          1HB       ASP  21  -5.941   3.180   5.044
  174    H    THR  22           H        THR  22  -4.689   5.376   6.243
  175    HA   THR  22           HA       THR  22  -4.081   7.237   4.064
  176    HB   THR  22           HB       THR  22  -1.949   7.603   5.483
  177    HG1  THR  22           HG1      THR  22  -2.259   5.805   6.876
  178   1HG2  THR  22          1HG2      THR  22  -3.390   8.993   7.168
  179   2HG2  THR  22          2HG2      THR  22  -4.728   8.487   6.136
  180   3HG2  THR  22          3HG2      THR  22  -3.389   9.409   5.454
  181    H    VAL  23           H        VAL  23  -2.193   7.041   2.813
  182    HA   VAL  23           HA       VAL  23  -1.600   4.517   1.836
  183    HB   VAL  23           HB       VAL  23   0.318   6.846   1.764
  184   1HG1  VAL  23          1HG1      VAL  23   1.186   5.875  -0.201
  185   2HG1  VAL  23          2HG1      VAL  23  -0.163   4.746  -0.333
  186   3HG1  VAL  23          3HG1      VAL  23   1.030   4.549   0.952
  187   1HG2  VAL  23          1HG2      VAL  23  -0.911   7.242  -0.490
  188   2HG2  VAL  23          2HG2      VAL  23  -1.619   7.857   1.004
  189   3HG2  VAL  23          3HG2      VAL  23  -2.235   6.369   0.283
  190    H    GLU  24           H        GLU  24   0.057   6.409   4.323
  191    HA   GLU  24           HA       GLU  24   2.325   4.874   4.695
  192   1HB   GLU  24          2HB       GLU  24   2.145   5.632   7.127
  193   2HB   GLU  24          1HB       GLU  24   2.190   6.894   5.904
  194   1HG   GLU  24          2HG       GLU  24  -0.172   7.234   6.078
  195   2HG   GLU  24          1HG       GLU  24  -0.337   5.844   7.151
  196    H    ASN  25           H        ASN  25  -0.908   4.427   6.070
  197    HA   ASN  25           HA       ASN  25  -0.303   2.208   7.686
  198   1HB   ASN  25          2HB       ASN  25  -2.552   3.742   7.181
  199   2HB   ASN  25          1HB       ASN  25  -2.994   2.160   6.544
  200   1HD2  ASN  25          1HD2      ASN  25  -3.781   3.781   8.969
  201   2HD2  ASN  25          2HD2      ASN  25  -3.630   2.669  10.283
  202    H    PHE  26           H        PHE  26  -1.500   2.444   4.359
  203    HA   PHE  26           HA       PHE  26  -1.880  -0.246   3.813
  204   1HB   PHE  26          2HB       PHE  26  -2.505   1.607   2.289
  205   2HB   PHE  26          1HB       PHE  26  -0.802   1.848   1.912
  206    HD1  PHE  26           HD1      PHE  26  -1.939  -1.551   2.419
  207    HD2  PHE  26           HD2      PHE  26  -1.380   1.532  -0.474
  208    HE1  PHE  26           HE1      PHE  26  -2.107  -3.221   0.612
  209    HE2  PHE  26           HE2      PHE  26  -1.548  -0.131  -2.286
  210    HZ   PHE  26           HZ       PHE  26  -1.912  -2.510  -1.743
  211    H    LYS  27           H        LYS  27   1.084   1.685   3.547
  212    HA   LYS  27           HA       LYS  27   2.717  -0.381   2.530
  213   1HB   LYS  27          2HB       LYS  27   3.178   2.275   3.794
  214   2HB   LYS  27          1HB       LYS  27   4.535   1.158   3.736
  215   1HG   LYS  27          2HG       LYS  27   4.103   0.946   1.262
  216   2HG   LYS  27          1HG       LYS  27   2.985   2.301   1.432
  217   1HD   LYS  27          2HD       LYS  27   5.203   3.240   2.714
  218   2HD   LYS  27          1HD       LYS  27   5.915   2.263   1.428
  219   1HE   LYS  27          2HE       LYS  27   4.335   3.479  -0.152
  220   2HE   LYS  27          1HE       LYS  27   4.035   4.597   1.177
  221   1HZ   LYS  27          1HZ       LYS  27   6.537   4.137  -0.317
  222   2HZ   LYS  27          2HZ       LYS  27   6.571   4.814   1.233
  223   3HZ   LYS  27          3HZ       LYS  27   5.735   5.596  -0.011
  224    H    ALA  28           H        ALA  28   1.807   0.570   5.780
  225    HA   ALA  28           HA       ALA  28   3.728  -0.964   7.176
  226   1HB   ALA  28          1HB       ALA  28   2.414  -0.566   9.126
  227   2HB   ALA  28          2HB       ALA  28   0.981  -0.215   8.159
  228   3HB   ALA  28          3HB       ALA  28   2.352   0.894   8.137
  229    H    LYS  29           H        LYS  29   0.457  -1.664   6.039
  230    HA   LYS  29           HA       LYS  29   0.238  -4.212   7.257
  231   1HB   LYS  29          2HB       LYS  29  -1.168  -3.074   4.834
  232   2HB   LYS  29          1HB       LYS  29  -1.628  -4.560   5.654
  233   1HG   LYS  29          2HG       LYS  29  -2.009  -3.233   7.719
  234   2HG   LYS  29          1HG       LYS  29  -1.698  -1.771   6.780
  235   1HD   LYS  29          2HD       LYS  29  -3.558  -3.108   5.255
  236   2HD   LYS  29          1HD       LYS  29  -4.082  -3.443   6.906
  237   1HE   LYS  29          2HE       LYS  29  -3.490  -0.776   7.018
  238   2HE   LYS  29          1HE       LYS  29  -4.133  -0.945   5.384
  239   1HZ   LYS  29          1HZ       LYS  29  -5.472  -1.574   7.946
  240   2HZ   LYS  29          2HZ       LYS  29  -6.043  -2.168   6.469
  241   3HZ   LYS  29          3HZ       LYS  29  -5.970  -0.500   6.737
  242    H    ILE  30           H        ILE  30   1.451  -3.110   4.143
  243    HA   ILE  30           HA       ILE  30   1.719  -5.659   2.947
  244    HB   ILE  30           HB       ILE  30   3.210  -3.091   2.399
  245   1HG1  ILE  30          2HG1      ILE  30   0.956  -4.372   0.846
  246   2HG1  ILE  30          1HG1      ILE  30   0.708  -3.121   2.062
  247   1HG2  ILE  30          1HG2      ILE  30   3.643  -5.763   1.415
  248   2HG2  ILE  30          2HG2      ILE  30   4.577  -4.294   1.127
  249   3HG2  ILE  30          3HG2      ILE  30   3.193  -4.673   0.103
  250   1HD1  ILE  30          1HD1      ILE  30   1.985  -2.916  -0.624
  251   2HD1  ILE  30          2HD1      ILE  30   2.384  -1.757   0.644
  252   3HD1  ILE  30          3HD1      ILE  30   0.716  -1.926   0.096
  253    H    GLN  31           H        GLN  31   3.835  -3.716   4.979
  254    HA   GLN  31           HA       GLN  31   6.173  -5.261   4.643
  255   1HB   GLN  31          2HB       GLN  31   6.401  -3.064   5.530
  256   2HB   GLN  31          1HB       GLN  31   5.263  -3.395   6.828
  257   1HG   GLN  31          2HG       GLN  31   6.798  -4.698   8.005
  258   2HG   GLN  31          1HG       GLN  31   7.837  -4.905   6.596
  259   1HE2  GLN  31          1HE2      GLN  31   6.596  -2.452   8.817
  260   2HE2  GLN  31          2HE2      GLN  31   8.005  -1.453   8.782
  261    H    ASP  32           H        ASP  32   3.495  -5.451   6.944
  262    HA   ASP  32           HA       ASP  32   4.678  -7.477   8.555
  263   1HB   ASP  32          2HB       ASP  32   2.374  -5.869   8.668
  264   2HB   ASP  32          1HB       ASP  32   1.793  -7.532   8.637
  265    H    LYS  33           H        LYS  33   3.434  -7.554   5.449
  266    HA   LYS  33           HA       LYS  33   2.701 -10.394   5.664
  267   1HB   LYS  33          2HB       LYS  33   1.865  -8.189   3.837
  268   2HB   LYS  33          1HB       LYS  33   1.881  -9.829   3.204
  269   1HG   LYS  33          2HG       LYS  33   0.493 -10.410   5.300
  270   2HG   LYS  33          1HG       LYS  33   0.207  -8.671   5.392
  271   1HD   LYS  33          2HD       LYS  33  -1.443  -8.938   3.922
  272   2HD   LYS  33          1HD       LYS  33  -0.224  -9.356   2.715
  273   1HE   LYS  33          2HE       LYS  33  -0.924 -11.552   4.519
  274   2HE   LYS  33          1HE       LYS  33  -2.269 -10.978   3.535
  275   1HZ   LYS  33          1HZ       LYS  33  -0.694 -12.806   2.632
  276   2HZ   LYS  33          2HZ       LYS  33   0.329 -11.509   2.265
  277   3HZ   LYS  33          3HZ       LYS  33  -1.224 -11.576   1.597
  278    H    GLU  34           H        GLU  34   4.633  -8.102   3.780
  279    HA   GLU  34           HA       GLU  34   6.043 -10.367   2.544
  280   1HB   GLU  34          2HB       GLU  34   5.581  -7.530   1.725
  281   2HB   GLU  34          1HB       GLU  34   7.007  -8.367   1.128
  282   1HG   GLU  34          2HG       GLU  34   4.601  -9.960   0.845
  283   2HG   GLU  34          1HG       GLU  34   4.486  -8.409   0.014
  284    H    GLY  35           H        GLY  35   6.404  -7.825   4.827
  285   1HA   GLY  35          2HA       GLY  35   8.157  -7.297   6.223
  286   2HA   GLY  35          1HA       GLY  35   8.951  -8.760   5.660
  287    H    ILE  36           H        ILE  36   8.047  -5.612   4.245
  288    HA   ILE  36           HA       ILE  36  10.840  -5.317   3.366
  289    HB   ILE  36           HB       ILE  36   8.661  -4.216   1.655
  290   1HG1  ILE  36          2HG1      ILE  36   9.557  -7.104   1.685
  291   2HG1  ILE  36          1HG1      ILE  36   7.922  -6.495   1.924
  292   1HG2  ILE  36          1HG2      ILE  36  10.268  -4.168   0.008
  293   2HG2  ILE  36          2HG2      ILE  36  11.181  -5.503   0.711
  294   3HG2  ILE  36          3HG2      ILE  36  11.244  -3.905   1.455
  295   1HD1  ILE  36          1HD1      ILE  36   7.551  -6.240  -0.282
  296   2HD1  ILE  36          2HD1      ILE  36   8.801  -7.480  -0.394
  297   3HD1  ILE  36          3HD1      ILE  36   9.220  -5.782  -0.623
  298    HA   PRO  37           HA       PRO  37  10.488  -1.569   5.789
  299   1HB   PRO  37          2HB       PRO  37  12.800  -0.887   4.030
  300   2HB   PRO  37          1HB       PRO  37  12.639  -0.738   5.783
  301   1HG   PRO  37          2HG       PRO  37  14.063  -2.718   4.713
  302   2HG   PRO  37          1HG       PRO  37  13.052  -2.993   6.143
  303   1HD   PRO  37          2HD       PRO  37  12.586  -3.790   3.310
  304   2HD   PRO  37          1HD       PRO  37  12.126  -4.621   4.809
  305    HA   PRO  38           HA       PRO  38   7.930   0.811   3.011
  306   1HB   PRO  38          2HB       PRO  38   8.717   2.944   4.947
  307   2HB   PRO  38          1HB       PRO  38   7.115   2.513   4.340
  308   1HG   PRO  38          2HG       PRO  38   7.888   1.793   6.788
  309   2HG   PRO  38          1HG       PRO  38   6.909   0.709   5.781
  310   1HD   PRO  38          2HD       PRO  38   9.801   0.565   6.465
  311   2HD   PRO  38          1HD       PRO  38   8.648  -0.745   6.146
  312    H    ASP  39           H        ASP  39  11.138   1.740   4.071
  313    HA   ASP  39           HA       ASP  39  11.583   3.953   2.438
  314   1HB   ASP  39          2HB       ASP  39  13.275   1.990   3.860
  315   2HB   ASP  39          1HB       ASP  39  14.052   2.843   2.530
  316    H    GLN  40           H        GLN  40  11.165   0.682   1.587
  317    HA   GLN  40           HA       GLN  40  12.142   1.255  -1.134
  318   1HB   GLN  40          2HB       GLN  40  12.022  -1.572  -0.257
  319   2HB   GLN  40          1HB       GLN  40  13.179  -0.766  -1.308
  320   1HG   GLN  40          2HG       GLN  40  14.338   0.157   0.563
  321   2HG   GLN  40          1HG       GLN  40  13.099  -0.416   1.677
  322   1HE2  GLN  40          1HE2      GLN  40  14.695  -2.045  -1.026
  323   2HE2  GLN  40          2HE2      GLN  40  15.356  -3.336  -0.088
  324    H    GLN  41           H        GLN  41   9.428   1.184   0.451
  325    HA   GLN  41           HA       GLN  41   7.964  -0.618  -1.336
  326   1HB   GLN  41          2HB       GLN  41   7.258   0.763   1.242
  327   2HB   GLN  41          1HB       GLN  41   6.019   0.055   0.216
  328   1HG   GLN  41          2HG       GLN  41   7.524  -2.070   0.353
  329   2HG   GLN  41          1HG       GLN  41   8.166  -1.279   1.792
  330   1HE2  GLN  41          1HE2      GLN  41   7.110  -1.533   3.637
  331   2HE2  GLN  41          2HE2      GLN  41   5.513  -2.169   3.803
  332    H    ARG  42           H        ARG  42   7.483   0.314  -3.223
  333    HA   ARG  42           HA       ARG  42   6.469   3.080  -3.202
  334   1HB   ARG  42          2HB       ARG  42   8.474   1.866  -4.774
  335   2HB   ARG  42          1HB       ARG  42   7.102   2.123  -5.843
  336   1HG   ARG  42          2HG       ARG  42   7.147   4.518  -4.701
  337   2HG   ARG  42          1HG       ARG  42   8.847   4.091  -4.481
  338   1HD   ARG  42          2HD       ARG  42   8.414   3.361  -7.073
  339   2HD   ARG  42          1HD       ARG  42   7.373   4.776  -6.920
  340    HE   ARG  42           HE       ARG  42   9.619   5.723  -5.892
  341   1HH1  ARG  42          2HH1      ARG  42   9.122   3.784  -8.744
  342   2HH1  ARG  42          1HH1      ARG  42  10.497   4.428  -9.577
  343   1HH2  ARG  42          1HH2      ARG  42  11.430   6.578  -6.984
  344   2HH2  ARG  42          2HH2      ARG  42  11.808   6.015  -8.579
  345    H    LEU  43           H        LEU  43   4.353   3.296  -3.510
  346    HA   LEU  43           HA       LEU  43   2.867   1.083  -4.727
  347   1HB   LEU  43          2HB       LEU  43   1.640   3.468  -3.378
  348   2HB   LEU  43          1HB       LEU  43   0.948   1.877  -3.626
  349    HG   LEU  43           HG       LEU  43   2.993   2.726  -1.600
  350   1HD1  LEU  43          1HD1      LEU  43   1.263   2.639  -0.221
  351   2HD1  LEU  43          2HD1      LEU  43   0.982   0.952  -0.653
  352   3HD1  LEU  43          3HD1      LEU  43   0.208   2.240  -1.576
  353   1HD2  LEU  43          1HD2      LEU  43   2.535   0.023  -2.769
  354   2HD2  LEU  43          2HD2      LEU  43   2.908   0.169  -1.051
  355   3HD2  LEU  43          3HD2      LEU  43   4.038   0.788  -2.255
  356    H    ILE  44           H        ILE  44   2.864   1.323  -6.889
  357    HA   ILE  44           HA       ILE  44   2.342   3.972  -8.030
  358    HB   ILE  44           HB       ILE  44   3.122   1.440  -9.476
  359   1HG1  ILE  44          2HG1      ILE  44   4.834   2.253  -7.827
  360   2HG1  ILE  44          1HG1      ILE  44   5.382   2.251  -9.500
  361   1HG2  ILE  44          1HG2      ILE  44   1.967   3.126 -10.841
  362   2HG2  ILE  44          2HG2      ILE  44   3.648   2.911 -11.329
  363   3HG2  ILE  44          3HG2      ILE  44   3.179   4.317 -10.373
  364   1HD1  ILE  44          1HD1      ILE  44   5.116   4.616  -9.658
  365   2HD1  ILE  44          2HD1      ILE  44   6.051   4.253  -8.206
  366   3HD1  ILE  44          3HD1      ILE  44   4.345   4.682  -8.073
  367    H    PHE  45           H        PHE  45   0.259   4.433  -8.304
  368    HA   PHE  45           HA       PHE  45  -1.464   2.398  -9.538
  369   1HB   PHE  45          2HB       PHE  45  -2.080   2.416  -7.206
  370   2HB   PHE  45          1HB       PHE  45  -2.168   4.174  -7.196
  371    HD1  PHE  45           HD1      PHE  45  -4.336   4.857  -6.883
  372    HD2  PHE  45           HD2      PHE  45  -3.557   1.561  -9.473
  373    HE1  PHE  45           HE1      PHE  45  -6.733   4.740  -7.448
  374    HE2  PHE  45           HE2      PHE  45  -5.952   1.438 -10.044
  375    HZ   PHE  45           HZ       PHE  45  -7.542   3.029  -9.031
  376    H    ALA  46           H        ALA  46  -2.591   3.109 -11.245
  377    HA   ALA  46           HA       ALA  46  -3.224   4.487 -12.950
  378   1HB   ALA  46          1HB       ALA  46  -3.973   6.808 -11.463
  379   2HB   ALA  46          2HB       ALA  46  -4.432   5.365 -10.559
  380   3HB   ALA  46          3HB       ALA  46  -5.003   5.588 -12.214
  381    H    GLY  47           H        GLY  47  -0.496   4.573 -12.540
  382   1HA   GLY  47          2HA       GLY  47   1.359   5.810 -13.085
  383   2HA   GLY  47          1HA       GLY  47   0.250   6.896 -13.906
  384    H    LYS  48           H        LYS  48   0.131   6.225 -10.466
  385    HA   LYS  48           HA       LYS  48   1.362   8.818  -9.886
  386   1HB   LYS  48          2HB       LYS  48  -1.371   7.947  -8.936
  387   2HB   LYS  48          1HB       LYS  48  -0.491   9.320  -8.278
  388   1HG   LYS  48          2HG       LYS  48  -0.425  10.167 -10.708
  389   2HG   LYS  48          1HG       LYS  48  -1.711   8.990 -10.989
  390   1HD   LYS  48          2HD       LYS  48  -3.164  10.062  -9.482
  391   2HD   LYS  48          1HD       LYS  48  -1.857  11.006  -8.764
  392   1HE   LYS  48          2HE       LYS  48  -1.590  12.086 -11.049
  393   2HE   LYS  48          1HE       LYS  48  -3.132  11.338 -11.468
  394   1HZ   LYS  48          1HZ       LYS  48  -2.573  13.494  -9.554
  395   2HZ   LYS  48          2HZ       LYS  48  -3.901  12.484  -9.280
  396   3HZ   LYS  48          3HZ       LYS  48  -3.801  13.376 -10.713
  397    H    GLN  49           H        GLN  49   2.621   8.807  -8.117
  398    HA   GLN  49           HA       GLN  49   2.926   6.303  -6.684
  399   1HB   GLN  49          2HB       GLN  49   4.668   8.340  -7.476
  400   2HB   GLN  49          1HB       GLN  49   4.587   8.477  -5.725
  401   1HG   GLN  49          2HG       GLN  49   5.125   6.052  -5.578
  402   2HG   GLN  49          1HG       GLN  49   5.369   6.055  -7.323
  403   1HE2  GLN  49          1HE2      GLN  49   6.518   7.360  -4.279
  404   2HE2  GLN  49          2HE2      GLN  49   8.112   7.742  -4.827
  405    H    LEU  50           H        LEU  50   1.230   6.093  -5.270
  406    HA   LEU  50           HA       LEU  50  -0.104   7.947  -3.805
  407   1HB   LEU  50          2HB       LEU  50   0.795   5.249  -2.790
  408   2HB   LEU  50          1HB       LEU  50  -0.515   6.205  -2.123
  409    HG   LEU  50           HG       LEU  50  -0.424   4.831  -4.801
  410   1HD1  LEU  50          1HD1      LEU  50  -2.456   3.737  -3.937
  411   2HD1  LEU  50          2HD1      LEU  50  -2.233   4.580  -2.404
  412   3HD1  LEU  50          3HD1      LEU  50  -1.035   3.406  -2.948
  413   1HD2  LEU  50          1HD2      LEU  50  -2.139   7.063  -3.833
  414   2HD2  LEU  50          2HD2      LEU  50  -2.862   5.805  -4.836
  415   3HD2  LEU  50          3HD2      LEU  50  -1.501   6.746  -5.446
  416    H    GLU  51           H        GLU  51   0.276   9.275  -2.130
  417    HA   GLU  51           HA       GLU  51   2.973   9.261  -0.987
  418   1HB   GLU  51          2HB       GLU  51   0.868  11.360  -1.340
  419   2HB   GLU  51          1HB       GLU  51   2.089  11.563  -0.089
  420   1HG   GLU  51          2HG       GLU  51   2.450  11.428  -3.058
  421   2HG   GLU  51          1HG       GLU  51   2.930  12.705  -1.940
  422    H    ASP  52           H        ASP  52   3.337   9.370   1.240
  423    HA   ASP  52           HA       ASP  52   1.485   7.898   2.830
  424   1HB   ASP  52          2HB       ASP  52   4.000   9.356   3.660
  425   2HB   ASP  52          1HB       ASP  52   3.133   8.168   4.627
  426    H    GLY  53           H        GLY  53   1.291  11.013   1.909
  427   1HA   GLY  53          2HA       GLY  53   0.350  11.990   4.516
  428   2HA   GLY  53          1HA       GLY  53   0.743  12.998   3.131
  429    H    ARG  54           H        ARG  54  -0.818  10.658   1.656
  430    HA   ARG  54           HA       ARG  54  -3.450  11.930   2.031
  431   1HB   ARG  54          2HB       ARG  54  -2.408  10.492  -0.414
  432   2HB   ARG  54          1HB       ARG  54  -3.946  11.332  -0.275
  433   1HG   ARG  54          2HG       ARG  54  -2.404  13.373   0.327
  434   2HG   ARG  54          1HG       ARG  54  -1.200  12.432  -0.556
  435   1HD   ARG  54          2HD       ARG  54  -2.646  12.349  -2.498
  436   2HD   ARG  54          1HD       ARG  54  -3.914  13.203  -1.619
  437    HE   ARG  54           HE       ARG  54  -1.401  14.612  -1.796
  438   1HH1  ARG  54          2HH1      ARG  54  -4.505  14.029  -3.260
  439   2HH1  ARG  54          1HH1      ARG  54  -4.516  15.521  -4.138
  440   1HH2  ARG  54          1HH2      ARG  54  -1.404  16.581  -2.946
  441   2HH2  ARG  54          2HH2      ARG  54  -2.753  16.972  -3.961
  442    H    THR  55           H        THR  55  -5.178  10.277   0.953
  443    HA   THR  55           HA       THR  55  -4.804   7.708   2.351
  444    HB   THR  55           HB       THR  55  -7.337   7.710   2.581
  445    HG1  THR  55           HG1      THR  55  -7.918   9.365   1.205
  446   1HG2  THR  55          1HG2      THR  55  -7.197   8.627   4.678
  447   2HG2  THR  55          2HG2      THR  55  -6.267  10.019   4.125
  448   3HG2  THR  55          3HG2      THR  55  -5.480   8.452   4.315
  449    H    LEU  56           H        LEU  56  -6.734   6.173   1.511
  450    HA   LEU  56           HA       LEU  56  -6.089   5.653  -1.225
  451   1HB   LEU  56          2HB       LEU  56  -8.238   4.364   0.456
  452   2HB   LEU  56          1HB       LEU  56  -7.521   3.719  -1.008
  453    HG   LEU  56           HG       LEU  56  -5.803   4.258   1.386
  454   1HD1  LEU  56          1HD1      LEU  56  -6.493   2.465   2.540
  455   2HD1  LEU  56          2HD1      LEU  56  -6.791   1.515   1.083
  456   3HD1  LEU  56          3HD1      LEU  56  -7.995   2.679   1.640
  457   1HD2  LEU  56          1HD2      LEU  56  -4.943   3.677  -0.950
  458   2HD2  LEU  56          2HD2      LEU  56  -5.582   2.062  -0.644
  459   3HD2  LEU  56          3HD2      LEU  56  -4.333   2.729   0.406
  460    H    SER  57           H        SER  57  -8.950   6.836   0.483
  461    HA   SER  57           HA       SER  57 -10.686   6.897  -1.733
  462   1HB   SER  57          2HB       SER  57 -11.993   8.540  -0.361
  463   2HB   SER  57          1HB       SER  57 -11.586   7.057   0.501
  464    HG   SER  57           HG       SER  57 -10.523   9.644   0.803
  465    H    ASP  58           H        ASP  58  -8.191   9.065  -0.645
  466    HA   ASP  58           HA       ASP  58  -8.952  11.392  -2.010
  467   1HB   ASP  58          2HB       ASP  58  -6.180  10.392  -1.325
  468   2HB   ASP  58          1HB       ASP  58  -6.562  12.032  -1.843
  469    H    TYR  59           H        TYR  59  -7.460   8.454  -3.120
  470    HA   TYR  59           HA       TYR  59  -6.925   9.649  -5.744
  471   1HB   TYR  59          2HB       TYR  59  -6.126   6.957  -4.618
  472   2HB   TYR  59          1HB       TYR  59  -5.695   7.555  -6.217
  473    HD1  TYR  59           HD1      TYR  59  -4.053   9.357  -6.474
  474    HD2  TYR  59           HD2      TYR  59  -5.026   7.786  -2.633
  475    HE1  TYR  59           HE1      TYR  59  -2.041  10.423  -5.534
  476    HE2  TYR  59           HE2      TYR  59  -3.018   8.848  -1.682
  477    HH   TYR  59           HH       TYR  59  -1.446  10.530  -2.107
  478    H    ASN  60           H        ASN  60  -9.555   8.629  -4.413
  479    HA   ASN  60           HA       ASN  60 -11.516   7.744  -5.148
  480   1HB   ASN  60          2HB       ASN  60 -10.515   7.359  -7.923
  481   2HB   ASN  60          1HB       ASN  60 -12.043   8.027  -7.362
  482   1HD2  ASN  60          1HD2      ASN  60 -10.523   9.172  -9.388
  483   2HD2  ASN  60          2HD2      ASN  60  -9.944  10.706  -8.847
  484    H    ILE  61           H        ILE  61  -9.751   5.985  -3.982
  485    HA   ILE  61           HA       ILE  61  -9.536   3.608  -5.620
  486    HB   ILE  61           HB       ILE  61  -8.905   4.095  -2.709
  487   1HG1  ILE  61          2HG1      ILE  61  -7.176   3.770  -5.170
  488   2HG1  ILE  61          1HG1      ILE  61  -7.371   5.227  -4.201
  489   1HG2  ILE  61          1HG2      ILE  61  -7.676   1.743  -3.790
  490   2HG2  ILE  61          2HG2      ILE  61  -9.428   1.645  -3.967
  491   3HG2  ILE  61          3HG2      ILE  61  -8.717   1.911  -2.376
  492   1HD1  ILE  61          1HD1      ILE  61  -5.725   4.613  -2.863
  493   2HD1  ILE  61          2HD1      ILE  61  -5.427   3.243  -3.933
  494   3HD1  ILE  61          3HD1      ILE  61  -6.499   3.062  -2.544
  495    H    GLN  62           H        GLN  62 -10.931   1.945  -5.682
  496    HA   GLN  62           HA       GLN  62 -13.314   2.113  -3.987
  497   1HB   GLN  62          2HB       GLN  62 -12.930   0.277  -6.344
  498   2HB   GLN  62          1HB       GLN  62 -14.439   0.803  -5.610
  499   1HG   GLN  62          2HG       GLN  62 -12.705   2.923  -6.708
  500   2HG   GLN  62          1HG       GLN  62 -13.452   1.830  -7.873
  501   1HE2  GLN  62          1HE2      GLN  62 -14.105   4.056  -5.234
  502   2HE2  GLN  62          2HE2      GLN  62 -15.718   4.446  -5.713
  503    H    LYS  63           H        LYS  63 -14.294  -0.230  -3.630
  504    HA   LYS  63           HA       LYS  63 -12.513  -1.531  -1.837
  505   1HB   LYS  63          2HB       LYS  63 -14.394  -3.128  -1.526
  506   2HB   LYS  63          1HB       LYS  63 -14.860  -1.445  -1.316
  507   1HG   LYS  63          2HG       LYS  63 -15.596  -1.553  -3.772
  508   2HG   LYS  63          1HG       LYS  63 -15.495  -3.304  -3.576
  509   1HD   LYS  63          2HD       LYS  63 -16.929  -1.987  -1.407
  510   2HD   LYS  63          1HD       LYS  63 -17.679  -1.739  -2.985
  511   1HE   LYS  63          2HE       LYS  63 -18.664  -3.702  -2.197
  512   2HE   LYS  63          1HE       LYS  63 -17.407  -4.268  -3.295
  513   1HZ   LYS  63          1HZ       LYS  63 -16.489  -5.396  -1.645
  514   2HZ   LYS  63          2HZ       LYS  63 -17.747  -4.925  -0.617
  515   3HZ   LYS  63          3HZ       LYS  63 -16.336  -3.997  -0.705
  516    H    GLU  64           H        GLU  64 -12.591  -1.692  -5.120
  517    HA   GLU  64           HA       GLU  64 -11.498  -4.419  -5.085
  518   1HB   GLU  64          2HB       GLU  64 -13.523  -3.245  -6.964
  519   2HB   GLU  64          1HB       GLU  64 -12.460  -4.540  -7.496
  520   1HG   GLU  64          2HG       GLU  64 -13.376  -6.072  -6.005
  521   2HG   GLU  64          1HG       GLU  64 -14.089  -4.811  -5.001
  522    H    SER  65           H        SER  65 -10.409  -1.579  -5.117
  523    HA   SER  65           HA       SER  65  -9.156  -1.283  -7.682
  524   1HB   SER  65          2HB       SER  65  -8.472   0.076  -5.063
  525   2HB   SER  65          1HB       SER  65  -7.976   0.595  -6.674
  526    HG   SER  65           HG       SER  65 -10.309   0.744  -7.112
  527    H    THR  66           H        THR  66  -6.956  -1.539  -8.180
  528    HA   THR  66           HA       THR  66  -5.473  -3.298  -6.336
  529    HB   THR  66           HB       THR  66  -5.562  -3.404  -9.355
  530    HG1  THR  66           HG1      THR  66  -6.235  -5.624  -8.781
  531   1HG2  THR  66          1HG2      THR  66  -3.435  -4.112  -9.198
  532   2HG2  THR  66          2HG2      THR  66  -4.130  -5.589  -8.529
  533   3HG2  THR  66          3HG2      THR  66  -3.538  -4.324  -7.451
  534    H    ILE  67           H        ILE  67  -3.259  -2.997  -6.155
  535    HA   ILE  67           HA       ILE  67  -2.129  -0.654  -7.531
  536    HB   ILE  67           HB       ILE  67  -1.796  -1.295  -4.598
  537   1HG1  ILE  67          2HG1      ILE  67  -2.709   1.327  -4.936
  538   2HG1  ILE  67          1HG1      ILE  67  -3.661   0.372  -6.069
  539   1HG2  ILE  67          1HG2      ILE  67   0.272  -0.452  -5.489
  540   2HG2  ILE  67          2HG2      ILE  67  -0.498   0.815  -4.535
  541   3HG2  ILE  67          3HG2      ILE  67  -0.569   0.871  -6.296
  542   1HD1  ILE  67          1HD1      ILE  67  -3.353  -0.343  -3.170
  543   2HD1  ILE  67          2HD1      ILE  67  -4.496  -1.005  -4.336
  544   3HD1  ILE  67          3HD1      ILE  67  -4.657   0.665  -3.795
  545    H    HIS  68           H        HIS  68   0.144  -0.675  -7.816
  546    HA   HIS  68           HA       HIS  68   1.273  -3.382  -7.785
  547   1HB   HIS  68          2HB       HIS  68   2.276  -0.952  -9.279
  548   2HB   HIS  68          1HB       HIS  68   2.811  -2.617  -9.488
  549    HD1  HIS  68           HD1      HIS  68   2.134  -2.285 -12.037
  550    HD2  HIS  68           HD2      HIS  68  -1.009  -2.226  -9.321
  551    HE1  HIS  68           HE1      HIS  68   0.053  -2.605 -13.411
  552    HE2  HIS  68           HE2      HIS  68  -1.843  -2.471 -11.757
  553    H    LEU  69           H        LEU  69   3.181  -3.866  -6.789
  554    HA   LEU  69           HA       LEU  69   4.185  -1.847  -4.915
  555   1HB   LEU  69          2HB       LEU  69   3.490  -3.918  -3.891
  556   2HB   LEU  69          1HB       LEU  69   4.491  -4.847  -4.991
  557    HG   LEU  69           HG       LEU  69   6.470  -3.551  -3.941
  558   1HD1  LEU  69          1HD1      LEU  69   5.502  -1.878  -2.670
  559   2HD1  LEU  69          2HD1      LEU  69   5.879  -3.107  -1.462
  560   3HD1  LEU  69          3HD1      LEU  69   4.228  -2.935  -2.061
  561   1HD2  LEU  69          1HD2      LEU  69   5.836  -5.200  -1.777
  562   2HD2  LEU  69          2HD2      LEU  69   6.784  -5.622  -3.203
  563   3HD2  LEU  69          3HD2      LEU  69   5.047  -5.932  -3.174
  564    H    VAL  70           H        VAL  70   6.311  -1.224  -4.849
  565    HA   VAL  70           HA       VAL  70   8.138  -2.380  -6.837
  566    HB   VAL  70           HB       VAL  70   8.243   0.566  -6.421
  567   1HG1  VAL  70          1HG1      VAL  70   8.476  -0.426  -9.121
  568   2HG1  VAL  70          2HG1      VAL  70   9.549  -1.297  -8.025
  569   3HG1  VAL  70          3HG1      VAL  70   9.646   0.461  -8.142
  570   1HG2  VAL  70          1HG2      VAL  70   5.976   0.545  -6.879
  571   2HG2  VAL  70          2HG2      VAL  70   6.094  -0.872  -7.921
  572   3HG2  VAL  70          3HG2      VAL  70   6.679   0.691  -8.490
  573    H    LEU  71           H        LEU  71  10.272  -2.437  -6.257
  574    HA   LEU  71           HA       LEU  71  10.826  -2.081  -3.445
  575   1HB   LEU  71          2HB       LEU  71  11.820  -3.705  -5.551
  576   2HB   LEU  71          1HB       LEU  71  13.163  -2.759  -4.938
  577    HG   LEU  71           HG       LEU  71  12.627  -3.579  -2.646
  578   1HD1  LEU  71          1HD1      LEU  71  10.689  -5.342  -4.132
  579   2HD1  LEU  71          2HD1      LEU  71  10.290  -4.106  -2.939
  580   3HD1  LEU  71          3HD1      LEU  71  11.171  -5.553  -2.449
  581   1HD2  LEU  71          1HD2      LEU  71  13.777  -5.588  -2.899
  582   2HD2  LEU  71          2HD2      LEU  71  14.272  -4.644  -4.304
  583   3HD2  LEU  71          3HD2      LEU  71  13.056  -5.912  -4.476
  584    H    ARG  72           H        ARG  72  11.782  -0.621  -6.503
  585    HA   ARG  72           HA       ARG  72  12.761   1.371  -6.989
  586   1HB   ARG  72          2HB       ARG  72  11.293   2.457  -5.456
  587   2HB   ARG  72          1HB       ARG  72  12.190   1.860  -4.068
  588   1HG   ARG  72          2HG       ARG  72  13.917   3.373  -4.368
  589   2HG   ARG  72          1HG       ARG  72  13.508   3.654  -6.061
  590   1HD   ARG  72          2HD       ARG  72  12.935   5.506  -4.412
  591   2HD   ARG  72          1HD       ARG  72  11.654   4.983  -5.506
  592    HE   ARG  72           HE       ARG  72  11.457   3.504  -3.138
  593   1HH1  ARG  72          2HH1      ARG  72  11.062   6.775  -4.267
  594   2HH1  ARG  72          1HH1      ARG  72   9.877   7.181  -3.073
  595   1HH2  ARG  72          1HH2      ARG  72   9.897   4.030  -1.560
  596   2HH2  ARG  72          2HH2      ARG  72   9.215   5.621  -1.533
  597    H    LEU  73           H        LEU  73  14.816   2.344  -6.996
  598    HA   LEU  73           HA       LEU  73  16.857   0.767  -5.589
  599   1HB   LEU  73          2HB       LEU  73  16.901   2.355  -8.141
  600   2HB   LEU  73          1HB       LEU  73  18.383   1.873  -7.337
  601    HG   LEU  73           HG       LEU  73  16.631  -0.398  -7.657
  602   1HD1  LEU  73          1HD1      LEU  73  15.934   1.137  -9.604
  603   2HD1  LEU  73          2HD1      LEU  73  16.371  -0.534  -9.962
  604   3HD1  LEU  73          3HD1      LEU  73  17.524   0.764 -10.268
  605   1HD2  LEU  73          1HD2      LEU  73  19.401   0.354  -8.542
  606   2HD2  LEU  73          2HD2      LEU  73  18.670  -1.202  -8.937
  607   3HD2  LEU  73          3HD2      LEU  73  18.921  -0.747  -7.251
  608    H    ARG  74           H        ARG  74  18.922   2.040  -5.129
  609    HA   ARG  74           HA       ARG  74  18.171   4.604  -3.893
  610   1HB   ARG  74          2HB       ARG  74  18.836   2.777  -2.335
  611   2HB   ARG  74          1HB       ARG  74  20.419   2.744  -3.101
  612   1HG   ARG  74          2HG       ARG  74  20.486   5.264  -2.482
  613   2HG   ARG  74          1HG       ARG  74  19.214   4.830  -1.337
  614   1HD   ARG  74          2HD       ARG  74  20.634   3.245  -0.252
  615   2HD   ARG  74          1HD       ARG  74  21.865   3.410  -1.502
  616    HE   ARG  74           HE       ARG  74  21.225   5.830  -0.044
  617   1HH1  ARG  74          2HH1      ARG  74  23.295   3.046  -0.331
  618   2HH1  ARG  74          1HH1      ARG  74  24.590   3.753   0.577
  619   1HH2  ARG  74          1HH2      ARG  74  22.922   6.772   1.153
  620   2HH2  ARG  74          2HH2      ARG  74  24.378   5.870   1.422
  621    H    GLY  75           H        GLY  75  20.731   2.915  -5.660
  622   1HA   GLY  75          2HA       GLY  75  22.508   5.099  -5.855
  623   2HA   GLY  75          1HA       GLY  75  22.486   3.697  -6.916
  624    H    GLY  76           HN       GLY  76  22.382   6.923  -6.972
  625   1HA   GLY  76          2HA       GLY  76  21.849   8.426  -8.628
  626   2HA   GLY  76          1HA       GLY  76  21.447   7.053  -9.647
  Start of MODEL    8
    1   2H    MET   1          2H        MET   1 -13.045  -3.694   3.194
    2   3H    MET   1          3H        MET   1 -14.444  -4.110   2.339
    3   1H    MET   1          1H        MET   1 -14.205  -2.514   2.848
    4    HA   MET   1           HA       MET   1 -13.736  -3.233   0.398
    5   1HB   MET   1          2HB       MET   1 -13.448  -0.980   0.928
    6   2HB   MET   1          1HB       MET   1 -12.250  -1.321   2.167
    7   1HG   MET   1          2HG       MET   1 -10.646  -1.949   0.412
    8   2HG   MET   1          1HG       MET   1 -11.846  -1.527  -0.808
    9   1HE   MET   1          1HE       MET   1 -11.184   1.372  -1.923
   10   2HE   MET   1          2HE       MET   1 -12.389   1.984  -0.789
   11   3HE   MET   1          3HE       MET   1 -12.571   0.374  -1.487
   12    H    GLN   2           H        GLN   2 -12.875  -5.142  -0.225
   13    HA   GLN   2           HA       GLN   2 -10.207  -5.870   0.737
   14   1HB   GLN   2          2HB       GLN   2 -12.445  -7.375  -0.561
   15   2HB   GLN   2          1HB       GLN   2 -10.806  -8.001  -0.676
   16   1HG   GLN   2          2HG       GLN   2 -11.597  -7.221   2.028
   17   2HG   GLN   2          1HG       GLN   2 -12.560  -8.527   1.338
   18   1HE2  GLN   2          1HE2      GLN   2  -9.236  -7.494   1.921
   19   2HE2  GLN   2          2HE2      GLN   2  -8.587  -9.084   2.116
   20    H    VAL   3           H        VAL   3  -8.627  -4.975  -0.395
   21    HA   VAL   3           HA       VAL   3  -8.895  -4.729  -3.310
   22    HB   VAL   3           HB       VAL   3  -7.029  -3.169  -3.223
   23   1HG1  VAL   3          1HG1      VAL   3  -9.365  -2.704  -1.416
   24   2HG1  VAL   3          2HG1      VAL   3  -9.024  -2.019  -3.006
   25   3HG1  VAL   3          3HG1      VAL   3  -8.121  -1.466  -1.595
   26   1HG2  VAL   3          1HG2      VAL   3  -7.040  -3.579  -0.235
   27   2HG2  VAL   3          2HG2      VAL   3  -5.990  -2.499  -1.151
   28   3HG2  VAL   3          3HG2      VAL   3  -5.838  -4.245  -1.339
   29    H    PHE   4           H        PHE   4  -6.947  -5.162  -4.617
   30    HA   PHE   4           HA       PHE   4  -5.447  -7.457  -3.536
   31   1HB   PHE   4          2HB       PHE   4  -5.939  -6.944  -6.465
   32   2HB   PHE   4          1HB       PHE   4  -5.422  -8.438  -5.692
   33    HD1  PHE   4           HD1      PHE   4  -8.221  -6.425  -6.735
   34    HD2  PHE   4           HD2      PHE   4  -7.050  -9.719  -4.293
   35    HE1  PHE   4           HE1      PHE   4 -10.568  -7.174  -6.626
   36    HE2  PHE   4           HE2      PHE   4  -9.394 -10.474  -4.180
   37    HZ   PHE   4           HZ       PHE   4 -11.156  -9.201  -5.347
   38    H    LEU   5           H        LEU   5  -3.260  -7.466  -3.669
   39    HA   LEU   5           HA       LEU   5  -2.001  -5.088  -4.865
   40   1HB   LEU   5          2HB       LEU   5  -1.908  -5.677  -2.288
   41   2HB   LEU   5          1HB       LEU   5  -0.616  -6.742  -2.807
   42    HG   LEU   5           HG       LEU   5   0.111  -4.411  -4.019
   43   1HD1  LEU   5          1HD1      LEU   5  -1.334  -2.876  -3.142
   44   2HD1  LEU   5          2HD1      LEU   5  -0.062  -2.830  -1.921
   45   3HD1  LEU   5          3HD1      LEU   5  -1.531  -3.760  -1.628
   46   1HD2  LEU   5          1HD2      LEU   5   0.946  -4.860  -1.196
   47   2HD2  LEU   5          2HD2      LEU   5   1.921  -4.478  -2.615
   48   3HD2  LEU   5          3HD2      LEU   5   1.285  -6.108  -2.395
   49    H    LYS   6           H        LYS   6  -0.560  -5.366  -6.449
   50    HA   LYS   6           HA       LYS   6   0.184  -8.113  -7.158
   51   1HB   LYS   6          2HB       LYS   6  -0.626  -5.833  -8.672
   52   2HB   LYS   6          1HB       LYS   6   1.014  -6.253  -9.147
   53   1HG   LYS   6          2HG       LYS   6   0.395  -8.339  -9.933
   54   2HG   LYS   6          1HG       LYS   6  -1.089  -8.368  -8.979
   55   1HD   LYS   6          2HD       LYS   6  -2.266  -7.307 -10.564
   56   2HD   LYS   6          1HD       LYS   6  -0.965  -6.159 -10.888
   57   1HE   LYS   6          2HE       LYS   6   0.046  -8.506 -11.881
   58   2HE   LYS   6          1HE       LYS   6  -1.670  -8.642 -12.260
   59   1HZ   LYS   6          1HZ       LYS   6  -0.108  -7.487 -13.925
   60   2HZ   LYS   6          2HZ       LYS   6  -0.206  -6.161 -12.880
   61   3HZ   LYS   6          3HZ       LYS   6  -1.609  -6.778 -13.597
   62    H    THR   7           H        THR   7   2.286  -8.759  -7.378
   63    HA   THR   7           HA       THR   7   4.304  -6.912  -6.301
   64    HB   THR   7           HB       THR   7   5.552  -8.768  -5.549
   65    HG1  THR   7           HG1      THR   7   5.301 -10.803  -6.327
   66   1HG2  THR   7          1HG2      THR   7   4.055  -8.852  -3.883
   67   2HG2  THR   7          2HG2      THR   7   3.423 -10.289  -4.686
   68   3HG2  THR   7          3HG2      THR   7   2.689  -8.714  -4.989
   69    H    LEU   8           H        LEU   8   6.623  -7.889  -7.108
   70    HA   LEU   8           HA       LEU   8   6.683  -7.210  -9.908
   71   1HB   LEU   8          2HB       LEU   8   9.045  -8.192  -8.344
   72   2HB   LEU   8          1HB       LEU   8   9.009  -7.070  -9.690
   73    HG   LEU   8           HG       LEU   8   7.784  -6.367  -7.037
   74   1HD1  LEU   8          1HD1      LEU   8  10.487  -6.932  -7.413
   75   2HD1  LEU   8          2HD1      LEU   8   9.756  -6.049  -6.072
   76   3HD1  LEU   8          3HD1      LEU   8  10.366  -5.173  -7.477
   77   1HD2  LEU   8          1HD2      LEU   8   7.668  -5.133  -9.461
   78   2HD2  LEU   8          2HD2      LEU   8   9.059  -4.339  -8.724
   79   3HD2  LEU   8          3HD2      LEU   8   7.497  -4.319  -7.905
   80    H    THR   9           H        THR   9   6.163 -10.044  -8.246
   81    HA   THR   9           HA       THR   9   7.437 -11.723 -10.286
   82    HB   THR   9           HB       THR   9   6.629 -13.604  -8.703
   83    HG1  THR   9           HG1      THR   9   6.759 -12.359  -6.456
   84   1HG2  THR   9          1HG2      THR   9   8.989 -12.384  -8.975
   85   2HG2  THR   9          2HG2      THR   9   8.707 -13.640  -7.770
   86   3HG2  THR   9          3HG2      THR   9   8.648 -11.940  -7.303
   87    H    GLY  10           H        GLY  10   4.358 -10.611  -9.168
   88   1HA   GLY  10          2HA       GLY  10   2.640 -10.776 -11.003
   89   2HA   GLY  10          1HA       GLY  10   3.020 -12.491 -11.013
   90    H    LYS  11           H        LYS  11   3.050 -13.242  -8.459
   91    HA   LYS  11           HA       LYS  11   0.625 -13.890  -7.682
   92   1HB   LYS  11          2HB       LYS  11   3.102 -13.736  -6.395
   93   2HB   LYS  11          1HB       LYS  11   1.971 -12.944  -5.305
   94   1HG   LYS  11          2HG       LYS  11   0.532 -14.932  -5.377
   95   2HG   LYS  11          1HG       LYS  11   1.707 -15.725  -6.430
   96   1HD   LYS  11          2HD       LYS  11   2.310 -16.547  -4.361
   97   2HD   LYS  11          1HD       LYS  11   3.385 -15.155  -4.515
   98   1HE   LYS  11          2HE       LYS  11   2.548 -14.907  -2.371
   99   2HE   LYS  11          1HE       LYS  11   1.487 -13.865  -3.318
  100   1HZ   LYS  11          1HZ       LYS  11  -0.268 -15.106  -2.806
  101   2HZ   LYS  11          2HZ       LYS  11   0.695 -15.859  -1.638
  102   3HZ   LYS  11          3HZ       LYS  11   0.526 -16.555  -3.169
  103    H    THR  12           H        THR  12  -0.917 -13.173  -6.111
  104    HA   THR  12           HA       THR  12  -1.104 -10.255  -5.797
  105    HB   THR  12           HB       THR  12  -3.488 -11.960  -6.519
  106    HG1  THR  12           HG1      THR  12  -2.314 -10.136  -8.315
  107   1HG2  THR  12          1HG2      THR  12  -4.222 -10.017  -5.424
  108   2HG2  THR  12          2HG2      THR  12  -4.362  -9.634  -7.139
  109   3HG2  THR  12          3HG2      THR  12  -3.002  -9.010  -6.204
  110    H    VAL  13           H        VAL  13  -1.925  -9.562  -3.873
  111    HA   VAL  13           HA       VAL  13  -2.702 -11.656  -1.949
  112    HB   VAL  13           HB       VAL  13  -1.864 -10.140  -0.172
  113   1HG1  VAL  13          1HG1      VAL  13   0.647 -10.289  -1.220
  114   2HG1  VAL  13          2HG1      VAL  13  -0.222 -11.469  -2.202
  115   3HG1  VAL  13          3HG1      VAL  13  -0.205 -11.625  -0.445
  116   1HG2  VAL  13          1HG2      VAL  13  -0.099  -8.476  -1.509
  117   2HG2  VAL  13          2HG2      VAL  13  -1.591  -7.993  -0.703
  118   3HG2  VAL  13          3HG2      VAL  13  -1.597  -8.343  -2.431
  119    H    THR  14           H        THR  14  -4.310 -11.153  -0.404
  120    HA   THR  14           HA       THR  14  -6.142  -9.019  -1.277
  121    HB   THR  14           HB       THR  14  -7.629 -10.622   0.393
  122    HG1  THR  14           HG1      THR  14  -5.945 -12.297  -1.188
  123   1HG2  THR  14          1HG2      THR  14  -8.700  -9.984  -1.531
  124   2HG2  THR  14          2HG2      THR  14  -8.338 -11.663  -1.935
  125   3HG2  THR  14          3HG2      THR  14  -7.317 -10.367  -2.557
  126    H    ILE  15           H        ILE  15  -5.691  -7.276  -0.045
  127    HA   ILE  15           HA       ILE  15  -5.472  -7.669   2.866
  128    HB   ILE  15           HB       ILE  15  -4.558  -5.272   1.277
  129   1HG1  ILE  15          2HG1      ILE  15  -2.942  -7.570   2.404
  130   2HG1  ILE  15          1HG1      ILE  15  -3.243  -7.265   0.695
  131   1HG2  ILE  15          1HG2      ILE  15  -4.768  -5.886   4.124
  132   2HG2  ILE  15          2HG2      ILE  15  -4.609  -4.332   3.306
  133   3HG2  ILE  15          3HG2      ILE  15  -3.175  -5.305   3.636
  134   1HD1  ILE  15          1HD1      ILE  15  -2.035  -5.036   2.175
  135   2HD1  ILE  15          2HD1      ILE  15  -1.670  -5.673   0.572
  136   3HD1  ILE  15          3HD1      ILE  15  -1.034  -6.478   2.006
  137    H    GLU  16           H        GLU  16  -6.605  -6.302   4.270
  138    HA   GLU  16           HA       GLU  16  -9.008  -5.118   3.077
  139   1HB   GLU  16          2HB       GLU  16  -8.667  -6.807   5.258
  140   2HB   GLU  16          1HB       GLU  16  -8.951  -5.232   5.987
  141   1HG   GLU  16          2HG       GLU  16 -11.033  -5.005   4.813
  142   2HG   GLU  16          1HG       GLU  16 -10.732  -6.492   3.916
  143    H    VAL  17           H        VAL  17  -9.244  -2.982   2.984
  144    HA   VAL  17           HA       VAL  17  -7.845  -1.294   4.925
  145    HB   VAL  17           HB       VAL  17  -6.899   0.154   3.317
  146   1HG1  VAL  17          1HG1      VAL  17  -5.189  -1.161   2.692
  147   2HG1  VAL  17          2HG1      VAL  17  -6.235  -2.276   1.813
  148   3HG1  VAL  17          3HG1      VAL  17  -6.067  -2.419   3.563
  149   1HG2  VAL  17          1HG2      VAL  17  -8.906  -1.022   1.556
  150   2HG2  VAL  17          2HG2      VAL  17  -7.332  -0.821   0.787
  151   3HG2  VAL  17          3HG2      VAL  17  -8.146   0.568   1.506
  152    H    GLU  18           H        GLU  18  -8.604   0.994   4.824
  153    HA   GLU  18           HA       GLU  18 -11.434   1.117   4.009
  154   1HB   GLU  18          2HB       GLU  18 -10.333   2.733   6.286
  155   2HB   GLU  18          1HB       GLU  18 -11.999   2.277   5.958
  156   1HG   GLU  18          2HG       GLU  18 -10.258  -0.013   6.392
  157   2HG   GLU  18          1HG       GLU  18 -10.320   1.086   7.769
  158    HA   PRO  19           HA       PRO  19 -10.501   4.552   1.427
  159   1HB   PRO  19          2HB       PRO  19 -12.756   6.090   1.973
  160   2HB   PRO  19          1HB       PRO  19 -12.660   4.802   0.769
  161   1HG   PRO  19          2HG       PRO  19 -13.746   4.728   3.548
  162   2HG   PRO  19          1HG       PRO  19 -14.343   3.922   2.086
  163   1HD   PRO  19          2HD       PRO  19 -12.983   2.582   3.969
  164   2HD   PRO  19          1HD       PRO  19 -12.783   2.211   2.242
  165    H    SER  20           H        SER  20 -11.457   5.107   4.768
  166    HA   SER  20           HA       SER  20 -10.389   7.793   4.799
  167   1HB   SER  20          2HB       SER  20 -10.815   7.325   7.393
  168   2HB   SER  20          1HB       SER  20 -12.133   7.719   6.290
  169    HG   SER  20           HG       SER  20 -12.264   5.752   7.748
  170    H    ASP  21           H        ASP  21  -8.882   4.967   4.610
  171    HA   ASP  21           HA       ASP  21  -6.958   5.266   6.744
  172   1HB   ASP  21          2HB       ASP  21  -7.158   3.371   4.401
  173   2HB   ASP  21          1HB       ASP  21  -5.806   3.355   5.531
  174    H    THR  22           H        THR  22  -4.687   5.600   6.407
  175    HA   THR  22           HA       THR  22  -4.168   7.415   4.160
  176    HB   THR  22           HB       THR  22  -2.380   8.357   5.433
  177    HG1  THR  22           HG1      THR  22  -1.721   7.450   7.410
  178   1HG2  THR  22          1HG2      THR  22  -5.008   8.000   6.729
  179   2HG2  THR  22          2HG2      THR  22  -4.149   9.478   6.295
  180   3HG2  THR  22          3HG2      THR  22  -3.714   8.605   7.765
  181    H    VAL  23           H        VAL  23  -2.192   7.284   2.993
  182    HA   VAL  23           HA       VAL  23  -1.498   4.791   2.043
  183    HB   VAL  23           HB       VAL  23   0.210   7.283   2.102
  184   1HG1  VAL  23          1HG1      VAL  23   0.497   4.796   0.419
  185   2HG1  VAL  23          2HG1      VAL  23   1.578   5.302   1.718
  186   3HG1  VAL  23          3HG1      VAL  23   1.448   6.271   0.251
  187   1HG2  VAL  23          1HG2      VAL  23  -0.645   7.747  -0.072
  188   2HG2  VAL  23          2HG2      VAL  23  -2.028   7.428   0.974
  189   3HG2  VAL  23          3HG2      VAL  23  -1.466   6.188  -0.148
  190    H    GLU  24           H        GLU  24   0.021   6.658   4.636
  191    HA   GLU  24           HA       GLU  24   2.272   5.143   5.115
  192   1HB   GLU  24          2HB       GLU  24   0.779   7.135   6.503
  193   2HB   GLU  24          1HB       GLU  24   1.159   5.851   7.642
  194   1HG   GLU  24          2HG       GLU  24   3.437   6.169   7.447
  195   2HG   GLU  24          1HG       GLU  24   3.295   6.961   5.878
  196    H    ASN  25           H        ASN  25  -0.961   4.680   6.538
  197    HA   ASN  25           HA       ASN  25  -0.347   2.397   8.035
  198   1HB   ASN  25          2HB       ASN  25  -2.866   3.589   6.957
  199   2HB   ASN  25          1HB       ASN  25  -2.922   1.956   7.614
  200   1HD2  ASN  25          1HD2      ASN  25  -2.138   5.295   8.343
  201   2HD2  ASN  25          2HD2      ASN  25  -2.349   5.166  10.053
  202    H    PHE  26           H        PHE  26  -1.505   2.744   4.710
  203    HA   PHE  26           HA       PHE  26  -1.984   0.080   4.107
  204   1HB   PHE  26          2HB       PHE  26  -2.409   2.154   2.666
  205   2HB   PHE  26          1HB       PHE  26  -0.732   2.002   2.150
  206    HD1  PHE  26           HD1      PHE  26  -1.620  -1.237   2.703
  207    HD2  PHE  26           HD2      PHE  26  -2.485   1.957   0.013
  208    HE1  PHE  26           HE1      PHE  26  -2.298  -2.872   0.987
  209    HE2  PHE  26           HE2      PHE  26  -3.166   0.327  -1.708
  210    HZ   PHE  26           HZ       PHE  26  -3.072  -2.091  -1.221
  211    H    LYS  27           H        LYS  27   1.049   1.906   3.746
  212    HA   LYS  27           HA       LYS  27   2.579  -0.254   2.777
  213   1HB   LYS  27          2HB       LYS  27   3.591   2.127   4.336
  214   2HB   LYS  27          1HB       LYS  27   4.514   1.119   3.231
  215   1HG   LYS  27          2HG       LYS  27   3.137   1.898   1.367
  216   2HG   LYS  27          1HG       LYS  27   2.219   2.917   2.478
  217   1HD   LYS  27          2HD       LYS  27   3.733   4.531   2.286
  218   2HD   LYS  27          1HD       LYS  27   4.999   3.435   2.843
  219   1HE   LYS  27          2HE       LYS  27   5.856   3.859   0.793
  220   2HE   LYS  27          1HE       LYS  27   4.747   2.573   0.318
  221   1HZ   LYS  27          1HZ       LYS  27   4.775   5.249  -0.524
  222   2HZ   LYS  27          2HZ       LYS  27   3.325   4.974   0.303
  223   3HZ   LYS  27          3HZ       LYS  27   3.743   4.002  -1.017
  224    H    ALA  28           H        ALA  28   1.719   0.778   6.001
  225    HA   ALA  28           HA       ALA  28   3.657  -0.738   7.408
  226   1HB   ALA  28          1HB       ALA  28   1.652  -0.537   9.199
  227   2HB   ALA  28          2HB       ALA  28   1.207   0.755   8.084
  228   3HB   ALA  28          3HB       ALA  28   2.793   0.764   8.855
  229    H    LYS  29           H        LYS  29   0.340  -1.401   6.375
  230    HA   LYS  29           HA       LYS  29   0.147  -3.935   7.638
  231   1HB   LYS  29          2HB       LYS  29  -1.379  -2.904   5.241
  232   2HB   LYS  29          1HB       LYS  29  -1.841  -4.259   6.261
  233   1HG   LYS  29          2HG       LYS  29  -1.941  -2.634   8.181
  234   2HG   LYS  29          1HG       LYS  29  -1.766  -1.345   6.988
  235   1HD   LYS  29          2HD       LYS  29  -3.809  -1.928   5.930
  236   2HD   LYS  29          1HD       LYS  29  -3.923  -3.439   6.835
  237   1HE   LYS  29          2HE       LYS  29  -3.829  -0.851   8.316
  238   2HE   LYS  29          1HE       LYS  29  -5.334  -1.347   7.544
  239   1HZ   LYS  29          1HZ       LYS  29  -4.414  -3.569   8.888
  240   2HZ   LYS  29          2HZ       LYS  29  -5.714  -2.581   9.328
  241   3HZ   LYS  29          3HZ       LYS  29  -4.173  -2.279   9.957
  242    H    ILE  30           H        ILE  30   1.183  -2.868   4.446
  243    HA   ILE  30           HA       ILE  30   1.354  -5.410   3.239
  244    HB   ILE  30           HB       ILE  30   2.828  -2.844   2.654
  245   1HG1  ILE  30          2HG1      ILE  30   0.559  -4.228   1.206
  246   2HG1  ILE  30          1HG1      ILE  30   0.372  -2.855   2.292
  247   1HG2  ILE  30          1HG2      ILE  30   2.825  -5.437   1.121
  248   2HG2  ILE  30          2HG2      ILE  30   4.209  -4.640   1.866
  249   3HG2  ILE  30          3HG2      ILE  30   3.407  -3.901   0.480
  250   1HD1  ILE  30          1HD1      ILE  30   1.936  -2.847  -0.276
  251   2HD1  ILE  30          2HD1      ILE  30   1.692  -1.472   0.801
  252   3HD1  ILE  30          3HD1      ILE  30   0.318  -2.182  -0.047
  253    H    GLN  31           H        GLN  31   3.592  -3.559   5.222
  254    HA   GLN  31           HA       GLN  31   5.924  -5.027   4.779
  255   1HB   GLN  31          2HB       GLN  31   5.476  -2.850   6.173
  256   2HB   GLN  31          1HB       GLN  31   5.278  -3.976   7.508
  257   1HG   GLN  31          2HG       GLN  31   7.631  -4.761   6.233
  258   2HG   GLN  31          1HG       GLN  31   7.683  -2.999   6.274
  259   1HE2  GLN  31          1HE2      GLN  31   6.839  -5.724   8.385
  260   2HE2  GLN  31          2HE2      GLN  31   7.577  -5.075   9.805
  261    H    ASP  32           H        ASP  32   3.248  -5.584   7.007
  262    HA   ASP  32           HA       ASP  32   4.389  -7.746   8.411
  263   1HB   ASP  32          2HB       ASP  32   1.926  -6.346   8.408
  264   2HB   ASP  32          1HB       ASP  32   1.541  -8.054   8.209
  265    H    LYS  33           H        LYS  33   3.384  -7.518   5.206
  266    HA   LYS  33           HA       LYS  33   2.701 -10.345   4.969
  267   1HB   LYS  33          2HB       LYS  33   2.475  -7.966   3.172
  268   2HB   LYS  33          1HB       LYS  33   2.476  -9.578   2.469
  269   1HG   LYS  33          2HG       LYS  33   0.239  -9.262   2.742
  270   2HG   LYS  33          1HG       LYS  33   0.628 -10.014   4.290
  271   1HD   LYS  33          2HD       LYS  33   1.034  -7.511   5.013
  272   2HD   LYS  33          1HD       LYS  33  -0.055  -7.183   3.665
  273   1HE   LYS  33          2HE       LYS  33  -1.815  -8.375   4.651
  274   2HE   LYS  33          1HE       LYS  33  -0.739  -9.195   5.783
  275   1HZ   LYS  33          1HZ       LYS  33  -0.311  -6.905   6.732
  276   2HZ   LYS  33          2HZ       LYS  33  -1.838  -7.568   7.029
  277   3HZ   LYS  33          3HZ       LYS  33  -1.649  -6.381   5.839
  278    H    GLU  34           H        GLU  34   4.921  -8.075   3.338
  279    HA   GLU  34           HA       GLU  34   6.587 -10.357   2.555
  280   1HB   GLU  34          2HB       GLU  34   6.722  -7.475   1.652
  281   2HB   GLU  34          1HB       GLU  34   7.667  -8.806   1.000
  282   1HG   GLU  34          2HG       GLU  34   4.751  -9.181   0.960
  283   2HG   GLU  34          1HG       GLU  34   5.375  -7.901  -0.080
  284    H    GLY  35           H        GLY  35   6.498  -7.735   4.755
  285   1HA   GLY  35          2HA       GLY  35   7.940  -7.215   6.480
  286   2HA   GLY  35          1HA       GLY  35   8.940  -8.574   5.990
  287    H    ILE  36           H        ILE  36   7.986  -5.813   4.011
  288    HA   ILE  36           HA       ILE  36  10.836  -5.153   3.711
  289    HB   ILE  36           HB       ILE  36   8.544  -4.422   1.884
  290   1HG1  ILE  36          2HG1      ILE  36  10.739  -6.358   1.213
  291   2HG1  ILE  36          1HG1      ILE  36   9.319  -6.906   2.099
  292   1HG2  ILE  36          1HG2      ILE  36  10.896  -3.116   2.129
  293   2HG2  ILE  36          2HG2      ILE  36   9.978  -3.227   0.628
  294   3HG2  ILE  36          3HG2      ILE  36  11.321  -4.330   0.923
  295   1HD1  ILE  36          1HD1      ILE  36   8.285  -7.175   0.169
  296   2HD1  ILE  36          2HD1      ILE  36   9.644  -6.461  -0.701
  297   3HD1  ILE  36          3HD1      ILE  36   8.355  -5.430  -0.078
  298    HA   PRO  37           HA       PRO  37  10.241  -1.476   6.118
  299   1HB   PRO  37          2HB       PRO  37  12.413  -0.467   4.348
  300   2HB   PRO  37          1HB       PRO  37  12.312  -0.477   6.112
  301   1HG   PRO  37          2HG       PRO  37  13.876  -2.210   4.828
  302   2HG   PRO  37          1HG       PRO  37  12.961  -2.700   6.267
  303   1HD   PRO  37          2HD       PRO  37  12.424  -3.282   3.388
  304   2HD   PRO  37          1HD       PRO  37  12.170  -4.307   4.815
  305    HA   PRO  38           HA       PRO  38   7.390   0.727   3.469
  306   1HB   PRO  38          2HB       PRO  38   7.883   2.797   5.564
  307   2HB   PRO  38          1HB       PRO  38   6.353   2.202   4.909
  308   1HG   PRO  38          2HG       PRO  38   7.196   1.414   7.308
  309   2HG   PRO  38          1HG       PRO  38   6.395   0.278   6.208
  310   1HD   PRO  38          2HD       PRO  38   9.281   0.520   6.914
  311   2HD   PRO  38          1HD       PRO  38   8.330  -0.927   6.527
  312    H    ASP  39           H        ASP  39  10.391   2.084   4.714
  313    HA   ASP  39           HA       ASP  39  10.535   4.397   3.167
  314   1HB   ASP  39          2HB       ASP  39  13.110   3.926   3.388
  315   2HB   ASP  39          1HB       ASP  39  12.156   4.318   4.816
  316    H    GLN  40           H        GLN  40  10.679   1.144   2.199
  317    HA   GLN  40           HA       GLN  40  11.747   1.947  -0.428
  318   1HB   GLN  40          2HB       GLN  40  11.889  -0.886   0.530
  319   2HB   GLN  40          1HB       GLN  40  12.885  -0.066  -0.664
  320   1HG   GLN  40          2HG       GLN  40  13.229   1.217   1.855
  321   2HG   GLN  40          1HG       GLN  40  13.436  -0.522   2.061
  322   1HE2  GLN  40          1HE2      GLN  40  14.594  -1.336  -0.197
  323   2HE2  GLN  40          2HE2      GLN  40  16.125  -0.568  -0.426
  324    H    GLN  41           H        GLN  41   8.957   1.682   0.825
  325    HA   GLN  41           HA       GLN  41   7.802  -0.295  -1.003
  326   1HB   GLN  41          2HB       GLN  41   6.778   1.114   1.443
  327   2HB   GLN  41          1HB       GLN  41   5.665   0.348   0.319
  328   1HG   GLN  41          2HG       GLN  41   7.220  -1.721   0.638
  329   2HG   GLN  41          1HG       GLN  41   7.690  -0.887   2.118
  330   1HE2  GLN  41          1HE2      GLN  41   6.755  -2.121   3.631
  331   2HE2  GLN  41          2HE2      GLN  41   5.058  -2.434   3.737
  332    H    ARG  42           H        ARG  42   7.300   0.450  -2.951
  333    HA   ARG  42           HA       ARG  42   6.250   3.192  -3.184
  334   1HB   ARG  42          2HB       ARG  42   7.378   1.590  -5.467
  335   2HB   ARG  42          1HB       ARG  42   7.147   3.329  -5.361
  336   1HG   ARG  42          2HG       ARG  42   8.874   2.709  -3.267
  337   2HG   ARG  42          1HG       ARG  42   9.426   1.730  -4.629
  338   1HD   ARG  42          2HD       ARG  42  10.409   3.527  -5.480
  339   2HD   ARG  42          1HD       ARG  42   8.823   4.273  -5.667
  340    HE   ARG  42           HE       ARG  42  10.803   4.883  -3.675
  341   1HH1  ARG  42          2HH1      ARG  42   7.410   4.962  -4.458
  342   2HH1  ARG  42          1HH1      ARG  42   7.053   6.252  -3.358
  343   1HH2  ARG  42          1HH2      ARG  42  10.345   6.581  -2.224
  344   2HH2  ARG  42          2HH2      ARG  42   8.723   7.173  -2.088
  345    H    LEU  43           H        LEU  43   4.117   3.245  -3.398
  346    HA   LEU  43           HA       LEU  43   2.746   0.988  -4.670
  347   1HB   LEU  43          2HB       LEU  43   1.504   3.290  -3.173
  348   2HB   LEU  43          1HB       LEU  43   0.741   1.775  -3.619
  349    HG   LEU  43           HG       LEU  43   3.003   2.039  -1.637
  350   1HD1  LEU  43          1HD1      LEU  43   0.808   1.142  -0.275
  351   2HD1  LEU  43          2HD1      LEU  43   0.113   2.335  -1.372
  352   3HD1  LEU  43          3HD1      LEU  43   1.409   2.800  -0.271
  353   1HD2  LEU  43          1HD2      LEU  43   1.681  -0.344  -1.218
  354   2HD2  LEU  43          2HD2      LEU  43   3.236  -0.144  -2.026
  355   3HD2  LEU  43          3HD2      LEU  43   1.751  -0.216  -2.976
  356    H    ILE  44           H        ILE  44   2.592   1.239  -6.811
  357    HA   ILE  44           HA       ILE  44   2.056   3.905  -7.907
  358    HB   ILE  44           HB       ILE  44   2.684   1.420  -9.489
  359   1HG1  ILE  44          2HG1      ILE  44   4.576   1.601  -8.103
  360   2HG1  ILE  44          1HG1      ILE  44   5.035   2.462  -9.568
  361   1HG2  ILE  44          1HG2      ILE  44   1.853   3.030 -10.939
  362   2HG2  ILE  44          2HG2      ILE  44   3.598   3.269 -11.040
  363   3HG2  ILE  44          3HG2      ILE  44   2.613   4.357 -10.061
  364   1HD1  ILE  44          1HD1      ILE  44   4.771   3.423  -6.843
  365   2HD1  ILE  44          2HD1      ILE  44   3.931   4.437  -8.017
  366   3HD1  ILE  44          3HD1      ILE  44   5.653   4.106  -8.209
  367    H    PHE  45           H        PHE  45  -0.072   4.325  -7.907
  368    HA   PHE  45           HA       PHE  45  -1.862   2.296  -9.075
  369   1HB   PHE  45          2HB       PHE  45  -2.381   2.544  -6.722
  370   2HB   PHE  45          1HB       PHE  45  -2.452   4.296  -6.885
  371    HD1  PHE  45           HD1      PHE  45  -4.206   1.150  -7.408
  372    HD2  PHE  45           HD2      PHE  45  -4.337   5.369  -8.012
  373    HE1  PHE  45           HE1      PHE  45  -6.619   1.002  -7.886
  374    HE2  PHE  45           HE2      PHE  45  -6.751   5.229  -8.491
  375    HZ   PHE  45           HZ       PHE  45  -7.894   3.044  -8.427
  376    H    ALA  46           H        ALA  46  -2.856   2.887 -10.888
  377    HA   ALA  46           HA       ALA  46  -3.496   4.148 -12.676
  378   1HB   ALA  46          1HB       ALA  46  -5.004   5.873 -12.222
  379   2HB   ALA  46          2HB       ALA  46  -4.178   6.327 -10.731
  380   3HB   ALA  46          3HB       ALA  46  -5.108   4.831 -10.803
  381    H    GLY  47           H        GLY  47  -0.773   4.267 -12.229
  382   1HA   GLY  47          2HA       GLY  47   1.080   5.457 -12.872
  383   2HA   GLY  47          1HA       GLY  47  -0.026   6.521 -13.727
  384    H    LYS  48           H        LYS  48  -0.408   6.109 -10.313
  385    HA   LYS  48           HA       LYS  48   0.860   8.730  -9.864
  386   1HB   LYS  48          2HB       LYS  48  -1.856   7.772  -9.188
  387   2HB   LYS  48          1HB       LYS  48  -1.031   8.684  -7.932
  388   1HG   LYS  48          2HG       LYS  48  -0.884   9.896 -10.592
  389   2HG   LYS  48          1HG       LYS  48  -2.515   9.767  -9.931
  390   1HD   LYS  48          2HD       LYS  48  -0.823  10.658  -7.845
  391   2HD   LYS  48          1HD       LYS  48  -0.454  11.629  -9.272
  392   1HE   LYS  48          2HE       LYS  48  -2.995  11.896  -9.503
  393   2HE   LYS  48          1HE       LYS  48  -3.076  11.302  -7.845
  394   1HZ   LYS  48          1HZ       LYS  48  -1.565  13.127  -7.211
  395   2HZ   LYS  48          2HZ       LYS  48  -3.037  13.682  -7.831
  396   3HZ   LYS  48          3HZ       LYS  48  -1.645  13.726  -8.791
  397    H    GLN  49           H        GLN  49   2.436   8.689  -8.415
  398    HA   GLN  49           HA       GLN  49   2.919   6.323  -6.847
  399   1HB   GLN  49          2HB       GLN  49   4.444   8.572  -7.772
  400   2HB   GLN  49          1HB       GLN  49   4.662   8.396  -6.036
  401   1HG   GLN  49          2HG       GLN  49   5.424   6.144  -6.295
  402   2HG   GLN  49          1HG       GLN  49   5.032   6.161  -8.014
  403   1HE2  GLN  49          1HE2      GLN  49   7.129   7.540  -5.556
  404   2HE2  GLN  49          2HE2      GLN  49   8.419   7.960  -6.626
  405    H    LEU  50           H        LEU  50   1.378   6.124  -5.276
  406    HA   LEU  50           HA       LEU  50   0.190   8.067  -3.745
  407   1HB   LEU  50          2HB       LEU  50   0.957   5.243  -3.033
  408   2HB   LEU  50          1HB       LEU  50   0.005   6.260  -1.968
  409    HG   LEU  50           HG       LEU  50  -1.332   6.417  -4.396
  410   1HD1  LEU  50          1HD1      LEU  50  -1.711   3.939  -4.841
  411   2HD1  LEU  50          2HD1      LEU  50  -0.203   3.669  -3.967
  412   3HD1  LEU  50          3HD1      LEU  50  -0.208   4.642  -5.438
  413   1HD2  LEU  50          1HD2      LEU  50  -2.275   6.271  -2.113
  414   2HD2  LEU  50          2HD2      LEU  50  -1.903   4.547  -2.103
  415   3HD2  LEU  50          3HD2      LEU  50  -3.065   5.191  -3.263
  416    H    GLU  51           H        GLU  51   0.743   9.329  -2.066
  417    HA   GLU  51           HA       GLU  51   3.509   9.145  -1.103
  418   1HB   GLU  51          2HB       GLU  51   1.565  11.383  -1.430
  419   2HB   GLU  51          1HB       GLU  51   2.767  11.512  -0.154
  420   1HG   GLU  51          2HG       GLU  51   4.512  11.680  -1.615
  421   2HG   GLU  51          1HG       GLU  51   3.682  10.777  -2.881
  422    H    ASP  52           H        ASP  52   3.963   9.446   1.148
  423    HA   ASP  52           HA       ASP  52   2.190   7.985   2.835
  424   1HB   ASP  52          2HB       ASP  52   4.480   9.588   3.909
  425   2HB   ASP  52          1HB       ASP  52   3.897   8.004   4.410
  426    H    GLY  53           H        GLY  53   1.916  11.065   1.800
  427   1HA   GLY  53          2HA       GLY  53   0.888  12.057   4.377
  428   2HA   GLY  53          1HA       GLY  53   1.394  13.078   3.038
  429    H    ARG  54           H        ARG  54  -0.106  10.785   1.429
  430    HA   ARG  54           HA       ARG  54  -2.692  12.177   1.541
  431   1HB   ARG  54          2HB       ARG  54  -1.151  10.838  -0.626
  432   2HB   ARG  54          1HB       ARG  54  -2.905  10.791  -0.725
  433   1HG   ARG  54          2HG       ARG  54  -2.376  12.678  -1.941
  434   2HG   ARG  54          1HG       ARG  54  -2.763  13.343  -0.352
  435   1HD   ARG  54          2HD       ARG  54  -0.624  13.963   0.059
  436   2HD   ARG  54          1HD       ARG  54   0.055  12.586  -0.807
  437    HE   ARG  54           HE       ARG  54   0.093  13.843  -2.733
  438   1HH1  ARG  54          2HH1      ARG  54  -1.755  15.492  -0.284
  439   2HH1  ARG  54          1HH1      ARG  54  -1.856  16.973  -1.175
  440   1HH2  ARG  54          1HH2      ARG  54  -0.034  15.789  -3.914
  441   2HH2  ARG  54          2HH2      ARG  54  -0.878  17.143  -3.239
  442    H    THR  55           H        THR  55  -4.604  10.762   0.919
  443    HA   THR  55           HA       THR  55  -4.385   8.169   2.308
  444    HB   THR  55           HB       THR  55  -6.623   8.409   3.119
  445    HG1  THR  55           HG1      THR  55  -6.725  10.445   1.214
  446   1HG2  THR  55          1HG2      THR  55  -5.444  11.144   3.526
  447   2HG2  THR  55          2HG2      THR  55  -4.714   9.706   4.239
  448   3HG2  THR  55          3HG2      THR  55  -6.364  10.159   4.662
  449    H    LEU  56           H        LEU  56  -6.312   6.700   1.695
  450    HA   LEU  56           HA       LEU  56  -6.090   6.057  -1.030
  451   1HB   LEU  56          2HB       LEU  56  -8.275   5.200   0.866
  452   2HB   LEU  56          1HB       LEU  56  -7.791   4.388  -0.611
  453    HG   LEU  56           HG       LEU  56  -6.119   4.655   1.887
  454   1HD1  LEU  56          1HD1      LEU  56  -8.187   2.881   1.285
  455   2HD1  LEU  56          2HD1      LEU  56  -6.989   2.732   2.570
  456   3HD1  LEU  56          3HD1      LEU  56  -6.698   1.980   1.002
  457   1HD2  LEU  56          1HD2      LEU  56  -4.785   4.689  -0.185
  458   2HD2  LEU  56          2HD2      LEU  56  -5.530   3.164  -0.664
  459   3HD2  LEU  56          3HD2      LEU  56  -4.514   3.235   0.775
  460    H    SER  57           H        SER  57  -8.612   7.740   0.788
  461    HA   SER  57           HA       SER  57 -10.500   7.955  -1.269
  462   1HB   SER  57          2HB       SER  57 -11.605   9.540   0.086
  463   2HB   SER  57          1HB       SER  57 -10.769   8.493   1.233
  464    HG   SER  57           HG       SER  57 -10.259  11.145   0.532
  465    H    ASP  58           H        ASP  58  -7.560   9.692  -0.654
  466    HA   ASP  58           HA       ASP  58  -8.101  11.991  -2.212
  467   1HB   ASP  58          2HB       ASP  58  -5.639  10.695  -1.123
  468   2HB   ASP  58          1HB       ASP  58  -5.460  11.937  -2.358
  469    H    TYR  59           H        TYR  59  -6.967   8.779  -2.980
  470    HA   TYR  59           HA       TYR  59  -6.495   9.554  -5.767
  471   1HB   TYR  59          2HB       TYR  59  -5.898   6.953  -4.340
  472   2HB   TYR  59          1HB       TYR  59  -5.478   7.322  -6.009
  473    HD1  TYR  59           HD1      TYR  59  -4.762   8.144  -2.479
  474    HD2  TYR  59           HD2      TYR  59  -3.561   8.648  -6.539
  475    HE1  TYR  59           HE1      TYR  59  -2.618   9.095  -1.722
  476    HE2  TYR  59           HE2      TYR  59  -1.415   9.599  -5.793
  477    HH   TYR  59           HH       TYR  59  -0.819  10.414  -2.469
  478    H    ASN  60           H        ASN  60  -9.130   9.038  -4.216
  479    HA   ASN  60           HA       ASN  60 -11.163   8.071  -4.581
  480   1HB   ASN  60          2HB       ASN  60 -10.094   8.451  -7.373
  481   2HB   ASN  60          1HB       ASN  60 -11.713   7.824  -7.079
  482   1HD2  ASN  60          1HD2      ASN  60 -12.103   9.848  -8.387
  483   2HD2  ASN  60          2HD2      ASN  60 -12.377  11.302  -7.495
  484    H    ILE  61           H        ILE  61  -9.500   6.192  -3.670
  485    HA   ILE  61           HA       ILE  61  -9.436   3.913  -5.451
  486    HB   ILE  61           HB       ILE  61  -8.704   4.116  -2.529
  487   1HG1  ILE  61          2HG1      ILE  61  -6.994   4.133  -5.027
  488   2HG1  ILE  61          1HG1      ILE  61  -7.270   5.497  -3.946
  489   1HG2  ILE  61          1HG2      ILE  61  -8.997   1.870  -2.732
  490   2HG2  ILE  61          2HG2      ILE  61  -7.348   1.988  -3.348
  491   3HG2  ILE  61          3HG2      ILE  61  -8.704   1.876  -4.471
  492   1HD1  ILE  61          1HD1      ILE  61  -5.741   2.978  -3.382
  493   2HD1  ILE  61          2HD1      ILE  61  -6.206   4.129  -2.129
  494   3HD1  ILE  61          3HD1      ILE  61  -5.136   4.634  -3.438
  495    H    GLN  62           H        GLN  62 -10.808   2.224  -5.476
  496    HA   GLN  62           HA       GLN  62 -12.953   2.177  -3.457
  497   1HB   GLN  62          2HB       GLN  62 -13.096   1.683  -6.427
  498   2HB   GLN  62          1HB       GLN  62 -14.357   1.151  -5.324
  499   1HG   GLN  62          2HG       GLN  62 -13.555   3.927  -6.076
  500   2HG   GLN  62          1HG       GLN  62 -15.150   3.175  -6.111
  501   1HE2  GLN  62          1HE2      GLN  62 -13.485   5.470  -4.623
  502   2HE2  GLN  62          2HE2      GLN  62 -14.197   5.429  -3.050
  503    H    LYS  63           H        LYS  63 -14.135  -0.088  -3.651
  504    HA   LYS  63           HA       LYS  63 -12.242  -2.021  -2.801
  505   1HB   LYS  63          2HB       LYS  63 -14.260  -3.568  -2.852
  506   2HB   LYS  63          1HB       LYS  63 -14.387  -2.151  -1.820
  507   1HG   LYS  63          2HG       LYS  63 -15.368  -1.697  -4.526
  508   2HG   LYS  63          1HG       LYS  63 -16.242  -2.961  -3.657
  509   1HD   LYS  63          2HD       LYS  63 -15.670  -0.469  -2.168
  510   2HD   LYS  63          1HD       LYS  63 -16.861  -0.364  -3.465
  511   1HE   LYS  63          2HE       LYS  63 -18.050  -0.866  -1.471
  512   2HE   LYS  63          1HE       LYS  63 -18.012  -2.343  -2.433
  513   1HZ   LYS  63          1HZ       LYS  63 -16.235  -3.179  -1.065
  514   2HZ   LYS  63          2HZ       LYS  63 -17.534  -2.735  -0.077
  515   3HZ   LYS  63          3HZ       LYS  63 -16.172  -1.737  -0.181
  516    H    GLU  64           H        GLU  64 -11.943  -4.165  -3.728
  517    HA   GLU  64           HA       GLU  64 -11.427  -5.608  -5.410
  518   1HB   GLU  64          2HB       GLU  64 -13.141  -4.056  -7.320
  519   2HB   GLU  64          1HB       GLU  64 -12.839  -5.788  -7.261
  520   1HG   GLU  64          2HG       GLU  64 -14.058  -5.148  -4.827
  521   2HG   GLU  64          1HG       GLU  64 -14.949  -4.260  -6.062
  522    H    SER  65           H        SER  65 -10.461  -2.566  -5.225
  523    HA   SER  65           HA       SER  65  -9.320  -2.142  -7.821
  524   1HB   SER  65          2HB       SER  65  -9.057  -0.773  -5.155
  525   2HB   SER  65          1HB       SER  65  -7.991  -0.350  -6.494
  526    HG   SER  65           HG       SER  65 -10.811  -0.383  -6.739
  527    H    THR  66           H        THR  66  -7.143  -2.291  -8.419
  528    HA   THR  66           HA       THR  66  -5.505  -4.007  -6.671
  529    HB   THR  66           HB       THR  66  -5.199  -3.892  -9.663
  530    HG1  THR  66           HG1      THR  66  -7.099  -4.839  -9.722
  531   1HG2  THR  66          1HG2      THR  66  -3.763  -5.127  -7.593
  532   2HG2  THR  66          2HG2      THR  66  -3.582  -5.388  -9.328
  533   3HG2  THR  66          3HG2      THR  66  -4.666  -6.415  -8.390
  534    H    ILE  67           H        ILE  67  -3.535  -3.299  -6.114
  535    HA   ILE  67           HA       ILE  67  -2.475  -0.932  -7.518
  536    HB   ILE  67           HB       ILE  67  -2.145  -1.582  -4.586
  537   1HG1  ILE  67          2HG1      ILE  67  -3.514   0.901  -5.304
  538   2HG1  ILE  67          1HG1      ILE  67  -4.383  -0.537  -5.832
  539   1HG2  ILE  67          1HG2      ILE  67  -1.253   0.773  -6.241
  540   2HG2  ILE  67          2HG2      ILE  67  -0.227  -0.411  -5.429
  541   3HG2  ILE  67          3HG2      ILE  67  -1.200   0.713  -4.479
  542   1HD1  ILE  67          1HD1      ILE  67  -5.151  -0.829  -3.786
  543   2HD1  ILE  67          2HD1      ILE  67  -4.289   0.617  -3.260
  544   3HD1  ILE  67          3HD1      ILE  67  -3.504  -0.960  -3.169
  545    H    HIS  68           H        HIS  68  -0.239  -0.807  -7.826
  546    HA   HIS  68           HA       HIS  68   1.125  -3.397  -7.679
  547   1HB   HIS  68          2HB       HIS  68   2.303  -1.074  -9.133
  548   2HB   HIS  68          1HB       HIS  68   2.355  -2.788  -9.527
  549    HD1  HIS  68           HD1      HIS  68   1.680  -0.923 -11.768
  550    HD2  HIS  68           HD2      HIS  68  -1.214  -2.518  -9.248
  551    HE1  HIS  68           HE1      HIS  68  -0.474  -0.807 -13.060
  552    HE2  HIS  68           HE2      HIS  68  -2.209  -1.799 -11.526
  553    H    LEU  69           H        LEU  69   2.988  -3.705  -6.566
  554    HA   LEU  69           HA       LEU  69   3.988  -1.419  -4.997
  555   1HB   LEU  69          2HB       LEU  69   3.094  -2.877  -3.418
  556   2HB   LEU  69          1HB       LEU  69   3.603  -4.304  -4.301
  557    HG   LEU  69           HG       LEU  69   6.003  -3.577  -3.717
  558   1HD1  LEU  69          1HD1      LEU  69   5.364  -2.388  -1.247
  559   2HD1  LEU  69          2HD1      LEU  69   4.511  -1.474  -2.490
  560   3HD1  LEU  69          3HD1      LEU  69   6.259  -1.684  -2.594
  561   1HD2  LEU  69          1HD2      LEU  69   5.740  -5.367  -2.432
  562   2HD2  LEU  69          2HD2      LEU  69   4.012  -5.054  -2.272
  563   3HD2  LEU  69          3HD2      LEU  69   5.150  -4.309  -1.150
  564    H    VAL  70           H        VAL  70   5.955  -0.766  -5.553
  565    HA   VAL  70           HA       VAL  70   7.801  -2.735  -6.739
  566    HB   VAL  70           HB       VAL  70   8.390   0.094  -7.263
  567   1HG1  VAL  70          1HG1      VAL  70   8.311  -1.167  -9.655
  568   2HG1  VAL  70          2HG1      VAL  70   8.602  -2.528  -8.572
  569   3HG1  VAL  70          3HG1      VAL  70   9.712  -1.158  -8.583
  570   1HG2  VAL  70          1HG2      VAL  70   6.597  -0.177  -9.234
  571   2HG2  VAL  70          2HG2      VAL  70   6.233   0.624  -7.705
  572   3HG2  VAL  70          3HG2      VAL  70   5.757  -1.056  -7.957
  573    H    LEU  71           H        LEU  71   9.887  -2.821  -6.015
  574    HA   LEU  71           HA       LEU  71  10.400  -1.527  -3.462
  575   1HB   LEU  71          2HB       LEU  71  11.062  -4.009  -4.589
  576   2HB   LEU  71          1HB       LEU  71  12.580  -3.141  -4.453
  577    HG   LEU  71           HG       LEU  71  11.749  -2.677  -2.001
  578   1HD1  LEU  71          1HD1      LEU  71   9.529  -3.819  -2.595
  579   2HD1  LEU  71          2HD1      LEU  71  10.302  -4.248  -1.068
  580   3HD1  LEU  71          3HD1      LEU  71  10.430  -5.329  -2.456
  581   1HD2  LEU  71          1HD2      LEU  71  13.230  -4.267  -1.312
  582   2HD2  LEU  71          2HD2      LEU  71  13.657  -4.191  -3.021
  583   3HD2  LEU  71          3HD2      LEU  71  12.615  -5.485  -2.429
  584    H    ARG  72           H        ARG  72  11.991  -0.044  -3.070
  585    HA   ARG  72           HA       ARG  72  13.390   1.005  -5.441
  586   1HB   ARG  72          2HB       ARG  72  11.783   2.595  -4.545
  587   2HB   ARG  72          1HB       ARG  72  12.489   2.446  -2.942
  588   1HG   ARG  72          2HG       ARG  72  14.502   3.179  -4.860
  589   2HG   ARG  72          1HG       ARG  72  13.140   4.299  -4.922
  590   1HD   ARG  72          2HD       ARG  72  13.701   3.760  -2.196
  591   2HD   ARG  72          1HD       ARG  72  15.227   4.132  -2.995
  592    HE   ARG  72           HE       ARG  72  13.177   5.995  -3.676
  593   1HH1  ARG  72          2HH1      ARG  72  15.492   5.143  -1.219
  594   2HH1  ARG  72          1HH1      ARG  72  15.621   6.754  -0.597
  595   1HH2  ARG  72          1HH2      ARG  72  13.338   8.122  -2.865
  596   2HH2  ARG  72          2HH2      ARG  72  14.395   8.449  -1.532
  597    H    LEU  73           H        LEU  73  15.185  -0.373  -5.180
  598    HA   LEU  73           HA       LEU  73  16.804   0.101  -2.770
  599   1HB   LEU  73          2HB       LEU  73  16.491  -2.210  -4.611
  600   2HB   LEU  73          1HB       LEU  73  18.076  -1.947  -3.911
  601    HG   LEU  73           HG       LEU  73  15.746  -1.961  -2.061
  602   1HD1  LEU  73          1HD1      LEU  73  15.530  -4.291  -1.993
  603   2HD1  LEU  73          2HD1      LEU  73  16.966  -4.543  -2.985
  604   3HD1  LEU  73          3HD1      LEU  73  15.497  -3.890  -3.710
  605   1HD2  LEU  73          1HD2      LEU  73  18.324  -3.393  -1.656
  606   2HD2  LEU  73          2HD2      LEU  73  17.294  -2.567  -0.486
  607   3HD2  LEU  73          3HD2      LEU  73  18.306  -1.632  -1.587
  608    H    ARG  74           H        ARG  74  17.617   2.108  -3.530
  609    HA   ARG  74           HA       ARG  74  19.472   3.253  -4.288
  610   1HB   ARG  74          2HB       ARG  74  20.545   0.931  -4.493
  611   2HB   ARG  74          1HB       ARG  74  20.070   0.991  -6.184
  612   1HG   ARG  74          2HG       ARG  74  21.365   3.427  -5.631
  613   2HG   ARG  74          1HG       ARG  74  22.343   2.151  -4.904
  614   1HD   ARG  74          2HD       ARG  74  22.579   1.025  -6.971
  615   2HD   ARG  74          1HD       ARG  74  21.318   1.997  -7.727
  616    HE   ARG  74           HE       ARG  74  23.480   3.612  -6.833
  617   1HH1  ARG  74          2HH1      ARG  74  22.497   1.432  -9.364
  618   2HH1  ARG  74          1HH1      ARG  74  23.551   2.128 -10.550
  619   1HH2  ARG  74          1HH2      ARG  74  24.872   4.537  -8.386
  620   2HH2  ARG  74          2HH2      ARG  74  24.902   3.893  -9.993
  621    H    GLY  75           H        GLY  75  17.177   4.074  -5.132
  622   1HA   GLY  75          2HA       GLY  75  17.673   5.045  -7.774
  623   2HA   GLY  75          1HA       GLY  75  16.376   3.859  -7.759
  624    H    GLY  76           HN       GLY  76  16.608   6.909  -8.152
  625   1HA   GLY  76          2HA       GLY  76  14.179   7.820  -7.691
  626   2HA   GLY  76          1HA       GLY  76  14.796   7.825  -6.045
  Start of MODEL    9
    1   2H    MET   1          2H        MET   1 -12.597  -1.201   2.868
    2   3H    MET   1          3H        MET   1 -12.407  -2.837   3.251
    3   1H    MET   1          1H        MET   1 -13.954  -2.205   2.980
    4    HA   MET   1           HA       MET   1 -13.780  -2.890   0.906
    5   1HB   MET   1          2HB       MET   1 -12.891  -1.345  -0.569
    6   2HB   MET   1          1HB       MET   1 -13.040  -0.382   0.893
    7   1HG   MET   1          2HG       MET   1 -10.554  -1.314   1.228
    8   2HG   MET   1          1HG       MET   1 -10.636  -1.314  -0.532
    9   1HE   MET   1          1HE       MET   1 -11.350   2.379  -1.397
   10   2HE   MET   1          2HE       MET   1 -12.706   1.376  -0.885
   11   3HE   MET   1          3HE       MET   1 -11.443   0.694  -1.908
   12    H    GLN   2           H        GLN   2 -12.920  -4.506  -0.280
   13    HA   GLN   2           HA       GLN   2 -10.362  -5.592   0.644
   14   1HB   GLN   2          2HB       GLN   2 -12.759  -6.822   0.255
   15   2HB   GLN   2          1HB       GLN   2 -11.961  -7.153  -1.277
   16   1HG   GLN   2          2HG       GLN   2 -10.195  -8.303  -0.224
   17   2HG   GLN   2          1HG       GLN   2 -10.663  -7.711   1.370
   18   1HE2  GLN   2          1HE2      GLN   2 -13.009  -8.799  -0.946
   19   2HE2  GLN   2          2HE2      GLN   2 -13.446 -10.255  -0.125
   20    H    VAL   3           H        VAL   3  -8.683  -4.850  -0.459
   21    HA   VAL   3           HA       VAL   3  -8.895  -4.650  -3.393
   22    HB   VAL   3           HB       VAL   3  -7.140  -3.002  -3.367
   23   1HG1  VAL   3          1HG1      VAL   3  -8.399  -1.238  -2.656
   24   2HG1  VAL   3          2HG1      VAL   3  -8.824  -2.012  -1.129
   25   3HG1  VAL   3          3HG1      VAL   3  -9.631  -2.500  -2.620
   26   1HG2  VAL   3          1HG2      VAL   3  -6.745  -3.994  -0.638
   27   2HG2  VAL   3          2HG2      VAL   3  -6.647  -2.241  -0.797
   28   3HG2  VAL   3          3HG2      VAL   3  -5.593  -3.273  -1.764
   29    H    PHE   4           H        PHE   4  -6.721  -4.963  -4.512
   30    HA   PHE   4           HA       PHE   4  -5.265  -7.183  -3.234
   31   1HB   PHE   4          2HB       PHE   4  -5.497  -6.976  -6.213
   32   2HB   PHE   4          1HB       PHE   4  -5.225  -8.399  -5.213
   33    HD1  PHE   4           HD1      PHE   4  -7.109  -9.426  -3.981
   34    HD2  PHE   4           HD2      PHE   4  -7.688  -6.246  -6.764
   35    HE1  PHE   4           HE1      PHE   4  -9.511  -9.970  -4.100
   36    HE2  PHE   4           HE2      PHE   4 -10.090  -6.784  -6.885
   37    HZ   PHE   4           HZ       PHE   4 -11.004  -8.648  -5.552
   38    H    LEU   5           H        LEU   5  -3.040  -7.396  -3.739
   39    HA   LEU   5           HA       LEU   5  -1.799  -4.994  -4.907
   40   1HB   LEU   5          2HB       LEU   5  -1.737  -5.400  -2.288
   41   2HB   LEU   5          1HB       LEU   5  -0.416  -6.469  -2.720
   42    HG   LEU   5           HG       LEU   5   0.270  -4.209  -4.081
   43   1HD1  LEU   5          1HD1      LEU   5  -0.642  -3.170  -1.431
   44   2HD1  LEU   5          2HD1      LEU   5  -1.732  -3.155  -2.818
   45   3HD1  LEU   5          3HD1      LEU   5  -0.201  -2.283  -2.891
   46   1HD2  LEU   5          1HD2      LEU   5   1.806  -5.490  -2.773
   47   2HD2  LEU   5          2HD2      LEU   5   0.975  -5.059  -1.278
   48   3HD2  LEU   5          3HD2      LEU   5   1.850  -3.826  -2.187
   49    H    LYS   6           H        LYS   6  -0.130  -5.340  -6.294
   50    HA   LYS   6           HA       LYS   6   0.485  -8.141  -6.908
   51   1HB   LYS   6          2HB       LYS   6  -0.221  -6.027  -8.547
   52   2HB   LYS   6          1HB       LYS   6   1.520  -6.144  -8.768
   53   1HG   LYS   6          2HG       LYS   6   1.333  -7.977 -10.007
   54   2HG   LYS   6          1HG       LYS   6   0.244  -8.743  -8.849
   55   1HD   LYS   6          2HD       LYS   6  -1.205  -8.549 -10.587
   56   2HD   LYS   6          1HD       LYS   6  -1.446  -6.953  -9.873
   57   1HE   LYS   6          2HE       LYS   6  -1.154  -6.648 -12.216
   58   2HE   LYS   6          1HE       LYS   6   0.320  -6.091 -11.424
   59   1HZ   LYS   6          1HZ       LYS   6  -0.110  -8.468 -13.091
   60   2HZ   LYS   6          2HZ       LYS   6   1.079  -8.524 -11.889
   61   3HZ   LYS   6          3HZ       LYS   6   1.166  -7.356 -13.111
   62    H    THR   7           H        THR   7   2.551  -8.923  -6.981
   63    HA   THR   7           HA       THR   7   4.594  -7.231  -5.717
   64    HB   THR   7           HB       THR   7   5.752  -9.300  -5.128
   65    HG1  THR   7           HG1      THR   7   5.161 -11.195  -5.936
   66   1HG2  THR   7          1HG2      THR   7   4.239  -8.612  -3.460
   67   2HG2  THR   7          2HG2      THR   7   3.904 -10.328  -3.691
   68   3HG2  THR   7          3HG2      THR   7   2.838  -9.118  -4.405
   69    H    LEU   8           H        LEU   8   6.920  -8.083  -6.382
   70    HA   LEU   8           HA       LEU   8   7.190  -7.452  -9.164
   71   1HB   LEU   8          2HB       LEU   8   9.408  -8.478  -7.422
   72   2HB   LEU   8          1HB       LEU   8   9.506  -7.377  -8.783
   73    HG   LEU   8           HG       LEU   8   8.467  -6.777  -6.019
   74   1HD1  LEU   8          1HD1      LEU   8  10.411  -5.727  -5.647
   75   2HD1  LEU   8          2HD1      LEU   8  10.483  -5.070  -7.282
   76   3HD1  LEU   8          3HD1      LEU   8  11.014  -6.722  -6.972
   77   1HD2  LEU   8          1HD2      LEU   8   8.322  -4.404  -7.090
   78   2HD2  LEU   8          2HD2      LEU   8   6.988  -5.542  -7.279
   79   3HD2  LEU   8          3HD2      LEU   8   8.138  -5.306  -8.595
   80    H    THR   9           H        THR   9   6.616 -10.306  -7.496
   81    HA   THR   9           HA       THR   9   7.962 -11.979  -9.491
   82    HB   THR   9           HB       THR   9   7.611 -13.841  -8.042
   83    HG1  THR   9           HG1      THR   9   6.206 -13.802  -6.348
   84   1HG2  THR   9          1HG2      THR   9   9.314 -11.994  -7.404
   85   2HG2  THR   9          2HG2      THR   9   8.938 -13.249  -6.223
   86   3HG2  THR   9          3HG2      THR   9   8.201 -11.654  -6.078
   87    H    GLY  10           H        GLY  10   4.891 -10.710  -8.722
   88   1HA   GLY  10          2HA       GLY  10   3.103 -10.843 -10.303
   89   2HA   GLY  10          1HA       GLY  10   3.692 -12.427 -10.786
   90    H    LYS  11           H        LYS  11   3.406 -11.542  -7.430
   91    HA   LYS  11           HA       LYS  11   1.347 -13.597  -7.112
   92   1HB   LYS  11          2HB       LYS  11   3.077 -14.047  -5.622
   93   2HB   LYS  11          1HB       LYS  11   3.360 -12.347  -5.280
   94   1HG   LYS  11          2HG       LYS  11   1.182 -12.299  -4.070
   95   2HG   LYS  11          1HG       LYS  11   1.082 -14.047  -4.295
   96   1HD   LYS  11          2HD       LYS  11   3.188 -14.324  -3.079
   97   2HD   LYS  11          1HD       LYS  11   3.290 -12.576  -2.856
   98   1HE   LYS  11          2HE       LYS  11   1.991 -12.686  -1.058
   99   2HE   LYS  11          1HE       LYS  11   0.730 -13.508  -1.976
  100   1HZ   LYS  11          1HZ       LYS  11   1.174 -15.323  -0.814
  101   2HZ   LYS  11          2HZ       LYS  11   2.464 -14.567  -0.023
  102   3HZ   LYS  11          3HZ       LYS  11   2.726 -15.376  -1.486
  103    H    THR  12           H        THR  12  -0.692 -13.140  -6.544
  104    HA   THR  12           HA       THR  12  -1.381 -10.323  -6.118
  105    HB   THR  12           HB       THR  12  -3.131 -12.678  -6.849
  106    HG1  THR  12           HG1      THR  12  -1.621 -10.998  -8.305
  107   1HG2  THR  12          1HG2      THR  12  -3.764  -9.814  -6.225
  108   2HG2  THR  12          2HG2      THR  12  -4.576 -11.278  -5.671
  109   3HG2  THR  12          3HG2      THR  12  -4.772 -10.737  -7.338
  110    H    VAL  13           H        VAL  13  -1.818  -9.627  -4.144
  111    HA   VAL  13           HA       VAL  13  -2.632 -11.590  -2.104
  112    HB   VAL  13           HB       VAL  13  -1.805  -9.874  -0.451
  113   1HG1  VAL  13          1HG1      VAL  13   0.444 -10.698  -2.242
  114   2HG1  VAL  13          2HG1      VAL  13  -0.530 -11.917  -1.421
  115   3HG1  VAL  13          3HG1      VAL  13   0.353 -10.714  -0.480
  116   1HG2  VAL  13          1HG2      VAL  13  -1.879  -8.015  -2.184
  117   2HG2  VAL  13          2HG2      VAL  13  -0.354  -8.666  -2.787
  118   3HG2  VAL  13          3HG2      VAL  13  -0.464  -8.068  -1.131
  119    H    THR  14           H        THR  14  -4.054 -10.740  -0.380
  120    HA   THR  14           HA       THR  14  -5.956  -8.762  -1.458
  121    HB   THR  14           HB       THR  14  -7.306 -10.316   0.460
  122    HG1  THR  14           HG1      THR  14  -6.962 -12.386  -0.929
  123   1HG2  THR  14          1HG2      THR  14  -8.857 -10.499  -1.191
  124   2HG2  THR  14          2HG2      THR  14  -7.665 -10.953  -2.409
  125   3HG2  THR  14          3HG2      THR  14  -7.852  -9.261  -1.946
  126    H    ILE  15           H        ILE  15  -5.326  -6.944  -0.397
  127    HA   ILE  15           HA       ILE  15  -4.991  -7.057   2.514
  128    HB   ILE  15           HB       ILE  15  -4.474  -4.689   0.719
  129   1HG1  ILE  15          2HG1      ILE  15  -3.134  -6.846   0.217
  130   2HG1  ILE  15          1HG1      ILE  15  -2.240  -5.345   0.448
  131   1HG2  ILE  15          1HG2      ILE  15  -3.701  -5.373   3.545
  132   2HG2  ILE  15          2HG2      ILE  15  -4.693  -4.026   2.986
  133   3HG2  ILE  15          3HG2      ILE  15  -2.966  -4.056   2.629
  134   1HD1  ILE  15          1HD1      ILE  15  -2.700  -7.236   2.719
  135   2HD1  ILE  15          2HD1      ILE  15  -1.466  -5.988   2.542
  136   3HD1  ILE  15          3HD1      ILE  15  -1.372  -7.464   1.580
  137    H    GLU  16           H        GLU  16  -6.417  -6.146   3.893
  138    HA   GLU  16           HA       GLU  16  -8.815  -4.941   2.720
  139   1HB   GLU  16          2HB       GLU  16  -8.438  -5.841   5.574
  140   2HB   GLU  16          1HB       GLU  16  -9.951  -5.508   4.743
  141   1HG   GLU  16          2HG       GLU  16 -10.019  -7.742   4.556
  142   2HG   GLU  16          1HG       GLU  16  -8.986  -7.444   3.159
  143    H    VAL  17           H        VAL  17  -9.306  -2.866   2.971
  144    HA   VAL  17           HA       VAL  17  -8.077  -1.327   5.130
  145    HB   VAL  17           HB       VAL  17  -7.276   0.418   3.749
  146   1HG1  VAL  17          1HG1      VAL  17  -6.539  -2.298   2.704
  147   2HG1  VAL  17          2HG1      VAL  17  -5.647  -1.263   3.819
  148   3HG1  VAL  17          3HG1      VAL  17  -5.760  -0.831   2.113
  149   1HG2  VAL  17          1HG2      VAL  17  -8.980   0.665   2.137
  150   2HG2  VAL  17          2HG2      VAL  17  -8.740  -0.969   1.518
  151   3HG2  VAL  17          3HG2      VAL  17  -7.518   0.272   1.232
  152    H    GLU  18           H        GLU  18  -9.037   0.994   5.090
  153    HA   GLU  18           HA       GLU  18 -11.877   0.845   4.321
  154   1HB   GLU  18          2HB       GLU  18 -10.645   1.642   6.933
  155   2HB   GLU  18          1HB       GLU  18 -12.176   2.352   6.437
  156   1HG   GLU  18          2HG       GLU  18 -12.175  -0.523   6.124
  157   2HG   GLU  18          1HG       GLU  18 -11.807  -0.039   7.780
  158    HA   PRO  19           HA       PRO  19 -11.109   4.519   1.973
  159   1HB   PRO  19          2HB       PRO  19 -13.913   5.119   2.798
  160   2HB   PRO  19          1HB       PRO  19 -13.183   5.149   1.189
  161   1HG   PRO  19          2HG       PRO  19 -14.764   3.135   1.926
  162   2HG   PRO  19          1HG       PRO  19 -13.320   2.846   0.940
  163   1HD   PRO  19          2HD       PRO  19 -13.778   2.307   3.835
  164   2HD   PRO  19          1HD       PRO  19 -12.799   1.408   2.658
  165    H    SER  20           H        SER  20  -9.652   5.384   3.546
  166    HA   SER  20           HA       SER  20  -9.922   7.884   4.380
  167   1HB   SER  20          2HB       SER  20 -10.546   7.518   6.924
  168   2HB   SER  20          1HB       SER  20 -11.802   7.754   5.709
  169    HG   SER  20           HG       SER  20 -10.928   5.324   6.870
  170    H    ASP  21           H        ASP  21  -8.471   4.878   4.730
  171    HA   ASP  21           HA       ASP  21  -6.718   5.420   6.903
  172   1HB   ASP  21          2HB       ASP  21  -6.933   3.344   4.778
  173   2HB   ASP  21          1HB       ASP  21  -5.373   3.534   5.571
  174    H    THR  22           H        THR  22  -4.385   5.708   6.721
  175    HA   THR  22           HA       THR  22  -3.740   7.602   4.593
  176    HB   THR  22           HB       THR  22  -1.699   8.072   5.976
  177    HG1  THR  22           HG1      THR  22  -2.335   7.181   8.303
  178   1HG2  THR  22          1HG2      THR  22  -4.468   8.422   7.082
  179   2HG2  THR  22          2HG2      THR  22  -3.432   9.609   6.288
  180   3HG2  THR  22          3HG2      THR  22  -3.061   9.071   7.926
  181    H    VAL  23           H        VAL  23  -2.003   7.377   3.211
  182    HA   VAL  23           HA       VAL  23  -1.385   4.944   2.153
  183    HB   VAL  23           HB       VAL  23   0.322   7.427   2.250
  184   1HG1  VAL  23          1HG1      VAL  23   1.056   4.779   1.412
  185   2HG1  VAL  23          2HG1      VAL  23   2.031   6.248   1.460
  186   3HG1  VAL  23          3HG1      VAL  23   1.060   5.880   0.035
  187   1HG2  VAL  23          1HG2      VAL  23  -0.742   8.098   0.373
  188   2HG2  VAL  23          2HG2      VAL  23  -2.021   7.046   0.982
  189   3HG2  VAL  23          3HG2      VAL  23  -0.905   6.456  -0.250
  190    H    GLU  24           H        GLU  24   0.380   6.633   4.725
  191    HA   GLU  24           HA       GLU  24   2.538   4.932   5.020
  192   1HB   GLU  24          2HB       GLU  24   1.542   7.109   6.389
  193   2HB   GLU  24          1HB       GLU  24   1.418   5.818   7.577
  194   1HG   GLU  24          2HG       GLU  24   3.636   5.685   7.856
  195   2HG   GLU  24          1HG       GLU  24   3.972   5.929   6.143
  196    H    ASN  25           H        ASN  25  -0.633   4.724   6.622
  197    HA   ASN  25           HA       ASN  25  -0.177   2.418   8.106
  198   1HB   ASN  25          2HB       ASN  25  -2.501   3.948   7.217
  199   2HB   ASN  25          1HB       ASN  25  -2.841   2.227   7.377
  200   1HD2  ASN  25          1HD2      ASN  25  -3.620   4.660   8.950
  201   2HD2  ASN  25          2HD2      ASN  25  -3.230   4.259  10.585
  202    H    PHE  26           H        PHE  26  -1.277   2.793   4.767
  203    HA   PHE  26           HA       PHE  26  -1.878   0.129   4.209
  204   1HB   PHE  26          2HB       PHE  26  -2.374   2.087   2.728
  205   2HB   PHE  26          1HB       PHE  26  -0.672   2.124   2.282
  206    HD1  PHE  26           HD1      PHE  26  -2.304  -1.082   2.853
  207    HD2  PHE  26           HD2      PHE  26  -1.258   1.839  -0.072
  208    HE1  PHE  26           HE1      PHE  26  -2.742  -2.722   1.066
  209    HE2  PHE  26           HE2      PHE  26  -1.695   0.204  -1.865
  210    HZ   PHE  26           HZ       PHE  26  -2.439  -2.078  -1.297
  211    H    LYS  27           H        LYS  27   1.194   1.881   3.891
  212    HA   LYS  27           HA       LYS  27   2.696  -0.235   2.822
  213   1HB   LYS  27          2HB       LYS  27   3.368   2.278   4.301
  214   2HB   LYS  27          1HB       LYS  27   4.629   1.085   4.027
  215   1HG   LYS  27          2HG       LYS  27   4.383   1.260   1.660
  216   2HG   LYS  27          1HG       LYS  27   2.944   2.266   1.833
  217   1HD   LYS  27          2HD       LYS  27   4.958   3.545   3.307
  218   2HD   LYS  27          1HD       LYS  27   5.713   3.038   1.794
  219   1HE   LYS  27          2HE       LYS  27   3.209   4.057   1.078
  220   2HE   LYS  27          1HE       LYS  27   3.841   5.174   2.289
  221   1HZ   LYS  27          1HZ       LYS  27   4.845   6.056   0.494
  222   2HZ   LYS  27          2HZ       LYS  27   4.795   4.621  -0.399
  223   3HZ   LYS  27          3HZ       LYS  27   5.993   4.844   0.775
  224    H    ALA  28           H        ALA  28   1.818   0.592   6.112
  225    HA   ALA  28           HA       ALA  28   3.632  -1.158   7.412
  226   1HB   ALA  28          1HB       ALA  28   1.191   0.344   8.211
  227   2HB   ALA  28          2HB       ALA  28   2.824   0.405   8.874
  228   3HB   ALA  28          3HB       ALA  28   1.764  -0.951   9.263
  229    H    LYS  29           H        LYS  29   0.310  -1.508   6.264
  230    HA   LYS  29           HA       LYS  29  -0.150  -4.073   7.360
  231   1HB   LYS  29          2HB       LYS  29  -1.429  -2.418   5.225
  232   2HB   LYS  29          1HB       LYS  29  -1.857  -4.119   5.346
  233   1HG   LYS  29          2HG       LYS  29  -2.479  -3.750   7.713
  234   2HG   LYS  29          1HG       LYS  29  -2.160  -2.028   7.489
  235   1HD   LYS  29          2HD       LYS  29  -4.217  -1.753   6.697
  236   2HD   LYS  29          1HD       LYS  29  -3.856  -2.872   5.380
  237   1HE   LYS  29          2HE       LYS  29  -5.173  -4.427   6.263
  238   2HE   LYS  29          1HE       LYS  29  -4.335  -4.324   7.811
  239   1HZ   LYS  29          1HZ       LYS  29  -6.259  -3.531   8.567
  240   2HZ   LYS  29          2HZ       LYS  29  -6.862  -3.208   7.020
  241   3HZ   LYS  29          3HZ       LYS  29  -5.854  -2.086   7.785
  242    H    ILE  30           H        ILE  30   1.055  -2.981   4.217
  243    HA   ILE  30           HA       ILE  30   1.188  -5.514   2.994
  244    HB   ILE  30           HB       ILE  30   2.862  -3.057   2.455
  245   1HG1  ILE  30          2HG1      ILE  30   0.464  -4.044   0.912
  246   2HG1  ILE  30          1HG1      ILE  30   0.319  -2.900   2.244
  247   1HG2  ILE  30          1HG2      ILE  30   2.457  -4.746   0.178
  248   2HG2  ILE  30          2HG2      ILE  30   3.176  -5.677   1.492
  249   3HG2  ILE  30          3HG2      ILE  30   3.966  -4.210   0.914
  250   1HD1  ILE  30          1HD1      ILE  30   0.371  -1.528   0.397
  251   2HD1  ILE  30          2HD1      ILE  30   1.563  -2.524  -0.440
  252   3HD1  ILE  30          3HD1      ILE  30   2.054  -1.515   0.922
  253    H    GLN  31           H        GLN  31   3.430  -3.749   5.050
  254    HA   GLN  31           HA       GLN  31   5.718  -5.305   4.647
  255   1HB   GLN  31          2HB       GLN  31   5.527  -3.107   5.908
  256   2HB   GLN  31          1HB       GLN  31   4.943  -4.044   7.275
  257   1HG   GLN  31          2HG       GLN  31   7.138  -5.414   6.877
  258   2HG   GLN  31          1HG       GLN  31   7.660  -3.934   6.072
  259   1HE2  GLN  31          1HE2      GLN  31   9.269  -4.021   7.834
  260   2HE2  GLN  31          2HE2      GLN  31   8.863  -3.280   9.340
  261    H    ASP  32           H        ASP  32   3.081  -5.668   6.995
  262    HA   ASP  32           HA       ASP  32   4.142  -7.901   8.337
  263   1HB   ASP  32          2HB       ASP  32   1.927  -8.210   9.254
  264   2HB   ASP  32          1HB       ASP  32   2.271  -6.484   9.180
  265    H    LYS  33           H        LYS  33   2.964  -7.607   5.196
  266    HA   LYS  33           HA       LYS  33   2.185 -10.424   5.021
  267   1HB   LYS  33          2HB       LYS  33   1.671  -7.999   3.380
  268   2HB   LYS  33          1HB       LYS  33   1.737  -9.542   2.540
  269   1HG   LYS  33          2HG       LYS  33   0.099 -10.240   4.514
  270   2HG   LYS  33          1HG       LYS  33  -0.255  -8.512   4.471
  271   1HD   LYS  33          2HD       LYS  33  -1.757  -9.181   2.908
  272   2HD   LYS  33          1HD       LYS  33  -0.354  -9.037   1.849
  273   1HE   LYS  33          2HE       LYS  33  -1.508 -11.527   3.080
  274   2HE   LYS  33          1HE       LYS  33  -1.351 -11.132   1.368
  275   1HZ   LYS  33          1HZ       LYS  33   0.985 -11.385   1.483
  276   2HZ   LYS  33          2HZ       LYS  33   0.322 -12.741   2.246
  277   3HZ   LYS  33          3HZ       LYS  33   0.975 -11.486   3.173
  278    H    GLU  34           H        GLU  34   4.202  -8.120   3.177
  279    HA   GLU  34           HA       GLU  34   5.776 -10.384   2.185
  280   1HB   GLU  34          2HB       GLU  34   5.682  -7.495   1.300
  281   2HB   GLU  34          1HB       GLU  34   6.715  -8.727   0.586
  282   1HG   GLU  34          2HG       GLU  34   3.759  -9.130   0.712
  283   2HG   GLU  34          1HG       GLU  34   4.473  -8.124  -0.546
  284    H    GLY  35           H        GLY  35   5.960  -7.622   4.272
  285   1HA   GLY  35          2HA       GLY  35   7.570  -7.096   5.845
  286   2HA   GLY  35          1HA       GLY  35   8.473  -8.513   5.332
  287    H    ILE  36           H        ILE  36   7.584  -5.267   4.166
  288    HA   ILE  36           HA       ILE  36  10.369  -4.903   3.320
  289    HB   ILE  36           HB       ILE  36   7.979  -4.193   1.616
  290   1HG1  ILE  36          2HG1      ILE  36  10.147  -6.272   1.244
  291   2HG1  ILE  36          1HG1      ILE  36   8.447  -6.590   1.575
  292   1HG2  ILE  36          1HG2      ILE  36   9.291  -2.866   0.400
  293   2HG2  ILE  36          2HG2      ILE  36  10.594  -4.055   0.369
  294   3HG2  ILE  36          3HG2      ILE  36  10.443  -2.946   1.733
  295   1HD1  ILE  36          1HD1      ILE  36   9.594  -5.349  -0.912
  296   2HD1  ILE  36          2HD1      ILE  36   7.872  -5.536  -0.579
  297   3HD1  ILE  36          3HD1      ILE  36   8.897  -6.960  -0.749
  298    HA   PRO  37           HA       PRO  37   9.913  -1.263   5.863
  299   1HB   PRO  37          2HB       PRO  37  12.126  -0.399   4.050
  300   2HB   PRO  37          1HB       PRO  37  12.013  -0.304   5.811
  301   1HG   PRO  37          2HG       PRO  37  13.500  -2.182   4.649
  302   2HG   PRO  37          1HG       PRO  37  12.542  -2.548   6.097
  303   1HD   PRO  37          2HD       PRO  37  12.044  -3.292   3.256
  304   2HD   PRO  37          1HD       PRO  37  11.654  -4.178   4.743
  305    HA   PRO  38           HA       PRO  38   7.180   1.153   3.311
  306   1HB   PRO  38          2HB       PRO  38   7.930   3.241   5.304
  307   2HB   PRO  38          1HB       PRO  38   6.330   2.732   4.758
  308   1HG   PRO  38          2HG       PRO  38   7.257   1.972   7.135
  309   2HG   PRO  38          1HG       PRO  38   6.316   0.857   6.127
  310   1HD   PRO  38          2HD       PRO  38   9.251   0.927   6.647
  311   2HD   PRO  38          1HD       PRO  38   8.180  -0.467   6.395
  312    H    ASP  39           H        ASP  39  10.239   2.511   4.488
  313    HA   ASP  39           HA       ASP  39  10.448   4.641   2.692
  314   1HB   ASP  39          2HB       ASP  39  12.679   3.008   3.923
  315   2HB   ASP  39          1HB       ASP  39  12.856   4.601   3.195
  316    H    GLN  40           H        GLN  40  10.603   1.306   2.114
  317    HA   GLN  40           HA       GLN  40  11.871   1.772  -0.506
  318   1HB   GLN  40          2HB       GLN  40  11.827  -0.797   1.087
  319   2HB   GLN  40          1HB       GLN  40  12.601  -0.562  -0.474
  320   1HG   GLN  40          2HG       GLN  40  14.294   0.748   0.419
  321   2HG   GLN  40          1HG       GLN  40  13.373   1.116   1.877
  322   1HE2  GLN  40          1HE2      GLN  40  14.474  -1.797   0.166
  323   2HE2  GLN  40          2HE2      GLN  40  15.107  -2.587   1.566
  324    H    GLN  41           H        GLN  41   8.967   1.609   0.720
  325    HA   GLN  41           HA       GLN  41   7.861  -0.350  -1.157
  326   1HB   GLN  41          2HB       GLN  41   6.872   0.949   1.339
  327   2HB   GLN  41          1HB       GLN  41   5.687   0.438   0.145
  328   1HG   GLN  41          2HG       GLN  41   6.961  -1.822   0.231
  329   2HG   GLN  41          1HG       GLN  41   7.566  -1.211   1.771
  330   1HE2  GLN  41          1HE2      GLN  41   6.489  -2.123   3.357
  331   2HE2  GLN  41          2HE2      GLN  41   4.780  -2.365   3.425
  332    H    ARG  42           H        ARG  42   7.344   0.382  -3.099
  333    HA   ARG  42           HA       ARG  42   6.337   3.141  -3.347
  334   1HB   ARG  42          2HB       ARG  42   8.488   1.944  -4.643
  335   2HB   ARG  42          1HB       ARG  42   7.200   1.914  -5.839
  336   1HG   ARG  42          2HG       ARG  42   7.274   4.127  -6.159
  337   2HG   ARG  42          1HG       ARG  42   7.483   4.469  -4.439
  338   1HD   ARG  42          2HD       ARG  42   9.628   4.892  -4.818
  339   2HD   ARG  42          1HD       ARG  42   9.846   3.209  -5.296
  340    HE   ARG  42           HE       ARG  42   8.808   4.772  -7.433
  341   1HH1  ARG  42          2HH1      ARG  42  11.729   4.037  -5.687
  342   2HH1  ARG  42          1HH1      ARG  42  12.773   4.408  -7.018
  343   1HH2  ARG  42          1HH2      ARG  42  10.173   5.262  -9.194
  344   2HH2  ARG  42          2HH2      ARG  42  11.889   5.105  -9.013
  345    H    LEU  43           H        LEU  43   4.213   3.205  -3.627
  346    HA   LEU  43           HA       LEU  43   2.873   0.952  -4.940
  347   1HB   LEU  43          2HB       LEU  43   1.402   3.196  -3.628
  348   2HB   LEU  43          1HB       LEU  43   0.937   1.515  -3.802
  349    HG   LEU  43           HG       LEU  43   2.990   2.623  -1.889
  350   1HD1  LEU  43          1HD1      LEU  43   0.511   2.909  -1.408
  351   2HD1  LEU  43          2HD1      LEU  43   1.477   2.104  -0.171
  352   3HD1  LEU  43          3HD1      LEU  43   0.451   1.154  -1.246
  353   1HD2  LEU  43          1HD2      LEU  43   3.248   0.353  -1.074
  354   2HD2  LEU  43          2HD2      LEU  43   3.672   0.437  -2.784
  355   3HD2  LEU  43          3HD2      LEU  43   2.117  -0.235  -2.293
  356    H    ILE  44           H        ILE  44   2.030   1.132  -6.916
  357    HA   ILE  44           HA       ILE  44   1.754   3.833  -8.066
  358    HB   ILE  44           HB       ILE  44   2.308   1.391  -9.728
  359   1HG1  ILE  44          2HG1      ILE  44   4.134   1.568  -8.099
  360   2HG1  ILE  44          1HG1      ILE  44   4.690   2.000  -9.714
  361   1HG2  ILE  44          1HG2      ILE  44   1.725   4.092 -10.277
  362   2HG2  ILE  44          2HG2      ILE  44   2.171   2.822 -11.417
  363   3HG2  ILE  44          3HG2      ILE  44   3.419   3.838 -10.696
  364   1HD1  ILE  44          1HD1      ILE  44   4.155   3.803  -7.382
  365   2HD1  ILE  44          2HD1      ILE  44   4.298   4.412  -9.032
  366   3HD1  ILE  44          3HD1      ILE  44   5.655   3.573  -8.281
  367    H    PHE  45           H        PHE  45  -0.353   4.280  -8.140
  368    HA   PHE  45           HA       PHE  45  -2.148   2.270  -9.319
  369   1HB   PHE  45          2HB       PHE  45  -2.358   2.565  -6.769
  370   2HB   PHE  45          1HB       PHE  45  -3.056   4.138  -7.140
  371    HD1  PHE  45           HD1      PHE  45  -5.266   3.863  -6.423
  372    HD2  PHE  45           HD2      PHE  45  -3.511   0.985  -9.033
  373    HE1  PHE  45           HE1      PHE  45  -7.473   2.811  -6.739
  374    HE2  PHE  45           HE2      PHE  45  -5.714  -0.072  -9.356
  375    HZ   PHE  45           HZ       PHE  45  -7.699   0.841  -8.208
  376    H    ALA  46           H        ALA  46  -3.392   2.997 -10.933
  377    HA   ALA  46           HA       ALA  46  -4.234   4.383 -12.530
  378   1HB   ALA  46          1HB       ALA  46  -5.698   5.913 -11.748
  379   2HB   ALA  46          2HB       ALA  46  -4.505   6.680 -10.700
  380   3HB   ALA  46          3HB       ALA  46  -5.293   5.187 -10.193
  381    H    GLY  47           H        GLY  47  -1.454   4.306 -12.442
  382   1HA   GLY  47          2HA       GLY  47   0.389   5.411 -13.246
  383   2HA   GLY  47          1HA       GLY  47  -0.751   6.510 -14.008
  384    H    LYS  48           H        LYS  48  -0.782   6.150 -10.564
  385    HA   LYS  48           HA       LYS  48   0.739   8.644 -10.251
  386   1HB   LYS  48          2HB       LYS  48  -2.008   8.028  -9.176
  387   2HB   LYS  48          1HB       LYS  48  -0.982   9.264  -8.462
  388   1HG   LYS  48          2HG       LYS  48  -0.852  10.130 -10.937
  389   2HG   LYS  48          1HG       LYS  48  -2.362   9.230 -11.094
  390   1HD   LYS  48          2HD       LYS  48  -3.300  10.484  -9.209
  391   2HD   LYS  48          1HD       LYS  48  -1.791  11.387  -9.061
  392   1HE   LYS  48          2HE       LYS  48  -2.250  11.911 -11.601
  393   2HE   LYS  48          1HE       LYS  48  -3.915  11.551 -11.145
  394   1HZ   LYS  48          1HZ       LYS  48  -3.119  13.954 -10.974
  395   2HZ   LYS  48          2HZ       LYS  48  -2.283  13.460  -9.590
  396   3HZ   LYS  48          3HZ       LYS  48  -3.967  13.318  -9.655
  397    H    GLN  49           H        GLN  49   2.112   8.674  -8.562
  398    HA   GLN  49           HA       GLN  49   2.444   6.236  -7.050
  399   1HB   GLN  49          2HB       GLN  49   4.026   8.706  -7.512
  400   2HB   GLN  49          1HB       GLN  49   4.316   7.846  -6.006
  401   1HG   GLN  49          2HG       GLN  49   5.209   6.025  -7.054
  402   2HG   GLN  49          1HG       GLN  49   4.298   6.294  -8.538
  403   1HE2  GLN  49          1HE2      GLN  49   7.065   7.296  -6.653
  404   2HE2  GLN  49          2HE2      GLN  49   7.921   8.050  -7.950
  405    H    LEU  50           H        LEU  50   2.083   5.927  -4.907
  406    HA   LEU  50           HA       LEU  50   0.430   7.918  -3.572
  407   1HB   LEU  50          2HB       LEU  50   1.064   5.031  -3.053
  408   2HB   LEU  50          1HB       LEU  50   0.306   6.020  -1.818
  409    HG   LEU  50           HG       LEU  50  -1.465   6.548  -3.629
  410   1HD1  LEU  50          1HD1      LEU  50  -0.536   3.921  -4.743
  411   2HD1  LEU  50          2HD1      LEU  50  -0.003   5.462  -5.415
  412   3HD1  LEU  50          3HD1      LEU  50  -1.717   5.048  -5.409
  413   1HD2  LEU  50          1HD2      LEU  50  -2.817   4.897  -2.769
  414   2HD2  LEU  50          2HD2      LEU  50  -1.548   4.982  -1.547
  415   3HD2  LEU  50          3HD2      LEU  50  -1.526   3.696  -2.755
  416    H    GLU  51           H        GLU  51   1.078   9.162  -1.925
  417    HA   GLU  51           HA       GLU  51   3.815   8.775  -0.926
  418   1HB   GLU  51          2HB       GLU  51   2.155  11.275  -0.649
  419   2HB   GLU  51          1HB       GLU  51   3.895  11.104  -0.460
  420   1HG   GLU  51          2HG       GLU  51   2.549  10.553  -3.078
  421   2HG   GLU  51          1HG       GLU  51   3.003  12.188  -2.598
  422    H    ASP  52           H        ASP  52   4.223   9.303   1.349
  423    HA   ASP  52           HA       ASP  52   2.374   7.959   3.052
  424   1HB   ASP  52          2HB       ASP  52   4.823   9.563   3.812
  425   2HB   ASP  52          1HB       ASP  52   3.988   8.388   4.824
  426    H    GLY  53           H        GLY  53   2.133  10.960   1.815
  427   1HA   GLY  53          2HA       GLY  53   1.068  12.136   4.296
  428   2HA   GLY  53          1HA       GLY  53   1.572  13.052   2.884
  429    H    ARG  54           H        ARG  54   0.068  10.542   1.548
  430    HA   ARG  54           HA       ARG  54  -2.523  11.939   1.508
  431   1HB   ARG  54          2HB       ARG  54  -0.949  10.478  -0.551
  432   2HB   ARG  54          1HB       ARG  54  -2.701  10.366  -0.644
  433   1HG   ARG  54          2HG       ARG  54  -1.888  12.160  -2.046
  434   2HG   ARG  54          1HG       ARG  54  -2.851  12.807  -0.716
  435   1HD   ARG  54          2HD       ARG  54  -0.086  12.617   0.048
  436   2HD   ARG  54          1HD       ARG  54  -0.245  13.530  -1.452
  437    HE   ARG  54           HE       ARG  54  -2.121  14.364   0.536
  438   1HH1  ARG  54          2HH1      ARG  54   1.179  14.673  -0.531
  439   2HH1  ARG  54          1HH1      ARG  54   1.402  16.234   0.185
  440   1HH2  ARG  54          1HH2      ARG  54  -1.840  16.421   1.484
  441   2HH2  ARG  54          2HH2      ARG  54  -0.315  17.228   1.330
  442    H    THR  55           H        THR  55  -4.370  10.366   0.856
  443    HA   THR  55           HA       THR  55  -4.134   7.917   2.479
  444    HB   THR  55           HB       THR  55  -6.552   8.182   3.024
  445    HG1  THR  55           HG1      THR  55  -7.391  10.361   2.685
  446   1HG2  THR  55          1HG2      THR  55  -6.007   9.270   4.913
  447   2HG2  THR  55          2HG2      THR  55  -5.486  10.711   4.041
  448   3HG2  THR  55          3HG2      THR  55  -4.384   9.348   4.229
  449    H    LEU  56           H        LEU  56  -6.415   6.640   1.945
  450    HA   LEU  56           HA       LEU  56  -6.023   5.740  -0.749
  451   1HB   LEU  56          2HB       LEU  56  -8.237   4.952   1.139
  452   2HB   LEU  56          1HB       LEU  56  -7.649   4.051  -0.245
  453    HG   LEU  56           HG       LEU  56  -5.945   4.625   2.173
  454   1HD1  LEU  56          1HD1      LEU  56  -7.672   2.228   1.583
  455   2HD1  LEU  56          2HD1      LEU  56  -7.832   3.347   2.936
  456   3HD1  LEU  56          3HD1      LEU  56  -6.427   2.287   2.832
  457   1HD2  LEU  56          1HD2      LEU  56  -4.699   2.643   1.275
  458   2HD2  LEU  56          2HD2      LEU  56  -4.628   4.090   0.268
  459   3HD2  LEU  56          3HD2      LEU  56  -5.698   2.758  -0.174
  460    H    SER  57           H        SER  57  -8.642   7.384   0.994
  461    HA   SER  57           HA       SER  57 -10.438   7.537  -1.163
  462   1HB   SER  57          2HB       SER  57 -11.750   8.841   0.216
  463   2HB   SER  57          1HB       SER  57 -10.710   8.079   1.419
  464    HG   SER  57           HG       SER  57 -10.816  10.326   1.739
  465    H    ASP  58           H        ASP  58  -7.627   9.384  -0.334
  466    HA   ASP  58           HA       ASP  58  -8.157  11.715  -1.829
  467   1HB   ASP  58          2HB       ASP  58  -5.641  10.414  -0.826
  468   2HB   ASP  58          1HB       ASP  58  -5.562  11.837  -1.859
  469    H    TYR  59           H        TYR  59  -6.954   8.561  -2.709
  470    HA   TYR  59           HA       TYR  59  -6.380   9.477  -5.434
  471   1HB   TYR  59          2HB       TYR  59  -5.819   6.814  -4.113
  472   2HB   TYR  59          1HB       TYR  59  -5.340   7.264  -5.745
  473    HD1  TYR  59           HD1      TYR  59  -3.764   9.283  -5.997
  474    HD2  TYR  59           HD2      TYR  59  -4.414   7.264  -2.300
  475    HE1  TYR  59           HE1      TYR  59  -1.658  10.218  -5.124
  476    HE2  TYR  59           HE2      TYR  59  -2.311   8.193  -1.416
  477    HH   TYR  59           HH       TYR  59  -0.490  10.613  -3.166
  478    H    ASN  60           H        ASN  60  -9.078   8.901  -4.052
  479    HA   ASN  60           HA       ASN  60 -11.102   8.007  -4.588
  480   1HB   ASN  60          2HB       ASN  60 -10.317   7.642  -7.433
  481   2HB   ASN  60          1HB       ASN  60 -11.760   8.385  -6.749
  482   1HD2  ASN  60          1HD2      ASN  60 -10.416  10.163  -4.992
  483   2HD2  ASN  60          2HD2      ASN  60  -9.674  11.386  -5.960
  484    H    ILE  61           H        ILE  61  -9.427   6.129  -3.550
  485    HA   ILE  61           HA       ILE  61  -9.317   3.799  -5.244
  486    HB   ILE  61           HB       ILE  61  -8.836   4.023  -2.270
  487   1HG1  ILE  61          2HG1      ILE  61  -6.872   4.045  -4.574
  488   2HG1  ILE  61          1HG1      ILE  61  -7.316   5.442  -3.599
  489   1HG2  ILE  61          1HG2      ILE  61  -9.287   1.747  -3.647
  490   2HG2  ILE  61          2HG2      ILE  61  -8.237   1.852  -2.232
  491   3HG2  ILE  61          3HG2      ILE  61  -7.543   1.905  -3.852
  492   1HD1  ILE  61          1HD1      ILE  61  -5.529   4.933  -2.380
  493   2HD1  ILE  61          2HD1      ILE  61  -5.421   3.307  -3.053
  494   3HD1  ILE  61          3HD1      ILE  61  -6.515   3.634  -1.709
  495    H    GLN  62           H        GLN  62 -10.843   2.302  -5.485
  496    HA   GLN  62           HA       GLN  62 -13.032   2.207  -3.514
  497   1HB   GLN  62          2HB       GLN  62 -13.208   1.818  -6.507
  498   2HB   GLN  62          1HB       GLN  62 -14.537   1.576  -5.382
  499   1HG   GLN  62          2HG       GLN  62 -13.120   4.201  -5.488
  500   2HG   GLN  62          1HG       GLN  62 -14.346   3.799  -6.689
  501   1HE2  GLN  62          1HE2      GLN  62 -13.888   5.383  -3.906
  502   2HE2  GLN  62          2HE2      GLN  62 -15.467   5.273  -3.218
  503    H    LYS  63           H        LYS  63 -14.371   0.031  -4.111
  504    HA   LYS  63           HA       LYS  63 -12.704  -2.084  -3.255
  505   1HB   LYS  63          2HB       LYS  63 -15.528  -2.035  -4.317
  506   2HB   LYS  63          1HB       LYS  63 -14.747  -3.506  -3.753
  507   1HG   LYS  63          2HG       LYS  63 -15.660  -2.978  -1.785
  508   2HG   LYS  63          1HG       LYS  63 -14.317  -1.842  -1.653
  509   1HD   LYS  63          2HD       LYS  63 -16.228  -0.568  -1.170
  510   2HD   LYS  63          1HD       LYS  63 -15.832  -0.170  -2.843
  511   1HE   LYS  63          2HE       LYS  63 -17.513  -2.386  -3.008
  512   2HE   LYS  63          1HE       LYS  63 -18.219  -1.376  -1.748
  513   1HZ   LYS  63          1HZ       LYS  63 -17.609  -0.590  -4.543
  514   2HZ   LYS  63          2HZ       LYS  63 -18.070   0.508  -3.342
  515   3HZ   LYS  63          3HZ       LYS  63 -19.135  -0.715  -3.822
  516    H    GLU  64           H        GLU  64 -12.174  -4.040  -4.338
  517    HA   GLU  64           HA       GLU  64 -11.466  -5.335  -6.073
  518   1HB   GLU  64          2HB       GLU  64 -13.054  -3.606  -7.957
  519   2HB   GLU  64          1HB       GLU  64 -12.616  -5.299  -8.138
  520   1HG   GLU  64          2HG       GLU  64 -14.100  -5.177  -5.782
  521   2HG   GLU  64          1HG       GLU  64 -14.940  -4.125  -6.921
  522    H    SER  65           H        SER  65 -10.408  -2.508  -5.376
  523    HA   SER  65           HA       SER  65  -9.068  -1.720  -7.810
  524   1HB   SER  65          2HB       SER  65  -9.092  -0.713  -4.981
  525   2HB   SER  65          1HB       SER  65  -7.842  -0.171  -6.100
  526    HG   SER  65           HG       SER  65 -10.008   0.090  -7.455
  527    H    THR  66           H        THR  66  -6.987  -2.131  -8.385
  528    HA   THR  66           HA       THR  66  -5.441  -3.878  -6.582
  529    HB   THR  66           HB       THR  66  -5.326  -3.822  -9.604
  530    HG1  THR  66           HG1      THR  66  -7.284  -4.743  -8.709
  531   1HG2  THR  66          1HG2      THR  66  -3.288  -4.696  -9.131
  532   2HG2  THR  66          2HG2      THR  66  -4.226  -6.168  -8.878
  533   3HG2  THR  66          3HG2      THR  66  -3.754  -5.175  -7.499
  534    H    ILE  67           H        ILE  67  -3.422  -3.285  -6.051
  535    HA   ILE  67           HA       ILE  67  -2.274  -0.947  -7.432
  536    HB   ILE  67           HB       ILE  67  -1.842  -1.657  -4.532
  537   1HG1  ILE  67          2HG1      ILE  67  -3.272   0.421  -4.147
  538   2HG1  ILE  67          1HG1      ILE  67  -3.777   0.264  -5.827
  539   1HG2  ILE  67          1HG2      ILE  67  -0.253  -0.175  -6.105
  540   2HG2  ILE  67          2HG2      ILE  67  -0.474   0.135  -4.382
  541   3HG2  ILE  67          3HG2      ILE  67  -1.384   1.067  -5.571
  542   1HD1  ILE  67          1HD1      ILE  67  -4.935  -1.697  -5.426
  543   2HD1  ILE  67          2HD1      ILE  67  -5.256  -0.736  -3.982
  544   3HD1  ILE  67          3HD1      ILE  67  -4.057  -2.029  -3.933
  545    H    HIS  68           H        HIS  68  -0.071  -0.933  -7.836
  546    HA   HIS  68           HA       HIS  68   1.231  -3.557  -7.623
  547   1HB   HIS  68          2HB       HIS  68   2.205  -1.300  -9.353
  548   2HB   HIS  68          1HB       HIS  68   2.486  -3.028  -9.535
  549    HD1  HIS  68           HD1      HIS  68   0.881  -4.305 -10.986
  550    HD2  HIS  68           HD2      HIS  68  -0.455  -0.468 -10.113
  551    HE1  HIS  68           HE1      HIS  68  -1.144  -3.950 -12.435
  552    HE2  HIS  68           HE2      HIS  68  -1.887  -1.593 -11.949
  553    H    LEU  69           H        LEU  69   3.005  -3.832  -6.416
  554    HA   LEU  69           HA       LEU  69   4.080  -1.486  -5.026
  555   1HB   LEU  69          2HB       LEU  69   3.305  -3.247  -3.575
  556   2HB   LEU  69          1HB       LEU  69   4.266  -4.436  -4.432
  557    HG   LEU  69           HG       LEU  69   6.324  -3.293  -3.646
  558   1HD1  LEU  69          1HD1      LEU  69   5.939  -1.123  -3.132
  559   2HD1  LEU  69          2HD1      LEU  69   5.699  -1.802  -1.522
  560   3HD1  LEU  69          3HD1      LEU  69   4.307  -1.436  -2.540
  561   1HD2  LEU  69          1HD2      LEU  69   4.869  -5.127  -2.377
  562   2HD2  LEU  69          2HD2      LEU  69   4.791  -3.843  -1.172
  563   3HD2  LEU  69          3HD2      LEU  69   6.355  -4.464  -1.701
  564    H    VAL  70           H        VAL  70   6.235  -0.957  -5.051
  565    HA   VAL  70           HA       VAL  70   8.032  -2.589  -6.699
  566    HB   VAL  70           HB       VAL  70   8.388   0.313  -7.039
  567   1HG1  VAL  70          1HG1      VAL  70   8.631  -2.178  -8.652
  568   2HG1  VAL  70          2HG1      VAL  70   9.814  -0.903  -8.358
  569   3HG1  VAL  70          3HG1      VAL  70   8.486  -0.632  -9.488
  570   1HG2  VAL  70          1HG2      VAL  70   5.861  -1.040  -7.801
  571   2HG2  VAL  70          2HG2      VAL  70   6.582   0.062  -8.973
  572   3HG2  VAL  70          3HG2      VAL  70   6.159   0.642  -7.363
  573    H    LEU  71           H        LEU  71  10.304  -2.119  -6.359
  574    HA   LEU  71           HA       LEU  71  10.848  -1.542  -3.585
  575   1HB   LEU  71          2HB       LEU  71  12.165  -2.918  -5.763
  576   2HB   LEU  71          1HB       LEU  71  13.279  -1.849  -4.932
  577    HG   LEU  71           HG       LEU  71  13.270  -4.183  -4.064
  578   1HD1  LEU  71          1HD1      LEU  71  13.802  -3.459  -2.001
  579   2HD1  LEU  71          2HD1      LEU  71  12.264  -2.624  -1.782
  580   3HD1  LEU  71          3HD1      LEU  71  13.554  -1.864  -2.712
  581   1HD2  LEU  71          1HD2      LEU  71  11.448  -5.178  -3.118
  582   2HD2  LEU  71          2HD2      LEU  71  10.651  -4.214  -4.361
  583   3HD2  LEU  71          3HD2      LEU  71  10.689  -3.644  -2.694
  584    H    ARG  72           H        ARG  72  11.418   0.365  -2.793
  585    HA   ARG  72           HA       ARG  72  12.271   2.465  -4.663
  586   1HB   ARG  72          2HB       ARG  72  10.338   3.164  -3.492
  587   2HB   ARG  72          1HB       ARG  72  10.948   2.555  -1.959
  588   1HG   ARG  72          2HG       ARG  72  12.739   4.299  -2.079
  589   2HG   ARG  72          1HG       ARG  72  11.899   4.969  -3.478
  590   1HD   ARG  72          2HD       ARG  72  10.092   4.509  -1.265
  591   2HD   ARG  72          1HD       ARG  72  11.428   5.563  -0.802
  592    HE   ARG  72           HE       ARG  72   9.323   6.142  -2.711
  593   1HH1  ARG  72          2HH1      ARG  72  12.428   7.029  -1.409
  594   2HH1  ARG  72          1HH1      ARG  72  12.342   8.665  -1.970
  595   1HH2  ARG  72          1HH2      ARG  72   9.196   8.296  -3.453
  596   2HH2  ARG  72          2HH2      ARG  72  10.502   9.387  -3.130
  597    H    LEU  73           H        LEU  73  14.065   3.767  -4.210
  598    HA   LEU  73           HA       LEU  73  16.025   2.506  -2.430
  599   1HB   LEU  73          2HB       LEU  73  16.430   4.523  -4.638
  600   2HB   LEU  73          1HB       LEU  73  17.705   3.776  -3.695
  601    HG   LEU  73           HG       LEU  73  15.863   1.952  -5.144
  602   1HD1  LEU  73          1HD1      LEU  73  18.117   3.102  -6.702
  603   2HD1  LEU  73          2HD1      LEU  73  16.606   4.008  -6.617
  604   3HD1  LEU  73          3HD1      LEU  73  16.614   2.365  -7.258
  605   1HD2  LEU  73          1HD2      LEU  73  18.853   1.875  -5.061
  606   2HD2  LEU  73          2HD2      LEU  73  17.705   0.544  -5.208
  607   3HD2  LEU  73          3HD2      LEU  73  17.899   1.376  -3.665
  608    H    ARG  74           H        ARG  74  17.494   3.927  -1.221
  609    HA   ARG  74           HA       ARG  74  15.986   6.006   0.120
  610   1HB   ARG  74          2HB       ARG  74  17.979   4.176   0.882
  611   2HB   ARG  74          1HB       ARG  74  18.716   5.766   1.023
  612   1HG   ARG  74          2HG       ARG  74  17.377   6.392   2.736
  613   2HG   ARG  74          1HG       ARG  74  16.004   5.447   2.156
  614   1HD   ARG  74          2HD       ARG  74  17.480   3.404   2.784
  615   2HD   ARG  74          1HD       ARG  74  18.362   4.568   3.774
  616    HE   ARG  74           HE       ARG  74  15.828   3.422   4.350
  617   1HH1  ARG  74          2HH1      ARG  74  17.683   6.351   4.670
  618   2HH1  ARG  74          1HH1      ARG  74  16.833   6.889   6.080
  619   1HH2  ARG  74          1HH2      ARG  74  14.702   4.120   6.206
  620   2HH2  ARG  74          2HH2      ARG  74  15.138   5.620   6.954
  621    H    GLY  75           H        GLY  75  18.484   5.757  -2.248
  622   1HA   GLY  75          2HA       GLY  75  18.904   7.679  -3.656
  623   2HA   GLY  75          1HA       GLY  75  18.719   8.696  -2.235
  624    H    GLY  76           HN       GLY  76  20.846   6.558  -3.986
  625   1HA   GLY  76          2HA       GLY  76  23.102   7.698  -2.482
  626   2HA   GLY  76          1HA       GLY  76  22.990   5.954  -2.667
  Start of MODEL   10
    1   2H    MET   1          2H        MET   1 -12.307  -2.482   3.239
    2   3H    MET   1          3H        MET   1 -13.953  -2.876   3.249
    3   1H    MET   1          1H        MET   1 -13.457  -1.321   2.800
    4    HA   MET   1           HA       MET   1 -14.017  -3.323   1.095
    5   1HB   MET   1          2HB       MET   1 -13.066  -1.893  -0.608
    6   2HB   MET   1          1HB       MET   1 -13.841  -0.894   0.614
    7   1HG   MET   1          2HG       MET   1 -11.937   0.130   1.140
    8   2HG   MET   1          1HG       MET   1 -11.025  -1.378   1.152
    9   1HE   MET   1          1HE       MET   1 -11.632   1.938  -0.709
   10   2HE   MET   1          2HE       MET   1 -12.943   0.939  -1.335
   11   3HE   MET   1          3HE       MET   1 -11.639   1.455  -2.405
   12    H    GLN   2           H        GLN   2 -12.997  -4.891  -0.037
   13    HA   GLN   2           HA       GLN   2 -10.302  -5.597   0.862
   14   1HB   GLN   2          2HB       GLN   2 -12.665  -7.087   0.227
   15   2HB   GLN   2          1HB       GLN   2 -11.361  -7.607  -0.831
   16   1HG   GLN   2          2HG       GLN   2  -9.950  -8.037   1.113
   17   2HG   GLN   2          1HG       GLN   2 -11.256  -7.514   2.176
   18   1HE2  GLN   2          1HE2      GLN   2 -12.721  -8.958   2.806
   19   2HE2  GLN   2          2HE2      GLN   2 -12.857 -10.570   2.201
   20    H    VAL   3           H        VAL   3  -8.682  -4.927  -0.346
   21    HA   VAL   3           HA       VAL   3  -9.050  -4.739  -3.263
   22    HB   VAL   3           HB       VAL   3  -7.087  -3.201  -3.227
   23   1HG1  VAL   3          1HG1      VAL   3  -9.705  -2.640  -1.988
   24   2HG1  VAL   3          2HG1      VAL   3  -8.929  -1.902  -3.388
   25   3HG1  VAL   3          3HG1      VAL   3  -8.458  -1.415  -1.760
   26   1HG2  VAL   3          1HG2      VAL   3  -5.826  -2.988  -1.412
   27   2HG2  VAL   3          2HG2      VAL   3  -6.860  -4.143  -0.573
   28   3HG2  VAL   3          3HG2      VAL   3  -7.215  -2.419  -0.487
   29    H    PHE   4           H        PHE   4  -6.875  -4.995  -4.466
   30    HA   PHE   4           HA       PHE   4  -5.392  -7.261  -3.306
   31   1HB   PHE   4          2HB       PHE   4  -5.904  -6.961  -6.258
   32   2HB   PHE   4          1HB       PHE   4  -5.361  -8.388  -5.383
   33    HD1  PHE   4           HD1      PHE   4  -6.894  -9.968  -4.599
   34    HD2  PHE   4           HD2      PHE   4  -8.272  -6.137  -5.867
   35    HE1  PHE   4           HE1      PHE   4  -9.223 -10.759  -4.442
   36    HE2  PHE   4           HE2      PHE   4 -10.604  -6.920  -5.711
   37    HZ   PHE   4           HZ       PHE   4 -11.082  -9.233  -4.998
   38    H    LEU   5           H        LEU   5  -3.190  -7.439  -3.854
   39    HA   LEU   5           HA       LEU   5  -2.010  -5.056  -5.120
   40   1HB   LEU   5          2HB       LEU   5  -1.856  -5.389  -2.494
   41   2HB   LEU   5          1HB       LEU   5  -0.543  -6.462  -2.940
   42    HG   LEU   5           HG       LEU   5   0.079  -4.236  -4.389
   43   1HD1  LEU   5          1HD1      LEU   5  -0.925  -2.423  -3.603
   44   2HD1  LEU   5          2HD1      LEU   5  -0.236  -2.741  -2.011
   45   3HD1  LEU   5          3HD1      LEU   5  -1.818  -3.398  -2.436
   46   1HD2  LEU   5          1HD2      LEU   5   1.653  -5.497  -3.085
   47   2HD2  LEU   5          2HD2      LEU   5   0.895  -4.970  -1.582
   48   3HD2  LEU   5          3HD2      LEU   5   1.741  -3.804  -2.599
   49    H    LYS   6           H        LYS   6  -0.433  -5.437  -6.591
   50    HA   LYS   6           HA       LYS   6   0.269  -8.252  -7.059
   51   1HB   LYS   6          2HB       LYS   6  -0.903  -6.845  -8.853
   52   2HB   LYS   6          1HB       LYS   6   0.632  -6.007  -9.030
   53   1HG   LYS   6          2HG       LYS   6   1.722  -7.935  -9.805
   54   2HG   LYS   6          1HG       LYS   6   0.413  -8.988  -9.266
   55   1HD   LYS   6          2HD       LYS   6   0.433  -8.639 -11.717
   56   2HD   LYS   6          1HD       LYS   6  -1.063  -8.097 -10.951
   57   1HE   LYS   6          2HE       LYS   6  -0.276  -5.796 -11.005
   58   2HE   LYS   6          1HE       LYS   6   1.254  -6.319 -11.708
   59   1HZ   LYS   6          1HZ       LYS   6   0.324  -6.088 -13.689
   60   2HZ   LYS   6          2HZ       LYS   6  -1.184  -5.736 -13.008
   61   3HZ   LYS   6          3HZ       LYS   6  -0.752  -7.341 -13.322
   62    H    THR   7           H        THR   7   2.351  -8.918  -7.224
   63    HA   THR   7           HA       THR   7   4.389  -7.022  -6.299
   64    HB   THR   7           HB       THR   7   5.748  -8.976  -5.749
   65    HG1  THR   7           HG1      THR   7   5.086 -11.018  -6.235
   66   1HG2  THR   7          1HG2      THR   7   3.304  -9.966  -4.541
   67   2HG2  THR   7          2HG2      THR   7   3.402  -8.206  -4.478
   68   3HG2  THR   7          3HG2      THR   7   4.696  -9.188  -3.789
   69    H    LEU   8           H        LEU   8   6.696  -7.844  -7.146
   70    HA   LEU   8           HA       LEU   8   6.652  -7.313  -9.977
   71   1HB   LEU   8          2HB       LEU   8   9.095  -8.026  -8.383
   72   2HB   LEU   8          1HB       LEU   8   8.983  -7.032  -9.822
   73    HG   LEU   8           HG       LEU   8   7.697  -6.162  -7.253
   74   1HD1  LEU   8          1HD1      LEU   8  10.541  -6.398  -7.817
   75   2HD1  LEU   8          2HD1      LEU   8   9.708  -6.069  -6.298
   76   3HD1  LEU   8          3HD1      LEU   8  10.050  -4.751  -7.419
   77   1HD2  LEU   8          1HD2      LEU   8   8.464  -4.918  -9.851
   78   2HD2  LEU   8          2HD2      LEU   8   8.436  -3.922  -8.395
   79   3HD2  LEU   8          3HD2      LEU   8   6.974  -4.758  -8.919
   80    H    THR   9           H        THR   9   6.427 -10.083  -8.125
   81    HA   THR   9           HA       THR   9   7.762 -11.779 -10.106
   82    HB   THR   9           HB       THR   9   7.125 -13.620  -8.414
   83    HG1  THR   9           HG1      THR   9   6.311 -12.994  -6.541
   84   1HG2  THR   9          1HG2      THR   9   9.391 -12.374  -8.781
   85   2HG2  THR   9          2HG2      THR   9   9.165 -13.380  -7.350
   86   3HG2  THR   9          3HG2      THR   9   9.013 -11.628  -7.228
   87    H    GLY  10           H        GLY  10   4.706 -10.572  -9.378
   88   1HA   GLY  10          2HA       GLY  10   2.832 -10.942 -10.779
   89   2HA   GLY  10          1HA       GLY  10   3.489 -12.516 -11.199
   90    H    LYS  11           H        LYS  11   3.410 -11.549  -7.873
   91    HA   LYS  11           HA       LYS  11   1.426 -13.634  -7.356
   92   1HB   LYS  11          2HB       LYS  11   3.243 -14.024  -5.973
   93   2HB   LYS  11          1HB       LYS  11   3.556 -12.311  -5.726
   94   1HG   LYS  11          2HG       LYS  11   1.914 -12.111  -4.104
   95   2HG   LYS  11          1HG       LYS  11   1.073 -13.569  -4.635
   96   1HD   LYS  11          2HD       LYS  11   2.238 -13.943  -2.521
   97   2HD   LYS  11          1HD       LYS  11   2.918 -14.941  -3.808
   98   1HE   LYS  11          2HE       LYS  11   4.880 -13.763  -3.872
   99   2HE   LYS  11          1HE       LYS  11   4.129 -12.272  -3.305
  100   1HZ   LYS  11          1HZ       LYS  11   4.703 -12.757  -1.235
  101   2HZ   LYS  11          2HZ       LYS  11   5.580 -14.083  -1.811
  102   3HZ   LYS  11          3HZ       LYS  11   3.976 -14.283  -1.315
  103    H    THR  12           H        THR  12  -0.576 -13.216  -6.640
  104    HA   THR  12           HA       THR  12  -1.312 -10.408  -6.230
  105    HB   THR  12           HB       THR  12  -3.218 -12.726  -6.536
  106    HG1  THR  12           HG1      THR  12  -1.539 -12.011  -8.356
  107   1HG2  THR  12          1HG2      THR  12  -4.779 -10.992  -7.248
  108   2HG2  THR  12          2HG2      THR  12  -3.526  -9.766  -7.056
  109   3HG2  THR  12          3HG2      THR  12  -4.141 -10.627  -5.645
  110    H    VAL  13           H        VAL  13  -1.548  -9.689  -4.224
  111    HA   VAL  13           HA       VAL  13  -2.201 -11.622  -2.100
  112    HB   VAL  13           HB       VAL  13  -1.252  -9.839  -0.553
  113   1HG1  VAL  13          1HG1      VAL  13   0.887 -10.809  -2.391
  114   2HG1  VAL  13          2HG1      VAL  13  -0.115 -11.983  -1.539
  115   3HG1  VAL  13          3HG1      VAL  13   0.833 -10.807  -0.629
  116   1HG2  VAL  13          1HG2      VAL  13   0.482  -8.762  -2.613
  117   2HG2  VAL  13          2HG2      VAL  13  -0.411  -7.932  -1.340
  118   3HG2  VAL  13          3HG2      VAL  13  -1.207  -8.325  -2.863
  119    H    THR  14           H        THR  14  -3.693 -11.022  -0.480
  120    HA   THR  14           HA       THR  14  -5.563  -8.912  -1.332
  121    HB   THR  14           HB       THR  14  -6.775 -10.599   0.611
  122    HG1  THR  14           HG1      THR  14  -6.644 -12.592  -0.628
  123   1HG2  THR  14          1HG2      THR  14  -7.277 -10.592  -2.359
  124   2HG2  THR  14          2HG2      THR  14  -7.791  -9.280  -1.300
  125   3HG2  THR  14          3HG2      THR  14  -8.429 -10.907  -1.062
  126    H    ILE  15           H        ILE  15  -5.861  -7.211  -0.057
  127    HA   ILE  15           HA       ILE  15  -5.167  -7.422   2.793
  128    HB   ILE  15           HB       ILE  15  -4.451  -5.067   1.042
  129   1HG1  ILE  15          2HG1      ILE  15  -2.636  -7.138   2.297
  130   2HG1  ILE  15          1HG1      ILE  15  -3.064  -7.081   0.590
  131   1HG2  ILE  15          1HG2      ILE  15  -3.147  -4.392   3.082
  132   2HG2  ILE  15          2HG2      ILE  15  -4.003  -5.662   3.958
  133   3HG2  ILE  15          3HG2      ILE  15  -4.901  -4.319   3.249
  134   1HD1  ILE  15          1HD1      ILE  15  -1.965  -4.585   1.642
  135   2HD1  ILE  15          2HD1      ILE  15  -1.597  -5.456   0.154
  136   3HD1  ILE  15          3HD1      ILE  15  -0.856  -5.955   1.676
  137    H    GLU  16           H        GLU  16  -6.408  -6.174   4.192
  138    HA   GLU  16           HA       GLU  16  -8.877  -5.133   3.013
  139   1HB   GLU  16          2HB       GLU  16  -9.022  -6.872   4.787
  140   2HB   GLU  16          1HB       GLU  16  -8.262  -5.750   5.907
  141   1HG   GLU  16          2HG       GLU  16 -10.687  -4.812   4.495
  142   2HG   GLU  16          1HG       GLU  16 -10.895  -6.053   5.732
  143    H    VAL  17           H        VAL  17  -9.332  -3.040   2.974
  144    HA   VAL  17           HA       VAL  17  -8.026  -1.228   4.858
  145    HB   VAL  17           HB       VAL  17  -7.218   0.280   3.253
  146   1HG1  VAL  17          1HG1      VAL  17  -6.672  -2.487   2.183
  147   2HG1  VAL  17          2HG1      VAL  17  -5.793  -1.675   3.480
  148   3HG1  VAL  17          3HG1      VAL  17  -5.718  -1.045   1.835
  149   1HG2  VAL  17          1HG2      VAL  17  -8.504   0.696   1.481
  150   2HG2  VAL  17          2HG2      VAL  17  -9.267  -0.893   1.570
  151   3HG2  VAL  17          3HG2      VAL  17  -7.739  -0.695   0.712
  152    H    GLU  18           H        GLU  18  -8.990   1.065   4.557
  153    HA   GLU  18           HA       GLU  18 -11.820   0.891   3.788
  154   1HB   GLU  18          2HB       GLU  18 -10.736   1.994   6.383
  155   2HB   GLU  18          1HB       GLU  18 -12.384   2.242   5.821
  156   1HG   GLU  18          2HG       GLU  18 -12.872  -0.079   5.980
  157   2HG   GLU  18          1HG       GLU  18 -11.179  -0.475   6.267
  158    HA   PRO  19           HA       PRO  19 -11.110   4.647   1.601
  159   1HB   PRO  19          2HB       PRO  19 -13.592   5.814   1.983
  160   2HB   PRO  19          1HB       PRO  19 -13.218   4.621   0.736
  161   1HG   PRO  19          2HG       PRO  19 -14.512   4.239   3.403
  162   2HG   PRO  19          1HG       PRO  19 -14.898   3.478   1.848
  163   1HD   PRO  19          2HD       PRO  19 -13.529   2.171   3.749
  164   2HD   PRO  19          1HD       PRO  19 -13.159   1.952   2.025
  165    H    SER  20           H        SER  20  -9.582   5.429   3.158
  166    HA   SER  20           HA       SER  20  -9.765   7.933   4.029
  167   1HB   SER  20          2HB       SER  20 -10.315   7.573   6.572
  168   2HB   SER  20          1HB       SER  20 -11.621   7.785   5.406
  169    HG   SER  20           HG       SER  20 -11.810   5.964   6.921
  170    H    ASP  21           H        ASP  21  -8.391   4.872   4.306
  171    HA   ASP  21           HA       ASP  21  -6.543   5.323   6.407
  172   1HB   ASP  21          2HB       ASP  21  -6.880   3.320   4.234
  173   2HB   ASP  21          1HB       ASP  21  -5.277   3.465   4.947
  174    H    THR  22           H        THR  22  -4.223   5.619   6.178
  175    HA   THR  22           HA       THR  22  -3.608   7.473   3.992
  176    HB   THR  22           HB       THR  22  -1.886   8.391   5.347
  177    HG1  THR  22           HG1      THR  22  -1.675   7.281   7.562
  178   1HG2  THR  22          1HG2      THR  22  -3.914   9.301   6.075
  179   2HG2  THR  22          2HG2      THR  22  -3.130   8.784   7.568
  180   3HG2  THR  22          3HG2      THR  22  -4.411   7.801   6.859
  181    H    VAL  23           H        VAL  23  -1.582   7.356   2.900
  182    HA   VAL  23           HA       VAL  23  -0.888   4.901   1.880
  183    HB   VAL  23           HB       VAL  23   0.781   7.401   2.123
  184   1HG1  VAL  23          1HG1      VAL  23   1.750   5.872  -0.003
  185   2HG1  VAL  23          2HG1      VAL  23   1.599   4.750   1.350
  186   3HG1  VAL  23          3HG1      VAL  23   2.564   6.216   1.523
  187   1HG2  VAL  23          1HG2      VAL  23  -0.770   8.018   0.605
  188   2HG2  VAL  23          2HG2      VAL  23  -1.200   6.355   0.209
  189   3HG2  VAL  23          3HG2      VAL  23   0.239   7.086  -0.500
  190    H    GLU  24           H        GLU  24   0.650   6.638   4.567
  191    HA   GLU  24           HA       GLU  24   2.761   4.917   5.070
  192   1HB   GLU  24          2HB       GLU  24   1.278   6.947   6.579
  193   2HB   GLU  24          1HB       GLU  24   1.999   5.705   7.595
  194   1HG   GLU  24          2HG       GLU  24   4.067   6.278   5.948
  195   2HG   GLU  24          1HG       GLU  24   3.261   7.845   6.035
  196    H    ASN  25           H        ASN  25  -0.519   4.815   6.449
  197    HA   ASN  25           HA       ASN  25  -0.173   2.533   8.024
  198   1HB   ASN  25          2HB       ASN  25  -2.483   4.022   6.917
  199   2HB   ASN  25          1HB       ASN  25  -2.795   2.355   7.396
  200   1HD2  ASN  25          1HD2      ASN  25  -3.756   4.852   8.553
  201   2HD2  ASN  25          2HD2      ASN  25  -3.268   4.830  10.210
  202    H    PHE  26           H        PHE  26  -1.225   2.866   4.658
  203    HA   PHE  26           HA       PHE  26  -1.908   0.229   4.135
  204   1HB   PHE  26          2HB       PHE  26  -2.039   2.369   2.636
  205   2HB   PHE  26          1HB       PHE  26  -0.450   1.853   2.078
  206    HD1  PHE  26           HD1      PHE  26  -0.799  -1.089   2.090
  207    HD2  PHE  26           HD2      PHE  26  -3.409   2.021   0.786
  208    HE1  PHE  26           HE1      PHE  26  -1.861  -2.651   0.505
  209    HE2  PHE  26           HE2      PHE  26  -4.477   0.464  -0.800
  210    HZ   PHE  26           HZ       PHE  26  -3.703  -1.874  -0.941
  211    H    LYS  27           H        LYS  27   1.249   1.793   3.571
  212    HA   LYS  27           HA       LYS  27   2.613  -0.523   2.786
  213   1HB   LYS  27          2HB       LYS  27   3.731   1.919   4.175
  214   2HB   LYS  27          1HB       LYS  27   4.664   0.727   3.280
  215   1HG   LYS  27          2HG       LYS  27   3.940   1.484   1.242
  216   2HG   LYS  27          1HG       LYS  27   2.439   2.140   1.899
  217   1HD   LYS  27          2HD       LYS  27   3.365   4.138   2.293
  218   2HD   LYS  27          1HD       LYS  27   4.812   3.417   3.001
  219   1HE   LYS  27          2HE       LYS  27   5.081   2.820   0.336
  220   2HE   LYS  27          1HE       LYS  27   4.340   4.419   0.299
  221   1HZ   LYS  27          1HZ       LYS  27   6.201   4.830   2.126
  222   2HZ   LYS  27          2HZ       LYS  27   6.487   5.046   0.473
  223   3HZ   LYS  27          3HZ       LYS  27   6.977   3.618   1.237
  224    H    ALA  28           H        ALA  28   1.731   0.673   5.923
  225    HA   ALA  28           HA       ALA  28   3.581  -0.794   7.476
  226   1HB   ALA  28          1HB       ALA  28   1.608   1.069   7.986
  227   2HB   ALA  28          2HB       ALA  28   2.600   0.246   9.189
  228   3HB   ALA  28          3HB       ALA  28   1.011  -0.394   8.769
  229    H    LYS  29           H        LYS  29   0.326  -1.520   6.298
  230    HA   LYS  29           HA       LYS  29   0.118  -4.026   7.638
  231   1HB   LYS  29          2HB       LYS  29  -1.386  -2.923   5.258
  232   2HB   LYS  29          1HB       LYS  29  -1.812  -4.402   6.109
  233   1HG   LYS  29          2HG       LYS  29  -2.588  -3.285   7.953
  234   2HG   LYS  29          1HG       LYS  29  -1.574  -1.870   7.657
  235   1HD   LYS  29          2HD       LYS  29  -2.974  -1.195   5.812
  236   2HD   LYS  29          1HD       LYS  29  -3.933  -2.670   5.956
  237   1HE   LYS  29          2HE       LYS  29  -3.671  -0.797   8.276
  238   2HE   LYS  29          1HE       LYS  29  -4.826  -0.462   6.985
  239   1HZ   LYS  29          1HZ       LYS  29  -6.212  -1.815   8.034
  240   2HZ   LYS  29          2HZ       LYS  29  -5.020  -2.319   9.124
  241   3HZ   LYS  29          3HZ       LYS  29  -5.195  -3.110   7.640
  242    H    ILE  30           H        ILE  30   1.112  -3.025   4.402
  243    HA   ILE  30           HA       ILE  30   1.320  -5.561   3.234
  244    HB   ILE  30           HB       ILE  30   3.040  -3.151   2.646
  245   1HG1  ILE  30          2HG1      ILE  30   0.289  -3.950   1.705
  246   2HG1  ILE  30          1HG1      ILE  30   0.796  -2.423   2.421
  247   1HG2  ILE  30          1HG2      ILE  30   2.259  -5.298   0.707
  248   2HG2  ILE  30          2HG2      ILE  30   3.676  -5.470   1.744
  249   3HG2  ILE  30          3HG2      ILE  30   3.576  -4.130   0.601
  250   1HD1  ILE  30          1HD1      ILE  30   2.134  -1.968   0.397
  251   2HD1  ILE  30          2HD1      ILE  30   0.405  -2.111   0.082
  252   3HD1  ILE  30          3HD1      ILE  30   1.488  -3.445  -0.319
  253    H    GLN  31           H        GLN  31   3.578  -3.714   5.207
  254    HA   GLN  31           HA       GLN  31   5.827  -5.375   4.831
  255   1HB   GLN  31          2HB       GLN  31   6.130  -3.167   5.718
  256   2HB   GLN  31          1HB       GLN  31   5.068  -3.507   7.077
  257   1HG   GLN  31          2HG       GLN  31   7.027  -5.450   7.258
  258   2HG   GLN  31          1HG       GLN  31   7.901  -4.000   6.765
  259   1HE2  GLN  31          1HE2      GLN  31   8.899  -4.183   8.873
  260   2HE2  GLN  31          2HE2      GLN  31   8.091  -3.526  10.253
  261    H    ASP  32           H        ASP  32   3.121  -5.495   7.073
  262    HA   ASP  32           HA       ASP  32   4.186  -7.457   8.803
  263   1HB   ASP  32          2HB       ASP  32   2.080  -5.900   9.040
  264   2HB   ASP  32          1HB       ASP  32   1.243  -7.257   8.292
  265    H    LYS  33           H        LYS  33   3.201  -7.653   5.594
  266    HA   LYS  33           HA       LYS  33   2.561 -10.510   5.802
  267   1HB   LYS  33          2HB       LYS  33   2.002  -8.415   3.734
  268   2HB   LYS  33          1HB       LYS  33   1.991 -10.116   3.287
  269   1HG   LYS  33          2HG       LYS  33   0.287 -10.535   5.011
  270   2HG   LYS  33          1HG       LYS  33   0.271  -8.811   5.386
  271   1HD   LYS  33          2HD       LYS  33  -1.243  -8.512   3.786
  272   2HD   LYS  33          1HD       LYS  33  -0.050  -9.033   2.595
  273   1HE   LYS  33          2HE       LYS  33  -0.845 -11.423   3.561
  274   2HE   LYS  33          1HE       LYS  33  -2.329 -10.493   3.768
  275   1HZ   LYS  33          1HZ       LYS  33  -1.995  -9.811   1.364
  276   2HZ   LYS  33          2HZ       LYS  33  -2.468 -11.410   1.640
  277   3HZ   LYS  33          3HZ       LYS  33  -0.857 -11.059   1.266
  278    H    GLU  34           H        GLU  34   4.560  -8.280   3.863
  279    HA   GLU  34           HA       GLU  34   6.211 -10.556   3.034
  280   1HB   GLU  34          2HB       GLU  34   5.877  -7.758   1.983
  281   2HB   GLU  34          1HB       GLU  34   7.251  -8.750   1.515
  282   1HG   GLU  34          2HG       GLU  34   5.138 -10.435   1.092
  283   2HG   GLU  34          1HG       GLU  34   4.472  -8.863   0.651
  284    H    GLY  35           H        GLY  35   6.265  -7.706   5.008
  285   1HA   GLY  35          2HA       GLY  35   7.799  -7.158   6.663
  286   2HA   GLY  35          1HA       GLY  35   8.799  -8.503   6.136
  287    H    ILE  36           H        ILE  36   7.646  -5.960   4.007
  288    HA   ILE  36           HA       ILE  36  10.433  -5.217   3.498
  289    HB   ILE  36           HB       ILE  36   7.968  -4.529   1.895
  290   1HG1  ILE  36          2HG1      ILE  36  10.100  -6.558   1.219
  291   2HG1  ILE  36          1HG1      ILE  36   8.590  -6.987   2.018
  292   1HG2  ILE  36          1HG2      ILE  36   9.486  -3.797   0.181
  293   2HG2  ILE  36          2HG2      ILE  36  10.877  -4.302   1.142
  294   3HG2  ILE  36          3HG2      ILE  36   9.873  -2.956   1.682
  295   1HD1  ILE  36          1HD1      ILE  36   7.531  -7.056   0.081
  296   2HD1  ILE  36          2HD1      ILE  36   9.080  -6.797  -0.722
  297   3HD1  ILE  36          3HD1      ILE  36   8.054  -5.420  -0.319
  298    HA   PRO  37           HA       PRO  37   9.954  -1.519   5.932
  299   1HB   PRO  37          2HB       PRO  37  12.137  -0.584   4.141
  300   2HB   PRO  37          1HB       PRO  37  12.056  -0.596   5.906
  301   1HG   PRO  37          2HG       PRO  37  13.556  -2.367   4.595
  302   2HG   PRO  37          1HG       PRO  37  12.653  -2.832   6.049
  303   1HD   PRO  37          2HD       PRO  37  12.048  -3.395   3.179
  304   2HD   PRO  37          1HD       PRO  37  11.801  -4.419   4.608
  305    HA   PRO  38           HA       PRO  38   7.245   0.869   3.340
  306   1HB   PRO  38          2HB       PRO  38   7.935   3.011   5.288
  307   2HB   PRO  38          1HB       PRO  38   6.349   2.426   4.772
  308   1HG   PRO  38          2HG       PRO  38   7.332   1.775   7.163
  309   2HG   PRO  38          1HG       PRO  38   6.412   0.602   6.203
  310   1HD   PRO  38          2HD       PRO  38   9.357   0.789   6.658
  311   2HD   PRO  38          1HD       PRO  38   8.327  -0.649   6.505
  312    H    ASP  39           H        ASP  39  10.287   2.266   4.522
  313    HA   ASP  39           HA       ASP  39  10.496   4.394   2.739
  314   1HB   ASP  39          2HB       ASP  39  13.033   4.034   3.092
  315   2HB   ASP  39          1HB       ASP  39  12.042   4.407   4.499
  316    H    GLN  40           H        GLN  40  10.681   1.047   2.149
  317    HA   GLN  40           HA       GLN  40  11.892   1.530  -0.494
  318   1HB   GLN  40          2HB       GLN  40  12.041  -0.788   1.388
  319   2HB   GLN  40          1HB       GLN  40  12.176  -1.084  -0.340
  320   1HG   GLN  40          2HG       GLN  40  14.019   0.629  -0.371
  321   2HG   GLN  40          1HG       GLN  40  13.967   0.593   1.391
  322   1HE2  GLN  40          1HE2      GLN  40  14.896  -1.069   2.465
  323   2HE2  GLN  40          2HE2      GLN  40  15.750  -2.362   1.700
  324    H    GLN  41           H        GLN  41   8.992   1.421   0.756
  325    HA   GLN  41           HA       GLN  41   7.829  -0.483  -1.144
  326   1HB   GLN  41          2HB       GLN  41   6.871   0.812   1.371
  327   2HB   GLN  41          1HB       GLN  41   5.681   0.301   0.181
  328   1HG   GLN  41          2HG       GLN  41   6.862  -1.966   0.252
  329   2HG   GLN  41          1HG       GLN  41   7.622  -1.372   1.728
  330   1HE2  GLN  41          1HE2      GLN  41   6.647  -2.062   3.475
  331   2HE2  GLN  41          2HE2      GLN  41   4.950  -2.320   3.670
  332    H    ARG  42           H        ARG  42   7.303   0.287  -3.066
  333    HA   ARG  42           HA       ARG  42   6.377   3.076  -3.269
  334   1HB   ARG  42          2HB       ARG  42   8.489   2.526  -4.485
  335   2HB   ARG  42          1HB       ARG  42   7.583   1.373  -5.456
  336   1HG   ARG  42          2HG       ARG  42   6.153   3.225  -6.251
  337   2HG   ARG  42          1HG       ARG  42   7.169   4.354  -5.351
  338   1HD   ARG  42          2HD       ARG  42   9.050   3.020  -6.748
  339   2HD   ARG  42          1HD       ARG  42   7.695   2.919  -7.873
  340    HE   ARG  42           HE       ARG  42   8.229   5.559  -6.816
  341   1HH1  ARG  42          2HH1      ARG  42   8.815   3.268  -9.373
  342   2HH1  ARG  42          1HH1      ARG  42   9.277   4.475 -10.525
  343   1HH2  ARG  42          1HH2      ARG  42   8.836   7.157  -8.326
  344   2HH2  ARG  42          2HH2      ARG  42   9.290   6.687  -9.930
  345    H    LEU  43           H        LEU  43   4.245   3.194  -3.438
  346    HA   LEU  43           HA       LEU  43   2.798   1.028  -4.790
  347   1HB   LEU  43          2HB       LEU  43   1.718   3.230  -3.031
  348   2HB   LEU  43          1HB       LEU  43   0.806   1.876  -3.672
  349    HG   LEU  43           HG       LEU  43   2.924   1.843  -1.538
  350   1HD1  LEU  43          1HD1      LEU  43   0.910   2.200  -0.498
  351   2HD1  LEU  43          2HD1      LEU  43   0.976   0.437  -0.506
  352   3HD1  LEU  43          3HD1      LEU  43   0.000   1.288  -1.703
  353   1HD2  LEU  43          1HD2      LEU  43   3.571  -0.014  -2.781
  354   2HD2  LEU  43          2HD2      LEU  43   1.915  -0.402  -3.247
  355   3HD2  LEU  43          3HD2      LEU  43   2.455  -0.688  -1.593
  356    H    ILE  44           H        ILE  44   2.056   1.333  -6.772
  357    HA   ILE  44           HA       ILE  44   1.656   4.097  -7.717
  358    HB   ILE  44           HB       ILE  44   2.259   1.786  -9.541
  359   1HG1  ILE  44          2HG1      ILE  44   4.049   2.158  -7.739
  360   2HG1  ILE  44          1HG1      ILE  44   4.579   2.186  -9.418
  361   1HG2  ILE  44          1HG2      ILE  44   1.388   3.650 -10.697
  362   2HG2  ILE  44          2HG2      ILE  44   3.134   3.697 -10.949
  363   3HG2  ILE  44          3HG2      ILE  44   2.382   4.779  -9.776
  364   1HD1  ILE  44          1HD1      ILE  44   4.182   4.510  -7.564
  365   2HD1  ILE  44          2HD1      ILE  44   4.384   4.695  -9.306
  366   3HD1  ILE  44          3HD1      ILE  44   5.669   3.969  -8.342
  367    H    PHE  45           H        PHE  45  -0.392   4.592  -8.110
  368    HA   PHE  45           HA       PHE  45  -2.221   2.441  -8.952
  369   1HB   PHE  45          2HB       PHE  45  -2.579   3.331  -6.604
  370   2HB   PHE  45          1HB       PHE  45  -3.031   4.864  -7.343
  371    HD1  PHE  45           HD1      PHE  45  -4.993   3.834  -5.659
  372    HD2  PHE  45           HD2      PHE  45  -4.130   2.659  -9.667
  373    HE1  PHE  45           HE1      PHE  45  -7.309   3.026  -5.917
  374    HE2  PHE  45           HE2      PHE  45  -6.444   1.849  -9.932
  375    HZ   PHE  45           HZ       PHE  45  -8.035   2.033  -8.055
  376    H    ALA  46           H        ALA  46  -2.142   2.833 -11.134
  377    HA   ALA  46           HA       ALA  46  -2.730   3.791 -13.114
  378   1HB   ALA  46          1HB       ALA  46  -4.243   6.058 -12.305
  379   2HB   ALA  46          2HB       ALA  46  -4.649   4.709 -11.243
  380   3HB   ALA  46          3HB       ALA  46  -4.814   4.537 -12.991
  381    H    GLY  47           H        GLY  47  -0.273   4.515 -12.024
  382   1HA   GLY  47          2HA       GLY  47   1.397   5.978 -12.715
  383   2HA   GLY  47          1HA       GLY  47   0.160   7.021 -13.403
  384    H    LYS  48           H        LYS  48  -0.961   6.456 -10.424
  385    HA   LYS  48           HA       LYS  48   0.166   8.953  -9.409
  386   1HB   LYS  48          2HB       LYS  48  -2.059   7.358  -8.153
  387   2HB   LYS  48          1HB       LYS  48  -1.696   9.066  -7.948
  388   1HG   LYS  48          2HG       LYS  48  -2.165   8.590 -10.707
  389   2HG   LYS  48          1HG       LYS  48  -3.469   7.843  -9.782
  390   1HD   LYS  48          2HD       LYS  48  -4.297   9.969 -10.004
  391   2HD   LYS  48          1HD       LYS  48  -3.410  10.137  -8.488
  392   1HE   LYS  48          2HE       LYS  48  -1.436  10.879  -9.929
  393   2HE   LYS  48          1HE       LYS  48  -2.606  11.040 -11.238
  394   1HZ   LYS  48          1HZ       LYS  48  -2.009  12.955  -9.418
  395   2HZ   LYS  48          2HZ       LYS  48  -3.446  12.310  -8.802
  396   3HZ   LYS  48          3HZ       LYS  48  -3.402  12.921 -10.378
  397    H    GLN  49           H        GLN  49   2.117   8.505  -8.508
  398    HA   GLN  49           HA       GLN  49   2.655   6.180  -6.963
  399   1HB   GLN  49          2HB       GLN  49   4.508   7.218  -8.021
  400   2HB   GLN  49          1HB       GLN  49   4.117   8.788  -7.333
  401   1HG   GLN  49          2HG       GLN  49   4.686   7.953  -5.108
  402   2HG   GLN  49          1HG       GLN  49   5.091   6.385  -5.806
  403   1HE2  GLN  49          1HE2      GLN  49   7.012   7.462  -4.394
  404   2HE2  GLN  49          2HE2      GLN  49   8.253   8.143  -5.384
  405    H    LEU  50           H        LEU  50   1.192   5.991  -5.294
  406    HA   LEU  50           HA       LEU  50   0.185   7.869  -3.601
  407   1HB   LEU  50          2HB       LEU  50   1.153   5.245  -2.515
  408   2HB   LEU  50          1HB       LEU  50  -0.278   6.153  -2.067
  409    HG   LEU  50           HG       LEU  50   0.161   4.512  -4.554
  410   1HD1  LEU  50          1HD1      LEU  50  -2.290   4.190  -3.022
  411   2HD1  LEU  50          2HD1      LEU  50  -0.838   3.849  -2.080
  412   3HD1  LEU  50          3HD1      LEU  50  -1.137   2.980  -3.585
  413   1HD2  LEU  50          1HD2      LEU  50  -2.348   6.051  -4.040
  414   2HD2  LEU  50          2HD2      LEU  50  -1.733   5.378  -5.550
  415   3HD2  LEU  50          3HD2      LEU  50  -0.989   6.821  -4.860
  416    H    GLU  51           H        GLU  51   0.964   9.247  -2.146
  417    HA   GLU  51           HA       GLU  51   3.762   8.941  -1.300
  418   1HB   GLU  51          2HB       GLU  51   2.085  11.427  -1.007
  419   2HB   GLU  51          1HB       GLU  51   3.837  11.287  -0.965
  420   1HG   GLU  51          2HG       GLU  51   3.611  10.483  -3.400
  421   2HG   GLU  51          1HG       GLU  51   1.995  11.185  -3.317
  422    H    ASP  52           H        ASP  52   4.341   8.971   0.855
  423    HA   ASP  52           HA       ASP  52   2.453   7.991   2.715
  424   1HB   ASP  52          2HB       ASP  52   5.097   9.229   3.460
  425   2HB   ASP  52          1HB       ASP  52   4.231   7.931   4.276
  426    H    GLY  53           H        GLY  53   1.085  10.059   2.003
  427   1HA   GLY  53          2HA       GLY  53   1.011  11.723   4.370
  428   2HA   GLY  53          1HA       GLY  53   1.388  12.584   2.887
  429    H    ARG  54           H        ARG  54  -0.401  10.714   1.331
  430    HA   ARG  54           HA       ARG  54  -2.890  12.104   1.990
  431   1HB   ARG  54          2HB       ARG  54  -2.329  10.501  -0.501
  432   2HB   ARG  54          1HB       ARG  54  -3.574  11.719  -0.254
  433   1HG   ARG  54          2HG       ARG  54  -1.211  13.071   0.242
  434   2HG   ARG  54          1HG       ARG  54  -0.833  12.020  -1.126
  435   1HD   ARG  54          2HD       ARG  54  -2.133  13.184  -2.530
  436   2HD   ARG  54          1HD       ARG  54  -3.426  13.348  -1.343
  437    HE   ARG  54           HE       ARG  54  -1.298  15.227  -1.875
  438   1HH1  ARG  54          2HH1      ARG  54  -3.741  14.169   0.370
  439   2HH1  ARG  54          1HH1      ARG  54  -3.838  15.694   1.184
  440   1HH2  ARG  54          1HH2      ARG  54  -1.416  17.241  -0.809
  441   2HH2  ARG  54          2HH2      ARG  54  -2.518  17.442   0.513
  442    H    THR  55           H        THR  55  -4.859  10.649   1.090
  443    HA   THR  55           HA       THR  55  -4.629   8.035   2.437
  444    HB   THR  55           HB       THR  55  -6.798   8.242   3.353
  445    HG1  THR  55           HG1      THR  55  -7.229  10.740   2.099
  446   1HG2  THR  55          1HG2      THR  55  -4.902  10.415   3.750
  447   2HG2  THR  55          2HG2      THR  55  -5.819   9.487   4.935
  448   3HG2  THR  55          3HG2      THR  55  -6.558  10.879   4.146
  449    H    LEU  56           H        LEU  56  -6.310   6.456   1.738
  450    HA   LEU  56           HA       LEU  56  -6.206   6.000  -1.003
  451   1HB   LEU  56          2HB       LEU  56  -8.382   4.956   0.798
  452   2HB   LEU  56          1HB       LEU  56  -7.729   4.204  -0.646
  453    HG   LEU  56           HG       LEU  56  -6.202   4.592   1.929
  454   1HD1  LEU  56          1HD1      LEU  56  -7.744   2.965   2.482
  455   2HD1  LEU  56          2HD1      LEU  56  -6.400   2.006   1.862
  456   3HD1  LEU  56          3HD1      LEU  56  -7.804   2.317   0.843
  457   1HD2  LEU  56          1HD2      LEU  56  -5.330   2.650  -0.103
  458   2HD2  LEU  56          2HD2      LEU  56  -4.383   3.724   0.927
  459   3HD2  LEU  56          3HD2      LEU  56  -5.145   4.350  -0.536
  460    H    SER  57           H        SER  57  -8.788   7.431   0.953
  461    HA   SER  57           HA       SER  57 -10.732   7.692  -1.020
  462   1HB   SER  57          2HB       SER  57 -11.766   9.335   0.391
  463   2HB   SER  57          1HB       SER  57 -11.017   8.138   1.448
  464    HG   SER  57           HG       SER  57 -10.303   9.981   2.291
  465    H    ASP  58           H        ASP  58  -7.882   9.606  -0.375
  466    HA   ASP  58           HA       ASP  58  -8.560  11.848  -1.962
  467   1HB   ASP  58          2HB       ASP  58  -5.886  10.742  -1.091
  468   2HB   ASP  58          1HB       ASP  58  -6.074  12.267  -1.951
  469    H    TYR  59           H        TYR  59  -7.241   8.710  -2.703
  470    HA   TYR  59           HA       TYR  59  -6.690   9.524  -5.464
  471   1HB   TYR  59          2HB       TYR  59  -6.078   6.907  -4.074
  472   2HB   TYR  59          1HB       TYR  59  -5.555   7.369  -5.689
  473    HD1  TYR  59           HD1      TYR  59  -4.112   9.550  -5.836
  474    HD2  TYR  59           HD2      TYR  59  -4.671   7.284  -2.269
  475    HE1  TYR  59           HE1      TYR  59  -2.064  10.544  -4.891
  476    HE2  TYR  59           HE2      TYR  59  -2.626   8.272  -1.313
  477    HH   TYR  59           HH       TYR  59  -0.998  10.934  -2.802
  478    H    ASN  60           H        ASN  60  -9.363   8.844  -3.994
  479    HA   ASN  60           HA       ASN  60 -11.364   7.901  -4.525
  480   1HB   ASN  60          2HB       ASN  60 -10.685   9.167  -6.692
  481   2HB   ASN  60          1HB       ASN  60 -10.396   7.557  -7.348
  482   1HD2  ASN  60          1HD2      ASN  60 -12.871   9.289  -5.484
  483   2HD2  ASN  60          2HD2      ASN  60 -14.218   8.634  -6.344
  484    H    ILE  61           H        ILE  61  -9.531   6.127  -3.458
  485    HA   ILE  61           HA       ILE  61  -9.328   3.740  -5.018
  486    HB   ILE  61           HB       ILE  61  -8.984   4.146  -2.045
  487   1HG1  ILE  61          2HG1      ILE  61  -7.139   4.315  -4.402
  488   2HG1  ILE  61          1HG1      ILE  61  -7.280   5.399  -3.020
  489   1HG2  ILE  61          1HG2      ILE  61  -7.796   2.002  -2.086
  490   2HG2  ILE  61          2HG2      ILE  61  -8.215   1.810  -3.789
  491   3HG2  ILE  61          3HG2      ILE  61  -9.485   1.826  -2.565
  492   1HD1  ILE  61          1HD1      ILE  61  -6.436   3.252  -1.727
  493   2HD1  ILE  61          2HD1      ILE  61  -5.325   4.384  -2.498
  494   3HD1  ILE  61          3HD1      ILE  61  -5.757   2.880  -3.311
  495    H    GLN  62           H        GLN  62 -11.011   2.500  -5.513
  496    HA   GLN  62           HA       GLN  62 -13.198   2.247  -3.558
  497   1HB   GLN  62          2HB       GLN  62 -13.463   1.542  -6.463
  498   2HB   GLN  62          1HB       GLN  62 -14.723   1.963  -5.312
  499   1HG   GLN  62          2HG       GLN  62 -14.636   4.078  -5.936
  500   2HG   GLN  62          1HG       GLN  62 -12.917   4.155  -5.553
  501   1HE2  GLN  62          1HE2      GLN  62 -11.605   4.592  -7.168
  502   2HE2  GLN  62          2HE2      GLN  62 -11.947   4.375  -8.848
  503    H    LYS  63           H        LYS  63 -14.435   0.100  -3.886
  504    HA   LYS  63           HA       LYS  63 -12.739  -2.007  -3.147
  505   1HB   LYS  63          2HB       LYS  63 -15.161  -1.816  -2.566
  506   2HB   LYS  63          1HB       LYS  63 -15.552  -2.233  -4.229
  507   1HG   LYS  63          2HG       LYS  63 -15.334  -4.399  -3.815
  508   2HG   LYS  63          1HG       LYS  63 -13.743  -4.162  -3.086
  509   1HD   LYS  63          2HD       LYS  63 -14.587  -4.478  -1.055
  510   2HD   LYS  63          1HD       LYS  63 -15.755  -3.179  -1.307
  511   1HE   LYS  63          2HE       LYS  63 -16.894  -5.258  -0.776
  512   2HE   LYS  63          1HE       LYS  63 -17.257  -4.758  -2.428
  513   1HZ   LYS  63          1HZ       LYS  63 -15.129  -6.717  -1.786
  514   2HZ   LYS  63          2HZ       LYS  63 -15.826  -6.395  -3.293
  515   3HZ   LYS  63          3HZ       LYS  63 -16.727  -7.178  -2.096
  516    H    GLU  64           H        GLU  64 -12.188  -3.942  -4.225
  517    HA   GLU  64           HA       GLU  64 -11.578  -5.270  -5.976
  518   1HB   GLU  64          2HB       GLU  64 -13.177  -3.594  -7.881
  519   2HB   GLU  64          1HB       GLU  64 -12.849  -5.320  -7.932
  520   1HG   GLU  64          2HG       GLU  64 -14.246  -5.338  -5.719
  521   2HG   GLU  64          1HG       GLU  64 -14.874  -3.819  -6.355
  522    H    SER  65           H        SER  65 -10.476  -2.458  -5.334
  523    HA   SER  65           HA       SER  65  -9.211  -1.734  -7.842
  524   1HB   SER  65          2HB       SER  65  -9.350  -0.548  -5.105
  525   2HB   SER  65          1HB       SER  65  -7.989  -0.107  -6.137
  526    HG   SER  65           HG       SER  65 -10.619   0.626  -6.298
  527    H    THR  66           H        THR  66  -7.117  -2.106  -8.399
  528    HA   THR  66           HA       THR  66  -5.524  -3.729  -6.524
  529    HB   THR  66           HB       THR  66  -4.821  -3.870  -9.384
  530    HG1  THR  66           HG1      THR  66  -6.611  -5.454  -9.641
  531   1HG2  THR  66          1HG2      THR  66  -4.339  -5.329  -7.057
  532   2HG2  THR  66          2HG2      THR  66  -3.876  -5.773  -8.700
  533   3HG2  THR  66          3HG2      THR  66  -5.397  -6.356  -8.024
  534    H    ILE  67           H        ILE  67  -3.502  -3.086  -6.043
  535    HA   ILE  67           HA       ILE  67  -2.443  -0.741  -7.484
  536    HB   ILE  67           HB       ILE  67  -2.235  -1.444  -4.558
  537   1HG1  ILE  67          2HG1      ILE  67  -2.949   1.197  -4.785
  538   2HG1  ILE  67          1HG1      ILE  67  -3.759   0.479  -6.175
  539   1HG2  ILE  67          1HG2      ILE  67  -0.149  -0.619  -4.702
  540   2HG2  ILE  67          2HG2      ILE  67  -0.971   0.940  -4.765
  541   3HG2  ILE  67          3HG2      ILE  67  -0.450   0.157  -6.257
  542   1HD1  ILE  67          1HD1      ILE  67  -4.386  -1.289  -4.212
  543   2HD1  ILE  67          2HD1      ILE  67  -5.398   0.062  -4.723
  544   3HD1  ILE  67          3HD1      ILE  67  -4.340   0.233  -3.324
  545    H    HIS  68           H        HIS  68  -0.243  -0.679  -7.944
  546    HA   HIS  68           HA       HIS  68   1.080  -3.292  -7.867
  547   1HB   HIS  68          2HB       HIS  68   2.474  -1.241  -9.381
  548   2HB   HIS  68          1HB       HIS  68   1.885  -2.814  -9.905
  549    HD1  HIS  68           HD1      HIS  68   1.667   0.198 -11.266
  550    HD2  HIS  68           HD2      HIS  68  -1.343  -2.190  -9.685
  551    HE1  HIS  68           HE1      HIS  68  -0.456   0.984 -12.358
  552    HE2  HIS  68           HE2      HIS  68  -2.275  -0.423 -11.328
  553    H    LEU  69           H        LEU  69   2.825  -3.670  -6.663
  554    HA   LEU  69           HA       LEU  69   3.952  -1.433  -5.136
  555   1HB   LEU  69          2HB       LEU  69   3.188  -3.175  -3.718
  556   2HB   LEU  69          1HB       LEU  69   3.944  -4.412  -4.706
  557    HG   LEU  69           HG       LEU  69   6.131  -3.011  -3.978
  558   1HD1  LEU  69          1HD1      LEU  69   4.157  -2.733  -1.719
  559   2HD1  LEU  69          2HD1      LEU  69   4.973  -1.435  -2.590
  560   3HD1  LEU  69          3HD1      LEU  69   5.901  -2.520  -1.555
  561   1HD2  LEU  69          1HD2      LEU  69   4.726  -5.267  -2.571
  562   2HD2  LEU  69          2HD2      LEU  69   6.346  -4.728  -2.130
  563   3HD2  LEU  69          3HD2      LEU  69   6.037  -5.359  -3.748
  564    H    VAL  70           H        VAL  70   6.107  -0.919  -5.196
  565    HA   VAL  70           HA       VAL  70   7.880  -2.557  -6.856
  566    HB   VAL  70           HB       VAL  70   8.166   0.362  -7.233
  567   1HG1  VAL  70          1HG1      VAL  70   8.217  -1.925  -9.197
  568   2HG1  VAL  70          2HG1      VAL  70   9.620  -1.364  -8.285
  569   3HG1  VAL  70          3HG1      VAL  70   8.834  -0.290  -9.442
  570   1HG2  VAL  70          1HG2      VAL  70   5.694  -0.051  -7.350
  571   2HG2  VAL  70          2HG2      VAL  70   6.006  -1.126  -8.712
  572   3HG2  VAL  70          3HG2      VAL  70   6.413   0.586  -8.828
  573    H    LEU  71           H        LEU  71  10.049  -2.436  -6.331
  574    HA   LEU  71           HA       LEU  71  10.627  -1.546  -3.660
  575   1HB   LEU  71          2HB       LEU  71  11.860  -3.268  -5.659
  576   2HB   LEU  71          1HB       LEU  71  13.037  -2.271  -4.824
  577    HG   LEU  71           HG       LEU  71  12.412  -4.646  -3.910
  578   1HD1  LEU  71          1HD1      LEU  71  13.057  -2.117  -2.530
  579   2HD1  LEU  71          2HD1      LEU  71  13.944  -3.640  -2.588
  580   3HD1  LEU  71          3HD1      LEU  71  12.558  -3.467  -1.511
  581   1HD2  LEU  71          1HD2      LEU  71  10.536  -3.391  -2.091
  582   2HD2  LEU  71          2HD2      LEU  71  10.429  -4.933  -2.941
  583   3HD2  LEU  71          3HD2      LEU  71   9.928  -3.445  -3.745
  584    H    ARG  72           H        ARG  72  11.637   0.262  -3.030
  585    HA   ARG  72           HA       ARG  72  12.700   2.031  -5.133
  586   1HB   ARG  72          2HB       ARG  72  10.639   2.784  -3.839
  587   2HB   ARG  72          1HB       ARG  72  11.687   2.919  -2.434
  588   1HG   ARG  72          2HG       ARG  72  13.137   4.415  -3.984
  589   2HG   ARG  72          1HG       ARG  72  11.656   4.548  -4.934
  590   1HD   ARG  72          2HD       ARG  72  10.463   5.343  -2.944
  591   2HD   ARG  72          1HD       ARG  72  11.954   5.229  -2.010
  592    HE   ARG  72           HE       ARG  72  12.099   6.906  -4.361
  593   1HH1  ARG  72          2HH1      ARG  72  11.474   6.733  -0.941
  594   2HH1  ARG  72          1HH1      ARG  72  11.791   8.414  -0.665
  595   1HH2  ARG  72          1HH2      ARG  72  12.520   9.122  -4.011
  596   2HH2  ARG  72          2HH2      ARG  72  12.384   9.772  -2.412
  597    H    LEU  73           H        LEU  73  14.659   0.613  -4.728
  598    HA   LEU  73           HA       LEU  73  16.137   1.378  -2.320
  599   1HB   LEU  73          2HB       LEU  73  16.083  -0.990  -2.828
  600   2HB   LEU  73          1HB       LEU  73  16.701  -0.692  -4.441
  601    HG   LEU  73           HG       LEU  73  18.416   0.286  -2.253
  602   1HD1  LEU  73          1HD1      LEU  73  18.375  -1.581  -1.041
  603   2HD1  LEU  73          2HD1      LEU  73  19.154  -2.374  -2.411
  604   3HD1  LEU  73          3HD1      LEU  73  17.399  -2.427  -2.242
  605   1HD2  LEU  73          1HD2      LEU  73  20.107  -0.172  -3.719
  606   2HD2  LEU  73          2HD2      LEU  73  18.779   0.082  -4.851
  607   3HD2  LEU  73          3HD2      LEU  73  19.271  -1.556  -4.424
  608    H    ARG  74           H        ARG  74  15.739   2.468  -5.421
  609    HA   ARG  74           HA       ARG  74  16.854   3.964  -6.722
  610   1HB   ARG  74          2HB       ARG  74  18.035   4.363  -4.035
  611   2HB   ARG  74          1HB       ARG  74  18.958   5.002  -5.388
  612   1HG   ARG  74          2HG       ARG  74  16.050   5.614  -5.217
  613   2HG   ARG  74          1HG       ARG  74  17.175   6.469  -4.158
  614   1HD   ARG  74          2HD       ARG  74  18.446   7.231  -6.075
  615   2HD   ARG  74          1HD       ARG  74  17.410   6.305  -7.160
  616    HE   ARG  74           HE       ARG  74  15.802   8.054  -5.682
  617   1HH1  ARG  74          2HH1      ARG  74  18.271   8.150  -8.136
  618   2HH1  ARG  74          1HH1      ARG  74  17.696   9.623  -8.842
  619   1HH2  ARG  74          1HH2      ARG  74  15.035   9.994  -6.603
  620   2HH2  ARG  74          2HH2      ARG  74  15.855  10.671  -7.969
  621    H    GLY  75           H        GLY  75  17.734   2.798  -8.342
  622   1HA   GLY  75          2HA       GLY  75  19.979   1.053  -7.950
  623   2HA   GLY  75          1HA       GLY  75  19.235   1.467  -9.488
  624    H    GLY  76           HN       GLY  76  21.858   2.009  -7.380
  625   1HA   GLY  76          2HA       GLY  76  22.829   4.169  -9.148
  626   2HA   GLY  76          1HA       GLY  76  23.203   4.093  -7.433
  Start of MODEL   11
    1   2H    MET   1          2H        MET   1 -12.390  -1.258   3.180
    2   3H    MET   1          3H        MET   1 -13.201  -2.641   3.720
    3   1H    MET   1          1H        MET   1 -14.080  -1.316   3.137
    4    HA   MET   1           HA       MET   1 -13.966  -3.151   1.540
    5   1HB   MET   1          2HB       MET   1 -13.453  -1.785  -0.368
    6   2HB   MET   1          1HB       MET   1 -14.212  -0.765   0.845
    7   1HG   MET   1          2HG       MET   1 -12.132   0.217   1.440
    8   2HG   MET   1          1HG       MET   1 -11.237  -0.954   0.472
    9   1HE   MET   1          1HE       MET   1  -9.927   0.747  -0.294
   10   2HE   MET   1          2HE       MET   1 -10.543   2.378  -0.559
   11   3HE   MET   1          3HE       MET   1 -10.187   1.337  -1.936
   12    H    GLN   2           H        GLN   2 -12.736  -4.438   0.151
   13    HA   GLN   2           HA       GLN   2  -9.978  -4.831   1.056
   14   1HB   GLN   2          2HB       GLN   2 -12.092  -6.592   0.417
   15   2HB   GLN   2          1HB       GLN   2 -10.859  -6.827  -0.814
   16   1HG   GLN   2          2HG       GLN   2  -9.208  -7.329   0.847
   17   2HG   GLN   2          1HG       GLN   2 -10.327  -6.913   2.145
   18   1HE2  GLN   2          1HE2      GLN   2  -9.565  -9.146   2.760
   19   2HE2  GLN   2          2HE2      GLN   2 -10.517 -10.473   2.195
   20    H    VAL   3           H        VAL   3  -8.293  -5.265  -0.482
   21    HA   VAL   3           HA       VAL   3  -8.763  -4.284  -3.203
   22    HB   VAL   3           HB       VAL   3  -6.666  -2.937  -3.092
   23   1HG1  VAL   3          1HG1      VAL   3  -8.566  -1.886  -1.034
   24   2HG1  VAL   3          2HG1      VAL   3  -9.083  -2.090  -2.707
   25   3HG1  VAL   3          3HG1      VAL   3  -7.730  -1.026  -2.326
   26   1HG2  VAL   3          1HG2      VAL   3  -6.264  -2.245  -0.538
   27   2HG2  VAL   3          2HG2      VAL   3  -5.366  -3.536  -1.336
   28   3HG2  VAL   3          3HG2      VAL   3  -6.745  -3.926  -0.307
   29    H    PHE   4           H        PHE   4  -6.698  -4.576  -4.553
   30    HA   PHE   4           HA       PHE   4  -5.395  -7.103  -3.781
   31   1HB   PHE   4          2HB       PHE   4  -5.816  -6.320  -6.648
   32   2HB   PHE   4          1HB       PHE   4  -5.555  -7.921  -5.964
   33    HD1  PHE   4           HD1      PHE   4  -7.479  -8.557  -4.155
   34    HD2  PHE   4           HD2      PHE   4  -7.906  -5.912  -7.472
   35    HE1  PHE   4           HE1      PHE   4  -9.913  -8.953  -4.153
   36    HE2  PHE   4           HE2      PHE   4 -10.340  -6.302  -7.476
   37    HZ   PHE   4           HZ       PHE   4 -11.345  -7.825  -5.814
   38    H    LEU   5           H        LEU   5  -3.237  -7.097  -3.736
   39    HA   LEU   5           HA       LEU   5  -1.846  -4.779  -4.901
   40   1HB   LEU   5          2HB       LEU   5  -1.814  -5.427  -2.334
   41   2HB   LEU   5          1HB       LEU   5  -0.561  -6.533  -2.862
   42    HG   LEU   5           HG       LEU   5   0.308  -4.239  -4.012
   43   1HD1  LEU   5          1HD1      LEU   5  -1.312  -3.496  -1.608
   44   2HD1  LEU   5          2HD1      LEU   5  -1.223  -2.707  -3.182
   45   3HD1  LEU   5          3HD1      LEU   5   0.123  -2.572  -2.051
   46   1HD2  LEU   5          1HD2      LEU   5   1.913  -4.122  -2.195
   47   2HD2  LEU   5          2HD2      LEU   5   1.601  -5.803  -2.628
   48   3HD2  LEU   5          3HD2      LEU   5   0.866  -5.114  -1.180
   49    H    LYS   6           H        LYS   6  -0.318  -5.082  -6.411
   50    HA   LYS   6           HA       LYS   6   0.244  -7.848  -7.213
   51   1HB   LYS   6          2HB       LYS   6  -0.623  -5.769  -8.723
   52   2HB   LYS   6          1HB       LYS   6   1.114  -5.630  -8.957
   53   1HG   LYS   6          2HG       LYS   6   0.541  -7.004 -10.693
   54   2HG   LYS   6          1HG       LYS   6   0.961  -8.188  -9.453
   55   1HD   LYS   6          2HD       LYS   6  -1.285  -8.677  -8.997
   56   2HD   LYS   6          1HD       LYS   6  -1.857  -7.220  -9.811
   57   1HE   LYS   6          2HE       LYS   6  -0.671  -9.682 -11.078
   58   2HE   LYS   6          1HE       LYS   6  -2.332  -9.104 -11.212
   59   1HZ   LYS   6          1HZ       LYS   6  -1.406  -8.369 -13.164
   60   2HZ   LYS   6          2HZ       LYS   6   0.105  -8.051 -12.475
   61   3HZ   LYS   6          3HZ       LYS   6  -1.193  -7.007 -12.183
   62    H    THR   7           H        THR   7   2.303  -8.624  -7.443
   63    HA   THR   7           HA       THR   7   4.404  -7.036  -6.152
   64    HB   THR   7           HB       THR   7   5.531  -9.032  -5.637
   65    HG1  THR   7           HG1      THR   7   5.238 -10.924  -6.726
   66   1HG2  THR   7          1HG2      THR   7   2.557  -9.470  -5.455
   67   2HG2  THR   7          2HG2      THR   7   3.647  -8.870  -4.205
   68   3HG2  THR   7          3HG2      THR   7   3.731 -10.557  -4.714
   69    H    LEU   8           H        LEU   8   6.698  -7.806  -7.050
   70    HA   LEU   8           HA       LEU   8   6.877  -6.730  -9.672
   71   1HB   LEU   8          2HB       LEU   8   9.070  -8.277  -8.324
   72   2HB   LEU   8          1HB       LEU   8   9.209  -6.942  -9.452
   73    HG   LEU   8           HG       LEU   8   7.863  -6.357  -6.878
   74   1HD1  LEU   8          1HD1      LEU   8   9.500  -7.110  -5.585
   75   2HD1  LEU   8          2HD1      LEU   8  10.572  -5.945  -6.361
   76   3HD1  LEU   8          3HD1      LEU   8  10.460  -7.591  -6.983
   77   1HD2  LEU   8          1HD2      LEU   8   8.084  -4.541  -8.346
   78   2HD2  LEU   8          2HD2      LEU   8   9.748  -4.960  -8.753
   79   3HD2  LEU   8          3HD2      LEU   8   9.365  -4.319  -7.155
   80    H    THR   9           H        THR   9   6.048  -9.784  -8.612
   81    HA   THR   9           HA       THR   9   6.988 -11.037 -11.107
   82    HB   THR   9           HB       THR   9   6.475 -13.217  -9.865
   83    HG1  THR   9           HG1      THR   9   6.450 -13.048  -7.601
   84   1HG2  THR   9          1HG2      THR   9   8.750 -11.413  -9.638
   85   2HG2  THR   9          2HG2      THR   9   8.712 -13.150  -9.946
   86   3HG2  THR   9          3HG2      THR   9   8.641 -12.544  -8.290
   87    H    GLY  10           H        GLY  10   4.232 -10.199  -9.186
   88   1HA   GLY  10          2HA       GLY  10   2.233 -10.013 -10.801
   89   2HA   GLY  10          1HA       GLY  10   2.465 -11.748 -10.960
   90    H    LYS  11           H        LYS  11   2.824 -12.703  -8.546
   91    HA   LYS  11           HA       LYS  11   0.765 -13.433  -7.285
   92   1HB   LYS  11          2HB       LYS  11   3.115 -13.393  -6.317
   93   2HB   LYS  11          1HB       LYS  11   2.675 -11.865  -5.566
   94   1HG   LYS  11          2HG       LYS  11   0.616 -13.339  -4.735
   95   2HG   LYS  11          1HG       LYS  11   1.819 -14.617  -4.916
   96   1HD   LYS  11          2HD       LYS  11   2.016 -12.135  -3.219
   97   2HD   LYS  11          1HD       LYS  11   1.940 -13.810  -2.670
   98   1HE   LYS  11          2HE       LYS  11   4.110 -13.635  -4.459
   99   2HE   LYS  11          1HE       LYS  11   4.226 -12.243  -3.384
  100   1HZ   LYS  11          1HZ       LYS  11   5.235 -13.700  -2.035
  101   2HZ   LYS  11          2HZ       LYS  11   4.579 -15.055  -2.808
  102   3HZ   LYS  11          3HZ       LYS  11   3.666 -14.213  -1.660
  103    H    THR  12           H        THR  12  -1.129 -12.818  -6.505
  104    HA   THR  12           HA       THR  12  -1.573  -9.943  -6.026
  105    HB   THR  12           HB       THR  12  -3.626 -12.017  -6.821
  106    HG1  THR  12           HG1      THR  12  -1.851 -10.643  -8.299
  107   1HG2  THR  12          1HG2      THR  12  -4.872  -9.784  -7.362
  108   2HG2  THR  12          2HG2      THR  12  -3.757  -9.098  -6.181
  109   3HG2  THR  12          3HG2      THR  12  -4.850 -10.400  -5.709
  110    H    VAL  13           H        VAL  13  -2.133  -9.325  -4.039
  111    HA   VAL  13           HA       VAL  13  -2.992 -11.401  -2.131
  112    HB   VAL  13           HB       VAL  13  -2.102  -9.888  -0.352
  113   1HG1  VAL  13          1HG1      VAL  13  -0.832 -11.792  -1.686
  114   2HG1  VAL  13          2HG1      VAL  13  -0.027 -10.827  -0.448
  115   3HG1  VAL  13          3HG1      VAL  13   0.193 -10.436  -2.153
  116   1HG2  VAL  13          1HG2      VAL  13  -2.180  -7.876  -1.977
  117   2HG2  VAL  13          2HG2      VAL  13  -0.592  -8.442  -2.495
  118   3HG2  VAL  13          3HG2      VAL  13  -0.860  -7.984  -0.812
  119    H    THR  14           H        THR  14  -4.598 -10.870  -0.594
  120    HA   THR  14           HA       THR  14  -6.335  -8.646  -1.435
  121    HB   THR  14           HB       THR  14  -8.000 -10.110   0.073
  122    HG1  THR  14           HG1      THR  14  -7.483 -12.372  -0.625
  123   1HG2  THR  14          1HG2      THR  14  -8.102 -11.435  -2.385
  124   2HG2  THR  14          2HG2      THR  14  -7.438  -9.842  -2.748
  125   3HG2  THR  14          3HG2      THR  14  -8.991  -9.983  -1.923
  126    H    ILE  15           H        ILE  15  -5.850  -6.946  -0.166
  127    HA   ILE  15           HA       ILE  15  -5.601  -7.394   2.732
  128    HB   ILE  15           HB       ILE  15  -4.832  -4.883   1.255
  129   1HG1  ILE  15          2HG1      ILE  15  -3.183  -7.340   1.863
  130   2HG1  ILE  15          1HG1      ILE  15  -3.487  -6.615   0.288
  131   1HG2  ILE  15          1HG2      ILE  15  -5.216  -5.129   3.852
  132   2HG2  ILE  15          2HG2      ILE  15  -3.889  -4.164   3.207
  133   3HG2  ILE  15          3HG2      ILE  15  -3.586  -5.799   3.793
  134   1HD1  ILE  15          1HD1      ILE  15  -2.321  -4.551   1.602
  135   2HD1  ILE  15          2HD1      ILE  15  -1.472  -5.704   0.572
  136   3HD1  ILE  15          3HD1      ILE  15  -1.501  -5.937   2.320
  137    H    GLU  16           H        GLU  16  -6.825  -6.214   4.186
  138    HA   GLU  16           HA       GLU  16  -9.226  -4.975   3.049
  139   1HB   GLU  16          2HB       GLU  16  -9.090  -5.404   5.961
  140   2HB   GLU  16          1HB       GLU  16 -10.387  -5.760   4.829
  141   1HG   GLU  16          2HG       GLU  16  -8.968  -7.712   4.048
  142   2HG   GLU  16          1HG       GLU  16  -7.974  -7.419   5.474
  143    H    VAL  17           H        VAL  17  -9.595  -2.861   3.197
  144    HA   VAL  17           HA       VAL  17  -8.216  -1.287   5.243
  145    HB   VAL  17           HB       VAL  17  -7.360   0.328   3.766
  146   1HG1  VAL  17          1HG1      VAL  17  -5.690  -0.835   2.725
  147   2HG1  VAL  17          2HG1      VAL  17  -6.789  -2.050   2.073
  148   3HG1  VAL  17          3HG1      VAL  17  -6.330  -2.099   3.775
  149   1HG2  VAL  17          1HG2      VAL  17  -7.914  -0.442   1.155
  150   2HG2  VAL  17          2HG2      VAL  17  -8.614   0.924   2.023
  151   3HG2  VAL  17          3HG2      VAL  17  -9.449  -0.629   2.005
  152    H    GLU  18           H        GLU  18  -9.089   1.017   5.263
  153    HA   GLU  18           HA       GLU  18 -11.974   0.953   4.668
  154   1HB   GLU  18          2HB       GLU  18 -10.453   1.953   7.040
  155   2HB   GLU  18          1HB       GLU  18 -11.964   2.741   6.604
  156   1HG   GLU  18          2HG       GLU  18 -12.643   0.093   6.525
  157   2HG   GLU  18          1HG       GLU  18 -11.488   0.151   7.855
  158    HA   PRO  19           HA       PRO  19 -11.201   4.245   1.775
  159   1HB   PRO  19          2HB       PRO  19 -13.997   4.921   2.583
  160   2HB   PRO  19          1HB       PRO  19 -13.300   4.772   0.966
  161   1HG   PRO  19          2HG       PRO  19 -14.838   2.840   1.963
  162   2HG   PRO  19          1HG       PRO  19 -13.405   2.453   0.993
  163   1HD   PRO  19          2HD       PRO  19 -13.814   2.250   3.937
  164   2HD   PRO  19          1HD       PRO  19 -12.833   1.238   2.859
  165    H    SER  20           H        SER  20  -9.721   5.286   3.233
  166    HA   SER  20           HA       SER  20  -9.948   7.870   3.732
  167   1HB   SER  20          2HB       SER  20 -10.631   7.970   6.234
  168   2HB   SER  20          1HB       SER  20 -11.902   7.854   5.016
  169    HG   SER  20           HG       SER  20 -11.743   6.323   7.007
  170    H    ASP  21           H        ASP  21  -8.538   4.927   4.455
  171    HA   ASP  21           HA       ASP  21  -6.832   5.642   6.599
  172   1HB   ASP  21          2HB       ASP  21  -6.949   3.438   4.594
  173   2HB   ASP  21          1HB       ASP  21  -5.429   3.694   5.444
  174    H    THR  22           H        THR  22  -4.413   5.737   6.356
  175    HA   THR  22           HA       THR  22  -3.763   7.572   4.161
  176    HB   THR  22           HB       THR  22  -2.056   8.492   5.493
  177    HG1  THR  22           HG1      THR  22  -0.916   7.206   6.715
  178   1HG2  THR  22          1HG2      THR  22  -3.647   9.531   6.665
  179   2HG2  THR  22          2HG2      THR  22  -3.422   8.307   7.915
  180   3HG2  THR  22          3HG2      THR  22  -4.664   8.090   6.681
  181    H    VAL  23           H        VAL  23  -1.749   7.381   3.051
  182    HA   VAL  23           HA       VAL  23  -1.156   4.891   2.044
  183    HB   VAL  23           HB       VAL  23   0.734   7.238   2.279
  184   1HG1  VAL  23          1HG1      VAL  23   1.946   5.190   1.795
  185   2HG1  VAL  23          2HG1      VAL  23   1.899   6.224   0.366
  186   3HG1  VAL  23          3HG1      VAL  23   0.835   4.822   0.475
  187   1HG2  VAL  23          1HG2      VAL  23   0.004   7.498  -0.172
  188   2HG2  VAL  23          2HG2      VAL  23  -1.116   8.018   1.087
  189   3HG2  VAL  23          3HG2      VAL  23  -1.359   6.473   0.273
  190    H    GLU  24           H        GLU  24   0.330   6.549   4.790
  191    HA   GLU  24           HA       GLU  24   2.460   4.864   5.299
  192   1HB   GLU  24          2HB       GLU  24   0.667   6.348   7.223
  193   2HB   GLU  24          1HB       GLU  24   2.141   5.527   7.716
  194   1HG   GLU  24          2HG       GLU  24   3.070   7.537   7.395
  195   2HG   GLU  24          1HG       GLU  24   3.088   7.044   5.702
  196    H    ASN  25           H        ASN  25  -0.837   4.617   6.638
  197    HA   ASN  25           HA       ASN  25  -0.509   2.262   8.066
  198   1HB   ASN  25          2HB       ASN  25  -2.735   3.851   7.090
  199   2HB   ASN  25          1HB       ASN  25  -3.108   2.130   7.045
  200   1HD2  ASN  25          1HD2      ASN  25  -2.700   4.889   8.996
  201   2HD2  ASN  25          2HD2      ASN  25  -2.987   4.137  10.526
  202    H    PHE  26           H        PHE  26  -1.504   2.698   4.685
  203    HA   PHE  26           HA       PHE  26  -1.982   0.060   4.003
  204   1HB   PHE  26          2HB       PHE  26  -2.272   2.199   2.596
  205   2HB   PHE  26          1HB       PHE  26  -0.589   1.967   2.134
  206    HD1  PHE  26           HD1      PHE  26  -1.797  -1.217   2.640
  207    HD2  PHE  26           HD2      PHE  26  -2.132   2.035  -0.098
  208    HE1  PHE  26           HE1      PHE  26  -2.502  -2.784   0.871
  209    HE2  PHE  26           HE2      PHE  26  -2.836   0.475  -1.872
  210    HZ   PHE  26           HZ       PHE  26  -3.023  -1.937  -1.387
  211    H    LYS  27           H        LYS  27   1.088   1.846   3.717
  212    HA   LYS  27           HA       LYS  27   2.662  -0.240   2.768
  213   1HB   LYS  27          2HB       LYS  27   3.563   1.945   4.652
  214   2HB   LYS  27          1HB       LYS  27   4.575   1.027   3.546
  215   1HG   LYS  27          2HG       LYS  27   3.652   2.087   1.658
  216   2HG   LYS  27          1HG       LYS  27   2.317   2.760   2.595
  217   1HD   LYS  27          2HD       LYS  27   3.858   4.530   2.197
  218   2HD   LYS  27          1HD       LYS  27   4.017   4.073   3.895
  219   1HE   LYS  27          2HE       LYS  27   5.978   2.700   3.315
  220   2HE   LYS  27          1HE       LYS  27   5.830   3.224   1.637
  221   1HZ   LYS  27          1HZ       LYS  27   6.290   5.461   2.273
  222   2HZ   LYS  27          2HZ       LYS  27   7.494   4.480   2.943
  223   3HZ   LYS  27          3HZ       LYS  27   6.247   5.074   3.920
  224    H    ALA  28           H        ALA  28   1.607   0.511   6.020
  225    HA   ALA  28           HA       ALA  28   3.377  -1.232   7.385
  226   1HB   ALA  28          1HB       ALA  28   0.894   0.244   8.069
  227   2HB   ALA  28          2HB       ALA  28   2.477   0.266   8.847
  228   3HB   ALA  28          3HB       ALA  28   1.378  -1.086   9.121
  229    H    LYS  29           H        LYS  29   0.078  -1.618   6.148
  230    HA   LYS  29           HA       LYS  29  -0.424  -4.175   7.173
  231   1HB   LYS  29          2HB       LYS  29  -1.499  -2.591   4.876
  232   2HB   LYS  29          1HB       LYS  29  -1.933  -4.288   5.015
  233   1HG   LYS  29          2HG       LYS  29  -2.985  -3.942   7.108
  234   2HG   LYS  29          1HG       LYS  29  -2.318  -2.313   7.247
  235   1HD   LYS  29          2HD       LYS  29  -3.673  -2.243   4.847
  236   2HD   LYS  29          1HD       LYS  29  -4.710  -3.238   5.871
  237   1HE   LYS  29          2HE       LYS  29  -5.394  -0.969   6.134
  238   2HE   LYS  29          1HE       LYS  29  -4.568  -1.456   7.614
  239   1HZ   LYS  29          1HZ       LYS  29  -2.660  -0.393   5.874
  240   2HZ   LYS  29          2HZ       LYS  29  -3.194   0.240   7.349
  241   3HZ   LYS  29          3HZ       LYS  29  -3.964   0.686   5.910
  242    H    ILE  30           H        ILE  30   1.105  -3.143   4.157
  243    HA   ILE  30           HA       ILE  30   1.379  -5.746   3.059
  244    HB   ILE  30           HB       ILE  30   3.077  -3.323   2.458
  245   1HG1  ILE  30          2HG1      ILE  30   0.594  -4.197   0.981
  246   2HG1  ILE  30          1HG1      ILE  30   0.549  -3.009   2.280
  247   1HG2  ILE  30          1HG2      ILE  30   4.162  -5.011   1.373
  248   2HG2  ILE  30          2HG2      ILE  30   2.970  -4.588   0.144
  249   3HG2  ILE  30          3HG2      ILE  30   2.702  -5.984   1.188
  250   1HD1  ILE  30          1HD1      ILE  30   2.392  -2.628  -0.035
  251   2HD1  ILE  30          2HD1      ILE  30   1.688  -1.427   1.048
  252   3HD1  ILE  30          3HD1      ILE  30   0.683  -2.214  -0.170
  253    H    GLN  31           H        GLN  31   3.465  -3.712   5.050
  254    HA   GLN  31           HA       GLN  31   5.803  -5.242   4.895
  255   1HB   GLN  31          2HB       GLN  31   5.867  -3.022   5.821
  256   2HB   GLN  31          1HB       GLN  31   4.750  -3.471   7.103
  257   1HG   GLN  31          2HG       GLN  31   6.694  -5.244   7.582
  258   2HG   GLN  31          1HG       GLN  31   7.649  -3.956   6.850
  259   1HE2  GLN  31          1HE2      GLN  31   5.881  -1.859   7.801
  260   2HE2  GLN  31          2HE2      GLN  31   6.193  -1.690   9.492
  261    H    ASP  32           H        ASP  32   3.067  -5.430   7.143
  262    HA   ASP  32           HA       ASP  32   4.152  -7.469   8.769
  263   1HB   ASP  32          2HB       ASP  32   1.913  -7.716   9.664
  264   2HB   ASP  32          1HB       ASP  32   2.260  -6.005   9.440
  265    H    LYS  33           H        LYS  33   3.135  -7.565   5.586
  266    HA   LYS  33           HA       LYS  33   2.383 -10.400   5.726
  267   1HB   LYS  33          2HB       LYS  33   1.863  -8.208   3.766
  268   2HB   LYS  33          1HB       LYS  33   1.898  -9.867   3.183
  269   1HG   LYS  33          2HG       LYS  33   0.281 -10.133   5.330
  270   2HG   LYS  33          1HG       LYS  33  -0.097  -8.483   4.832
  271   1HD   LYS  33          2HD       LYS  33  -0.348  -9.447   2.476
  272   2HD   LYS  33          1HD       LYS  33  -0.374 -11.028   3.260
  273   1HE   LYS  33          2HE       LYS  33  -2.402  -8.886   3.231
  274   2HE   LYS  33          1HE       LYS  33  -2.602 -10.636   3.301
  275   1HZ   LYS  33          1HZ       LYS  33  -3.303  -9.914   5.372
  276   2HZ   LYS  33          2HZ       LYS  33  -2.084  -8.748   5.509
  277   3HZ   LYS  33          3HZ       LYS  33  -1.707 -10.389   5.673
  278    H    GLU  34           H        GLU  34   4.373  -8.231   3.710
  279    HA   GLU  34           HA       GLU  34   6.024 -10.532   2.955
  280   1HB   GLU  34          2HB       GLU  34   6.128  -7.739   1.815
  281   2HB   GLU  34          1HB       GLU  34   6.842  -9.197   1.137
  282   1HG   GLU  34          2HG       GLU  34   4.442 -10.078   1.003
  283   2HG   GLU  34          1HG       GLU  34   3.959  -8.402   1.255
  284    H    GLY  35           H        GLY  35   6.094  -7.587   4.789
  285   1HA   GLY  35          2HA       GLY  35   7.662  -6.825   6.298
  286   2HA   GLY  35          1HA       GLY  35   8.555  -8.315   6.037
  287    H    ILE  36           H        ILE  36   7.762  -5.303   4.303
  288    HA   ILE  36           HA       ILE  36  10.564  -5.219   3.394
  289    HB   ILE  36           HB       ILE  36   8.081  -4.393   1.895
  290   1HG1  ILE  36          2HG1      ILE  36  10.222  -6.150   0.787
  291   2HG1  ILE  36          1HG1      ILE  36   9.130  -6.836   1.987
  292   1HG2  ILE  36          1HG2      ILE  36  10.944  -3.986   1.045
  293   2HG2  ILE  36          2HG2      ILE  36   9.898  -2.716   1.684
  294   3HG2  ILE  36          3HG2      ILE  36   9.492  -3.512   0.163
  295   1HD1  ILE  36          1HD1      ILE  36   7.353  -6.801   0.588
  296   2HD1  ILE  36          2HD1      ILE  36   8.639  -6.939  -0.610
  297   3HD1  ILE  36          3HD1      ILE  36   7.912  -5.368  -0.272
  298    HA   PRO  37           HA       PRO  37  10.769  -1.475   5.807
  299   1HB   PRO  37          2HB       PRO  37  12.946  -0.923   3.845
  300   2HB   PRO  37          1HB       PRO  37  12.972  -0.828   5.609
  301   1HG   PRO  37          2HG       PRO  37  14.123  -2.870   4.347
  302   2HG   PRO  37          1HG       PRO  37  13.229  -3.123   5.859
  303   1HD   PRO  37          2HD       PRO  37  12.424  -3.742   3.052
  304   2HD   PRO  37          1HD       PRO  37  12.073  -4.628   4.550
  305    HA   PRO  38           HA       PRO  38   8.101   1.019   3.197
  306   1HB   PRO  38          2HB       PRO  38   8.918   3.000   5.279
  307   2HB   PRO  38          1HB       PRO  38   7.308   2.630   4.650
  308   1HG   PRO  38          2HG       PRO  38   8.073   1.717   7.030
  309   2HG   PRO  38          1HG       PRO  38   7.101   0.712   5.940
  310   1HD   PRO  38          2HD       PRO  38   9.997   0.531   6.606
  311   2HD   PRO  38          1HD       PRO  38   8.846  -0.759   6.206
  312    H    ASP  39           H        ASP  39  11.295   1.949   4.346
  313    HA   ASP  39           HA       ASP  39  11.715   4.233   2.813
  314   1HB   ASP  39          2HB       ASP  39  13.206   3.332   4.642
  315   2HB   ASP  39          1HB       ASP  39  13.831   2.179   3.468
  316    H    GLN  40           H        GLN  40  11.389   0.989   1.818
  317    HA   GLN  40           HA       GLN  40  12.327   1.719  -0.877
  318   1HB   GLN  40          2HB       GLN  40  12.419  -1.143  -0.316
  319   2HB   GLN  40          1HB       GLN  40  13.633  -0.099  -1.042
  320   1HG   GLN  40          2HG       GLN  40  13.153  -0.045   1.906
  321   2HG   GLN  40          1HG       GLN  40  14.158  -1.296   1.177
  322   1HE2  GLN  40          1HE2      GLN  40  16.175  -0.798   0.468
  323   2HE2  GLN  40          2HE2      GLN  40  16.915   0.748   0.680
  324    H    GLN  41           H        GLN  41   9.639   1.718   0.460
  325    HA   GLN  41           HA       GLN  41   8.251  -0.325  -1.116
  326   1HB   GLN  41          2HB       GLN  41   7.531   1.329   1.268
  327   2HB   GLN  41          1HB       GLN  41   6.243   0.727   0.233
  328   1HG   GLN  41          2HG       GLN  41   7.650  -1.534   0.576
  329   2HG   GLN  41          1HG       GLN  41   8.011  -0.712   2.094
  330   1HE2  GLN  41          1HE2      GLN  41   6.813  -1.796   3.522
  331   2HE2  GLN  41          2HE2      GLN  41   5.099  -2.001   3.429
  332    H    ARG  42           H        ARG  42   7.868   0.316  -3.136
  333    HA   ARG  42           HA       ARG  42   6.967   3.079  -3.590
  334   1HB   ARG  42          2HB       ARG  42   8.978   1.665  -4.840
  335   2HB   ARG  42          1HB       ARG  42   7.635   1.502  -5.963
  336   1HG   ARG  42          2HG       ARG  42   8.015   3.537  -6.731
  337   2HG   ARG  42          1HG       ARG  42   7.755   4.210  -5.120
  338   1HD   ARG  42          2HD       ARG  42  10.205   3.389  -4.710
  339   2HD   ARG  42          1HD       ARG  42  10.304   3.439  -6.469
  340    HE   ARG  42           HE       ARG  42  10.377   5.716  -6.350
  341   1HH1  ARG  42          2HH1      ARG  42   9.103   4.480  -3.354
  342   2HH1  ARG  42          1HH1      ARG  42   9.087   6.027  -2.574
  343   1HH2  ARG  42          1HH2      ARG  42  10.358   7.757  -5.333
  344   2HH2  ARG  42          2HH2      ARG  42   9.800   7.890  -3.699
  345    H    LEU  43           H        LEU  43   4.791   3.040  -3.396
  346    HA   LEU  43           HA       LEU  43   3.287   0.920  -4.753
  347   1HB   LEU  43          2HB       LEU  43   2.145   3.055  -2.967
  348   2HB   LEU  43          1HB       LEU  43   1.422   1.523  -3.419
  349    HG   LEU  43           HG       LEU  43   3.721   1.971  -1.522
  350   1HD1  LEU  43          1HD1      LEU  43   1.046   0.648  -1.106
  351   2HD1  LEU  43          2HD1      LEU  43   1.407   2.323  -0.686
  352   3HD1  LEU  43          3HD1      LEU  43   2.264   1.008   0.118
  353   1HD2  LEU  43          1HD2      LEU  43   2.834  -0.746  -1.627
  354   2HD2  LEU  43          2HD2      LEU  43   4.454  -0.094  -1.874
  355   3HD2  LEU  43          3HD2      LEU  43   3.341  -0.229  -3.235
  356    H    ILE  44           H        ILE  44   2.243   1.285  -6.602
  357    HA   ILE  44           HA       ILE  44   1.751   4.078  -7.403
  358    HB   ILE  44           HB       ILE  44   2.563   1.846  -9.267
  359   1HG1  ILE  44          2HG1      ILE  44   4.120   3.946  -7.824
  360   2HG1  ILE  44          1HG1      ILE  44   4.570   2.290  -8.222
  361   1HG2  ILE  44          1HG2      ILE  44   2.169   4.800  -9.737
  362   2HG2  ILE  44          2HG2      ILE  44   1.115   3.503 -10.302
  363   3HG2  ILE  44          3HG2      ILE  44   2.759   3.639 -10.928
  364   1HD1  ILE  44          1HD1      ILE  44   5.896   3.958  -9.432
  365   2HD1  ILE  44          2HD1      ILE  44   4.421   4.554 -10.195
  366   3HD1  ILE  44          3HD1      ILE  44   4.978   2.911 -10.513
  367    H    PHE  45           H        PHE  45  -0.256   4.531  -8.063
  368    HA   PHE  45           HA       PHE  45  -2.083   2.271  -8.555
  369   1HB   PHE  45          2HB       PHE  45  -2.544   3.535  -6.458
  370   2HB   PHE  45          1HB       PHE  45  -2.797   4.984  -7.426
  371    HD1  PHE  45           HD1      PHE  45  -3.917   2.076  -9.114
  372    HD2  PHE  45           HD2      PHE  45  -5.023   4.909  -6.125
  373    HE1  PHE  45           HE1      PHE  45  -6.285   1.462  -9.414
  374    HE2  PHE  45           HE2      PHE  45  -7.394   4.300  -6.419
  375    HZ   PHE  45           HZ       PHE  45  -8.026   2.574  -8.065
  376    H    ALA  46           H        ALA  46  -1.604   2.332 -10.804
  377    HA   ALA  46           HA       ALA  46  -2.004   2.906 -12.969
  378   1HB   ALA  46          1HB       ALA  46  -4.325   2.912 -12.341
  379   2HB   ALA  46          2HB       ALA  46  -4.027   4.269 -13.428
  380   3HB   ALA  46          3HB       ALA  46  -4.189   4.546 -11.693
  381    H    GLY  47           H        GLY  47   0.107   4.221 -11.822
  382   1HA   GLY  47          2HA       GLY  47   1.516   5.883 -12.704
  383   2HA   GLY  47          1HA       GLY  47   0.107   6.691 -13.374
  384    H    LYS  48           H        LYS  48  -1.031   6.180 -10.486
  385    HA   LYS  48           HA       LYS  48  -0.083   8.751  -9.470
  386   1HB   LYS  48          2HB       LYS  48  -2.296   7.180  -8.204
  387   2HB   LYS  48          1HB       LYS  48  -2.075   8.923  -8.283
  388   1HG   LYS  48          2HG       LYS  48  -2.343   7.953 -10.935
  389   2HG   LYS  48          1HG       LYS  48  -3.636   7.257  -9.958
  390   1HD   LYS  48          2HD       LYS  48  -3.190  10.084  -9.409
  391   2HD   LYS  48          1HD       LYS  48  -3.631   9.770 -11.089
  392   1HE   LYS  48          2HE       LYS  48  -5.161   9.040  -8.602
  393   2HE   LYS  48          1HE       LYS  48  -5.653  10.131  -9.897
  394   1HZ   LYS  48          1HZ       LYS  48  -6.659   8.402 -10.817
  395   2HZ   LYS  48          2HZ       LYS  48  -5.992   7.322  -9.700
  396   3HZ   LYS  48          3HZ       LYS  48  -5.142   7.712 -11.111
  397    H    GLN  49           H        GLN  49   1.836   8.352  -8.454
  398    HA   GLN  49           HA       GLN  49   2.360   6.109  -6.819
  399   1HB   GLN  49          2HB       GLN  49   3.896   8.061  -7.904
  400   2HB   GLN  49          1HB       GLN  49   3.831   8.605  -6.234
  401   1HG   GLN  49          2HG       GLN  49   4.362   5.792  -6.322
  402   2HG   GLN  49          1HG       GLN  49   5.504   6.657  -7.349
  403   1HE2  GLN  49          1HE2      GLN  49   7.320   6.817  -6.236
  404   2HE2  GLN  49          2HE2      GLN  49   7.463   7.381  -4.609
  405    H    LEU  50           H        LEU  50   1.976   5.713  -4.722
  406    HA   LEU  50           HA       LEU  50   0.249   7.505  -3.274
  407   1HB   LEU  50          2HB       LEU  50   1.357   4.768  -2.791
  408   2HB   LEU  50          1HB       LEU  50   0.633   5.656  -1.463
  409    HG   LEU  50           HG       LEU  50  -1.470   5.836  -2.761
  410   1HD1  LEU  50          1HD1      LEU  50  -0.825   5.724  -5.002
  411   2HD1  LEU  50          2HD1      LEU  50  -1.637   4.186  -4.708
  412   3HD1  LEU  50          3HD1      LEU  50   0.125   4.259  -4.751
  413   1HD2  LEU  50          1HD2      LEU  50  -1.087   2.953  -2.836
  414   2HD2  LEU  50          2HD2      LEU  50  -2.170   3.928  -1.844
  415   3HD2  LEU  50          3HD2      LEU  50  -0.494   3.691  -1.347
  416    H    GLU  51           H        GLU  51   0.911   9.092  -2.003
  417    HA   GLU  51           HA       GLU  51   3.656   9.031  -0.958
  418   1HB   GLU  51          2HB       GLU  51   1.737  11.253  -1.588
  419   2HB   GLU  51          1HB       GLU  51   3.074  11.522  -0.477
  420   1HG   GLU  51          2HG       GLU  51   4.233  10.286  -2.677
  421   2HG   GLU  51          1HG       GLU  51   3.060  11.411  -3.359
  422    H    ASP  52           H        ASP  52   4.077   9.165   1.211
  423    HA   ASP  52           HA       ASP  52   2.083   8.307   3.017
  424   1HB   ASP  52          2HB       ASP  52   4.765   9.551   3.652
  425   2HB   ASP  52          1HB       ASP  52   3.778   8.587   4.746
  426    H    GLY  53           H        GLY  53   0.763  10.317   2.069
  427   1HA   GLY  53          2HA       GLY  53   0.558  12.151   4.306
  428   2HA   GLY  53          1HA       GLY  53   0.962  12.891   2.766
  429    H    ARG  54           H        ARG  54  -0.735  10.842   1.330
  430    HA   ARG  54           HA       ARG  54  -3.289  12.187   1.839
  431   1HB   ARG  54          2HB       ARG  54  -2.788  10.494  -0.575
  432   2HB   ARG  54          1HB       ARG  54  -3.825  11.904  -0.396
  433   1HG   ARG  54          2HG       ARG  54  -1.127  12.691   0.067
  434   2HG   ARG  54          1HG       ARG  54  -1.209  11.774  -1.439
  435   1HD   ARG  54          2HD       ARG  54  -3.186  13.247  -2.050
  436   2HD   ARG  54          1HD       ARG  54  -2.717  14.265  -0.689
  437    HE   ARG  54           HE       ARG  54  -1.484  14.173  -3.246
  438   1HH1  ARG  54          2HH1      ARG  54  -0.809  14.595   0.144
  439   2HH1  ARG  54          1HH1      ARG  54   0.611  15.551  -0.124
  440   1HH2  ARG  54          1HH2      ARG  54   0.384  15.430  -3.612
  441   2HH2  ARG  54          2HH2      ARG  54   1.289  16.026  -2.261
  442    H    THR  55           H        THR  55  -5.164  10.619   0.922
  443    HA   THR  55           HA       THR  55  -4.912   8.119   2.464
  444    HB   THR  55           HB       THR  55  -7.095   8.290   3.203
  445    HG1  THR  55           HG1      THR  55  -7.628  10.165   1.121
  446   1HG2  THR  55          1HG2      THR  55  -7.492  10.615   3.940
  447   2HG2  THR  55          2HG2      THR  55  -6.214  11.157   2.851
  448   3HG2  THR  55          3HG2      THR  55  -5.826  10.100   4.207
  449    H    LEU  56           H        LEU  56  -6.658   6.473   1.719
  450    HA   LEU  56           HA       LEU  56  -6.059   5.762  -0.958
  451   1HB   LEU  56          2HB       LEU  56  -8.340   4.640   0.648
  452   2HB   LEU  56          1HB       LEU  56  -7.401   3.846  -0.602
  453    HG   LEU  56           HG       LEU  56  -6.376   4.608   2.135
  454   1HD1  LEU  56          1HD1      LEU  56  -7.550   2.127   1.001
  455   2HD1  LEU  56          2HD1      LEU  56  -7.672   2.800   2.628
  456   3HD1  LEU  56          3HD1      LEU  56  -6.198   1.972   2.123
  457   1HD2  LEU  56          1HD2      LEU  56  -4.932   2.728   0.367
  458   2HD2  LEU  56          2HD2      LEU  56  -4.312   3.891   1.539
  459   3HD2  LEU  56          3HD2      LEU  56  -4.853   4.440  -0.048
  460    H    SER  57           H        SER  57  -8.867   7.221   0.592
  461    HA   SER  57           HA       SER  57 -10.622   7.115  -1.601
  462   1HB   SER  57          2HB       SER  57 -12.038   8.460  -0.353
  463   2HB   SER  57          1HB       SER  57 -11.017   7.789   0.918
  464    HG   SER  57           HG       SER  57  -9.696   9.826   0.324
  465    H    ASP  58           H        ASP  58  -7.931   9.160  -0.879
  466    HA   ASP  58           HA       ASP  58  -8.588  11.350  -2.545
  467   1HB   ASP  58          2HB       ASP  58  -6.014  10.311  -1.389
  468   2HB   ASP  58          1HB       ASP  58  -6.017  11.670  -2.509
  469    H    TYR  59           H        TYR  59  -7.212   8.215  -3.152
  470    HA   TYR  59           HA       TYR  59  -6.561   8.959  -5.911
  471   1HB   TYR  59          2HB       TYR  59  -5.979   6.388  -4.426
  472   2HB   TYR  59          1HB       TYR  59  -5.395   6.812  -6.031
  473    HD1  TYR  59           HD1      TYR  59  -3.746   8.681  -6.284
  474    HD2  TYR  59           HD2      TYR  59  -4.873   7.152  -2.467
  475    HE1  TYR  59           HE1      TYR  59  -1.751   9.723  -5.284
  476    HE2  TYR  59           HE2      TYR  59  -2.881   8.191  -1.457
  477    HH   TYR  59           HH       TYR  59  -1.246   9.783  -1.820
  478    H    ASN  60           H        ASN  60  -9.234   8.099  -4.368
  479    HA   ASN  60           HA       ASN  60 -11.216   7.170  -4.978
  480   1HB   ASN  60          2HB       ASN  60  -9.864   7.370  -7.660
  481   2HB   ASN  60          1HB       ASN  60 -11.473   6.675  -7.495
  482   1HD2  ASN  60          1HD2      ASN  60 -13.110   8.014  -7.682
  483   2HD2  ASN  60          2HD2      ASN  60 -13.054   9.727  -7.466
  484    H    ILE  61           H        ILE  61  -9.436   5.463  -3.799
  485    HA   ILE  61           HA       ILE  61  -9.179   3.035  -5.332
  486    HB   ILE  61           HB       ILE  61  -8.767   3.445  -2.367
  487   1HG1  ILE  61          2HG1      ILE  61  -6.805   3.608  -4.666
  488   2HG1  ILE  61          1HG1      ILE  61  -7.316   4.940  -3.633
  489   1HG2  ILE  61          1HG2      ILE  61  -9.034   1.089  -3.569
  490   2HG2  ILE  61          2HG2      ILE  61  -7.892   1.351  -2.251
  491   3HG2  ILE  61          3HG2      ILE  61  -7.329   1.372  -3.922
  492   1HD1  ILE  61          1HD1      ILE  61  -5.566   4.509  -2.357
  493   2HD1  ILE  61          2HD1      ILE  61  -5.216   3.024  -3.242
  494   3HD1  ILE  61          3HD1      ILE  61  -6.347   2.999  -1.889
  495    H    GLN  62           H        GLN  62 -10.707   1.538  -5.574
  496    HA   GLN  62           HA       GLN  62 -13.034   1.600  -3.797
  497   1HB   GLN  62          2HB       GLN  62 -12.573   0.425  -6.534
  498   2HB   GLN  62          1HB       GLN  62 -14.002   0.049  -5.582
  499   1HG   GLN  62          2HG       GLN  62 -13.672   2.872  -5.632
  500   2HG   GLN  62          1HG       GLN  62 -13.546   2.258  -7.280
  501   1HE2  GLN  62          1HE2      GLN  62 -15.641   3.848  -5.936
  502   2HE2  GLN  62          2HE2      GLN  62 -17.106   2.961  -6.163
  503    H    LYS  63           H        LYS  63 -14.069  -0.779  -3.715
  504    HA   LYS  63           HA       LYS  63 -12.275  -2.284  -2.088
  505   1HB   LYS  63          2HB       LYS  63 -14.123  -3.670  -1.590
  506   2HB   LYS  63          1HB       LYS  63 -14.780  -2.049  -1.765
  507   1HG   LYS  63          2HG       LYS  63 -14.767  -3.646  -4.227
  508   2HG   LYS  63          1HG       LYS  63 -15.804  -4.260  -2.937
  509   1HD   LYS  63          2HD       LYS  63 -16.663  -1.842  -2.763
  510   2HD   LYS  63          1HD       LYS  63 -15.913  -1.611  -4.343
  511   1HE   LYS  63          2HE       LYS  63 -17.381  -3.036  -5.397
  512   2HE   LYS  63          1HE       LYS  63 -17.722  -3.942  -3.925
  513   1HZ   LYS  63          1HZ       LYS  63 -18.644  -1.170  -4.455
  514   2HZ   LYS  63          2HZ       LYS  63 -19.034  -2.116  -3.109
  515   3HZ   LYS  63          3HZ       LYS  63 -19.596  -2.557  -4.642
  516    H    GLU  64           H        GLU  64 -12.380  -2.085  -5.349
  517    HA   GLU  64           HA       GLU  64 -11.347  -4.816  -5.632
  518   1HB   GLU  64          2HB       GLU  64 -13.520  -3.500  -7.194
  519   2HB   GLU  64          1HB       GLU  64 -12.408  -4.557  -8.054
  520   1HG   GLU  64          2HG       GLU  64 -13.082  -6.040  -5.843
  521   2HG   GLU  64          1HG       GLU  64 -14.584  -5.208  -6.243
  522    H    SER  65           H        SER  65 -10.262  -1.977  -5.434
  523    HA   SER  65           HA       SER  65  -9.055  -1.515  -8.013
  524   1HB   SER  65          2HB       SER  65  -8.665  -0.193  -5.320
  525   2HB   SER  65          1HB       SER  65  -7.831   0.310  -6.789
  526    HG   SER  65           HG       SER  65 -10.516   0.081  -7.158
  527    H    THR  66           H        THR  66  -6.834  -1.651  -8.492
  528    HA   THR  66           HA       THR  66  -5.326  -3.461  -6.719
  529    HB   THR  66           HB       THR  66  -5.185  -3.254  -9.732
  530    HG1  THR  66           HG1      THR  66  -6.887  -4.548  -8.287
  531   1HG2  THR  66          1HG2      THR  66  -3.572  -4.812  -7.730
  532   2HG2  THR  66          2HG2      THR  66  -3.003  -3.787  -9.047
  533   3HG2  THR  66          3HG2      THR  66  -3.742  -5.349  -9.401
  534    H    ILE  67           H        ILE  67  -3.031  -3.185  -6.636
  535    HA   ILE  67           HA       ILE  67  -2.007  -0.628  -7.637
  536    HB   ILE  67           HB       ILE  67  -1.819  -1.536  -4.764
  537   1HG1  ILE  67          2HG1      ILE  67  -2.786   0.876  -4.504
  538   2HG1  ILE  67          1HG1      ILE  67  -3.265   0.676  -6.188
  539   1HG2  ILE  67          1HG2      ILE  67   0.223  -0.589  -4.903
  540   2HG2  ILE  67          2HG2      ILE  67  -0.698   0.908  -4.764
  541   3HG2  ILE  67          3HG2      ILE  67  -0.183   0.334  -6.350
  542   1HD1  ILE  67          1HD1      ILE  67  -4.990  -0.602  -5.635
  543   2HD1  ILE  67          2HD1      ILE  67  -4.700  -0.096  -3.971
  544   3HD1  ILE  67          3HD1      ILE  67  -4.007  -1.604  -4.568
  545    H    HIS  68           H        HIS  68   0.186  -0.595  -8.068
  546    HA   HIS  68           HA       HIS  68   1.478  -3.225  -8.066
  547   1HB   HIS  68          2HB       HIS  68   2.738  -0.936  -9.471
  548   2HB   HIS  68          1HB       HIS  68   2.583  -2.616  -9.970
  549    HD1  HIS  68           HD1      HIS  68   1.794   0.205 -11.497
  550    HD2  HIS  68           HD2      HIS  68  -0.717  -2.751 -10.009
  551    HE1  HIS  68           HE1      HIS  68  -0.354   0.439 -12.782
  552    HE2  HIS  68           HE2      HIS  68  -1.824  -1.423 -11.932
  553    H    LEU  69           H        LEU  69   3.056  -3.671  -6.689
  554    HA   LEU  69           HA       LEU  69   4.268  -1.467  -5.176
  555   1HB   LEU  69          2HB       LEU  69   3.317  -3.048  -3.712
  556   2HB   LEU  69          1HB       LEU  69   3.934  -4.403  -4.638
  557    HG   LEU  69           HG       LEU  69   6.208  -3.910  -3.893
  558   1HD1  LEU  69          1HD1      LEU  69   5.268  -1.370  -3.437
  559   2HD1  LEU  69          2HD1      LEU  69   6.830  -2.003  -2.919
  560   3HD1  LEU  69          3HD1      LEU  69   5.459  -2.020  -1.809
  561   1HD2  LEU  69          1HD2      LEU  69   5.830  -4.324  -1.426
  562   2HD2  LEU  69          2HD2      LEU  69   5.050  -5.456  -2.532
  563   3HD2  LEU  69          3HD2      LEU  69   4.104  -4.183  -1.760
  564    H    VAL  70           H        VAL  70   6.408  -1.036  -5.253
  565    HA   VAL  70           HA       VAL  70   8.149  -2.896  -6.720
  566    HB   VAL  70           HB       VAL  70   8.719  -0.016  -7.084
  567   1HG1  VAL  70          1HG1      VAL  70   9.808  -2.248  -8.061
  568   2HG1  VAL  70          2HG1      VAL  70   9.805  -0.723  -8.946
  569   3HG1  VAL  70          3HG1      VAL  70   8.602  -1.958  -9.314
  570   1HG2  VAL  70          1HG2      VAL  70   7.079  -0.303  -9.179
  571   2HG2  VAL  70          2HG2      VAL  70   6.568   0.414  -7.651
  572   3HG2  VAL  70          3HG2      VAL  70   6.205  -1.278  -7.998
  573    H    LEU  71           H        LEU  71  10.061  -3.267  -5.777
  574    HA   LEU  71           HA       LEU  71  10.593  -2.301  -3.178
  575   1HB   LEU  71          2HB       LEU  71  11.843  -4.134  -5.085
  576   2HB   LEU  71          1HB       LEU  71  12.998  -3.299  -4.064
  577    HG   LEU  71           HG       LEU  71  10.790  -5.162  -3.233
  578   1HD1  LEU  71          1HD1      LEU  71  13.356  -5.481  -1.972
  579   2HD1  LEU  71          2HD1      LEU  71  13.518  -5.489  -3.728
  580   3HD1  LEU  71          3HD1      LEU  71  12.430  -6.629  -2.938
  581   1HD2  LEU  71          1HD2      LEU  71  10.458  -3.648  -1.568
  582   2HD2  LEU  71          2HD2      LEU  71  12.085  -2.979  -1.696
  583   3HD2  LEU  71          3HD2      LEU  71  11.826  -4.523  -0.880
  584    H    ARG  72           H        ARG  72  11.661  -1.310  -6.357
  585    HA   ARG  72           HA       ARG  72  12.367   0.854  -6.895
  586   1HB   ARG  72          2HB       ARG  72  11.931   1.541  -4.482
  587   2HB   ARG  72          1HB       ARG  72  13.595   1.081  -4.151
  588   1HG   ARG  72          2HG       ARG  72  14.153   2.688  -6.114
  589   2HG   ARG  72          1HG       ARG  72  12.548   3.345  -5.788
  590   1HD   ARG  72          2HD       ARG  72  13.776   3.075  -3.288
  591   2HD   ARG  72          1HD       ARG  72  15.016   3.733  -4.353
  592    HE   ARG  72           HE       ARG  72  12.723   5.094  -3.357
  593   1HH1  ARG  72          2HH1      ARG  72  14.846   4.855  -6.106
  594   2HH1  ARG  72          1HH1      ARG  72  14.565   6.483  -6.629
  595   1HH2  ARG  72          1HH2      ARG  72  12.346   7.240  -4.034
  596   2HH2  ARG  72          2HH2      ARG  72  13.145   7.840  -5.448
  597    H    LEU  73           H        LEU  73  13.713  -0.072  -8.373
  598    HA   LEU  73           HA       LEU  73  15.748  -0.418  -9.354
  599   1HB   LEU  73          2HB       LEU  73  16.410   1.047  -7.074
  600   2HB   LEU  73          1HB       LEU  73  17.462  -0.355  -7.018
  601    HG   LEU  73           HG       LEU  73  18.263   0.172  -9.295
  602   1HD1  LEU  73          1HD1      LEU  73  16.019   1.527  -9.687
  603   2HD1  LEU  73          2HD1      LEU  73  17.502   1.901 -10.563
  604   3HD1  LEU  73          3HD1      LEU  73  17.036   2.870  -9.165
  605   1HD2  LEU  73          1HD2      LEU  73  19.128   2.607  -8.475
  606   2HD2  LEU  73          2HD2      LEU  73  19.816   1.071  -7.950
  607   3HD2  LEU  73          3HD2      LEU  73  18.620   1.892  -6.947
  608    H    ARG  74           H        ARG  74  14.078  -2.428  -7.881
  609    HA   ARG  74           HA       ARG  74  14.119  -4.635  -7.316
  610   1HB   ARG  74          2HB       ARG  74  15.470  -4.329  -9.684
  611   2HB   ARG  74          1HB       ARG  74  16.634  -5.220  -8.714
  612   1HG   ARG  74          2HG       ARG  74  15.520  -7.106  -9.018
  613   2HG   ARG  74          1HG       ARG  74  14.031  -6.378  -8.411
  614   1HD   ARG  74          2HD       ARG  74  13.615  -7.141 -10.633
  615   2HD   ARG  74          1HD       ARG  74  13.687  -5.381 -10.673
  616    HE   ARG  74           HE       ARG  74  16.226  -6.167 -11.266
  617   1HH1  ARG  74          2HH1      ARG  74  13.077  -6.865 -12.578
  618   2HH1  ARG  74          1HH1      ARG  74  13.659  -7.113 -14.190
  619   1HH2  ARG  74          1HH2      ARG  74  17.006  -6.491 -13.387
  620   2HH2  ARG  74          2HH2      ARG  74  15.893  -6.901 -14.651
  621    H    GLY  75           H        GLY  75  16.021  -6.485  -6.796
  622   1HA   GLY  75          2HA       GLY  75  17.641  -5.247  -4.656
  623   2HA   GLY  75          1HA       GLY  75  16.760  -6.749  -4.419
  624    H    GLY  76           HN       GLY  76  19.260  -5.290  -6.488
  625   1HA   GLY  76          2HA       GLY  76  20.320  -7.883  -7.199
  626   2HA   GLY  76          1HA       GLY  76  20.972  -6.322  -7.671
  Start of MODEL   12
    1   2H    MET   1          2H        MET   1 -14.211  -2.305   2.846
    2   3H    MET   1          3H        MET   1 -12.534  -2.269   3.067
    3   1H    MET   1          1H        MET   1 -13.408  -3.669   3.441
    4    HA   MET   1           HA       MET   1 -13.946  -4.045   1.166
    5   1HB   MET   1          2HB       MET   1 -13.032  -2.570  -0.589
    6   2HB   MET   1          1HB       MET   1 -14.163  -1.727   0.461
    7   1HG   MET   1          2HG       MET   1 -12.149  -0.892   1.738
    8   2HG   MET   1          1HG       MET   1 -11.171  -1.510   0.408
    9   1HE   MET   1          1HE       MET   1 -10.636   1.641   0.691
   10   2HE   MET   1          2HE       MET   1 -10.711   1.814  -1.062
   11   3HE   MET   1          3HE       MET   1 -10.061   0.338  -0.348
   12    H    GLN   2           H        GLN   2 -12.682  -5.504   0.140
   13    HA   GLN   2           HA       GLN   2  -9.936  -5.756   1.123
   14   1HB   GLN   2          2HB       GLN   2 -11.830  -7.624   1.076
   15   2HB   GLN   2          1HB       GLN   2 -11.204  -7.872  -0.548
   16   1HG   GLN   2          2HG       GLN   2  -9.511  -9.042   0.250
   17   2HG   GLN   2          1HG       GLN   2  -9.013  -7.688   1.264
   18   1HE2  GLN   2          1HE2      GLN   2  -9.138 -10.666   1.664
   19   2HE2  GLN   2          2HE2      GLN   2  -9.984 -10.863   3.158
   20    H    VAL   3           H        VAL   3  -8.394  -4.941  -0.086
   21    HA   VAL   3           HA       VAL   3  -8.757  -4.752  -2.990
   22    HB   VAL   3           HB       VAL   3  -6.980  -3.144  -3.014
   23   1HG1  VAL   3          1HG1      VAL   3  -8.681  -2.535  -0.603
   24   2HG1  VAL   3          2HG1      VAL   3  -9.244  -2.407  -2.269
   25   3HG1  VAL   3          3HG1      VAL   3  -7.926  -1.381  -1.703
   26   1HG2  VAL   3          1HG2      VAL   3  -5.966  -2.487  -0.731
   27   2HG2  VAL   3          2HG2      VAL   3  -5.355  -3.926  -1.548
   28   3HG2  VAL   3          3HG2      VAL   3  -6.496  -4.087  -0.212
   29    H    PHE   4           H        PHE   4  -6.600  -4.983  -4.243
   30    HA   PHE   4           HA       PHE   4  -5.162  -7.344  -3.234
   31   1HB   PHE   4          2HB       PHE   4  -5.663  -6.868  -6.160
   32   2HB   PHE   4          1HB       PHE   4  -5.198  -8.363  -5.355
   33    HD1  PHE   4           HD1      PHE   4  -7.925  -6.280  -6.452
   34    HD2  PHE   4           HD2      PHE   4  -6.877  -9.568  -3.949
   35    HE1  PHE   4           HE1      PHE   4 -10.294  -6.952  -6.350
   36    HE2  PHE   4           HE2      PHE   4  -9.244 -10.247  -3.843
   37    HZ   PHE   4           HZ       PHE   4 -10.956  -8.938  -5.045
   38    H    LEU   5           H        LEU   5  -2.983  -7.336  -3.386
   39    HA   LEU   5           HA       LEU   5  -1.743  -5.001  -4.689
   40   1HB   LEU   5          2HB       LEU   5  -1.595  -5.094  -2.184
   41   2HB   LEU   5          1HB       LEU   5  -0.652  -6.562  -2.349
   42    HG   LEU   5           HG       LEU   5   0.750  -4.856  -3.948
   43   1HD1  LEU   5          1HD1      LEU   5  -0.631  -3.268  -1.829
   44   2HD1  LEU   5          2HD1      LEU   5  -0.304  -2.850  -3.510
   45   3HD1  LEU   5          3HD1      LEU   5   1.006  -2.842  -2.329
   46   1HD2  LEU   5          1HD2      LEU   5   1.897  -6.216  -2.442
   47   2HD2  LEU   5          2HD2      LEU   5   1.005  -5.594  -1.054
   48   3HD2  LEU   5          3HD2      LEU   5   2.209  -4.583  -1.852
   49    H    LYS   6           H        LYS   6  -0.205  -5.358  -6.189
   50    HA   LYS   6           HA       LYS   6   0.517  -8.157  -6.716
   51   1HB   LYS   6          2HB       LYS   6  -0.205  -5.919  -8.400
   52   2HB   LYS   6          1HB       LYS   6   1.346  -6.591  -8.882
   53   1HG   LYS   6          2HG       LYS   6   0.441  -8.531  -9.601
   54   2HG   LYS   6          1HG       LYS   6  -0.825  -8.525  -8.371
   55   1HD   LYS   6          2HD       LYS   6  -1.925  -6.666  -9.629
   56   2HD   LYS   6          1HD       LYS   6  -0.735  -6.904 -10.909
   57   1HE   LYS   6          2HE       LYS   6  -2.272  -9.262  -9.947
   58   2HE   LYS   6          1HE       LYS   6  -3.098  -8.088 -10.971
   59   1HZ   LYS   6          1HZ       LYS   6  -0.685  -9.678 -11.623
   60   2HZ   LYS   6          2HZ       LYS   6  -1.191  -8.362 -12.554
   61   3HZ   LYS   6          3HZ       LYS   6  -2.192  -9.716 -12.393
   62    H    THR   7           H        THR   7   2.626  -8.789  -7.006
   63    HA   THR   7           HA       THR   7   4.641  -6.927  -5.962
   64    HB   THR   7           HB       THR   7   5.890  -8.739  -5.211
   65    HG1  THR   7           HG1      THR   7   5.098 -10.961  -6.055
   66   1HG2  THR   7          1HG2      THR   7   4.099 -10.454  -4.355
   67   2HG2  THR   7          2HG2      THR   7   2.958  -9.272  -4.996
   68   3HG2  THR   7          3HG2      THR   7   4.108  -8.799  -3.746
   69    H    LEU   8           H        LEU   8   6.959  -7.928  -6.867
   70    HA   LEU   8           HA       LEU   8   6.997  -7.038  -9.593
   71   1HB   LEU   8          2HB       LEU   8   9.316  -8.338  -8.205
   72   2HB   LEU   8          1HB       LEU   8   9.331  -7.091  -9.439
   73    HG   LEU   8           HG       LEU   8   8.330  -6.636  -6.630
   74   1HD1  LEU   8          1HD1      LEU   8  10.431  -6.543  -5.935
   75   2HD1  LEU   8          2HD1      LEU   8  10.752  -5.268  -7.111
   76   3HD1  LEU   8          3HD1      LEU   8  11.008  -6.958  -7.549
   77   1HD2  LEU   8          1HD2      LEU   8   9.328  -4.356  -8.092
   78   2HD2  LEU   8          2HD2      LEU   8   7.765  -4.597  -7.312
   79   3HD2  LEU   8          3HD2      LEU   8   8.020  -5.155  -8.965
   80    H    THR   9           H        THR   9   6.245  -9.959  -8.231
   81    HA   THR   9           HA       THR   9   7.362 -11.523 -10.451
   82    HB   THR   9           HB       THR   9   6.837 -13.513  -9.159
   83    HG1  THR   9           HG1      THR   9   5.911 -13.292  -7.075
   84   1HG2  THR   9          1HG2      THR   9   8.659 -11.476  -8.339
   85   2HG2  THR   9          2HG2      THR   9   8.818 -13.226  -8.182
   86   3HG2  THR   9          3HG2      THR   9   8.043 -12.294  -6.902
   87    H    GLY  10           H        GLY  10   4.439 -10.200  -9.231
   88   1HA   GLY  10          2HA       GLY  10   2.503 -10.005 -10.605
   89   2HA   GLY  10          1HA       GLY  10   2.977 -11.482 -11.431
   90    H    LYS  11           H        LYS  11   2.938 -11.129  -7.943
   91    HA   LYS  11           HA       LYS  11   0.947 -13.263  -7.800
   92   1HB   LYS  11          2HB       LYS  11   2.869 -13.724  -6.488
   93   2HB   LYS  11          1HB       LYS  11   2.881 -12.106  -5.799
   94   1HG   LYS  11          2HG       LYS  11   0.875 -12.591  -4.540
   95   2HG   LYS  11          1HG       LYS  11   0.765 -14.187  -5.286
   96   1HD   LYS  11          2HD       LYS  11   2.498 -15.035  -4.057
   97   2HD   LYS  11          1HD       LYS  11   3.287 -13.465  -3.888
   98   1HE   LYS  11          2HE       LYS  11   2.195 -12.993  -1.986
   99   2HE   LYS  11          1HE       LYS  11   0.666 -13.617  -2.602
  100   1HZ   LYS  11          1HZ       LYS  11   2.881 -15.156  -1.374
  101   2HZ   LYS  11          2HZ       LYS  11   1.598 -15.889  -2.196
  102   3HZ   LYS  11          3HZ       LYS  11   1.299 -14.982  -0.800
  103    H    THR  12           H        THR  12  -1.025 -13.047  -6.831
  104    HA   THR  12           HA       THR  12  -1.867 -10.301  -6.248
  105    HB   THR  12           HB       THR  12  -3.716 -12.659  -6.548
  106    HG1  THR  12           HG1      THR  12  -2.768 -12.692  -8.504
  107   1HG2  THR  12          1HG2      THR  12  -4.481 -10.005  -7.530
  108   2HG2  THR  12          2HG2      THR  12  -4.184 -10.073  -5.793
  109   3HG2  THR  12          3HG2      THR  12  -5.379 -11.144  -6.527
  110    H    VAL  13           H        VAL  13  -1.966  -9.703  -4.196
  111    HA   VAL  13           HA       VAL  13  -2.486 -11.752  -2.143
  112    HB   VAL  13           HB       VAL  13  -1.557  -9.830  -0.614
  113   1HG1  VAL  13          1HG1      VAL  13   0.527 -11.171  -2.276
  114   2HG1  VAL  13          2HG1      VAL  13  -0.581 -12.151  -1.314
  115   3HG1  VAL  13          3HG1      VAL  13   0.451 -10.957  -0.527
  116   1HG2  VAL  13          1HG2      VAL  13  -1.464  -8.333  -2.731
  117   2HG2  VAL  13          2HG2      VAL  13   0.039  -9.197  -3.061
  118   3HG2  VAL  13          3HG2      VAL  13  -0.138  -8.274  -1.569
  119    H    THR  14           H        THR  14  -3.988 -11.335  -0.510
  120    HA   THR  14           HA       THR  14  -5.940  -9.248  -1.184
  121    HB   THR  14           HB       THR  14  -7.001 -10.915   0.827
  122    HG1  THR  14           HG1      THR  14  -5.856 -12.429  -1.301
  123   1HG2  THR  14          1HG2      THR  14  -8.046  -9.758  -1.224
  124   2HG2  THR  14          2HG2      THR  14  -8.693 -11.323  -0.735
  125   3HG2  THR  14          3HG2      THR  14  -7.584 -11.216  -2.103
  126    H    ILE  15           H        ILE  15  -6.052  -7.491   0.031
  127    HA   ILE  15           HA       ILE  15  -5.355  -7.668   2.879
  128    HB   ILE  15           HB       ILE  15  -4.509  -5.339   1.166
  129   1HG1  ILE  15          2HG1      ILE  15  -2.836  -7.689   2.085
  130   2HG1  ILE  15          1HG1      ILE  15  -3.325  -7.368   0.424
  131   1HG2  ILE  15          1HG2      ILE  15  -3.334  -4.580   3.037
  132   2HG2  ILE  15          2HG2      ILE  15  -3.420  -6.147   3.840
  133   3HG2  ILE  15          3HG2      ILE  15  -4.868  -5.152   3.695
  134   1HD1  ILE  15          1HD1      ILE  15  -1.034  -6.698   0.781
  135   2HD1  ILE  15          2HD1      ILE  15  -1.525  -5.647   2.110
  136   3HD1  ILE  15          3HD1      ILE  15  -2.039  -5.285   0.462
  137    H    GLU  16           H        GLU  16  -6.451  -6.238   4.234
  138    HA   GLU  16           HA       GLU  16  -8.844  -5.040   3.032
  139   1HB   GLU  16          2HB       GLU  16  -9.959  -5.387   5.033
  140   2HB   GLU  16          1HB       GLU  16  -8.880  -6.774   4.976
  141   1HG   GLU  16          2HG       GLU  16  -7.291  -5.500   6.415
  142   2HG   GLU  16          1HG       GLU  16  -8.529  -4.256   6.581
  143    H    VAL  17           H        VAL  17  -9.065  -2.906   2.911
  144    HA   VAL  17           HA       VAL  17  -7.605  -1.195   4.786
  145    HB   VAL  17           HB       VAL  17  -6.795   0.276   3.059
  146   1HG1  VAL  17          1HG1      VAL  17  -5.164  -1.300   3.496
  147   2HG1  VAL  17          2HG1      VAL  17  -5.347  -1.439   1.748
  148   3HG1  VAL  17          3HG1      VAL  17  -6.108  -2.623   2.811
  149   1HG2  VAL  17          1HG2      VAL  17  -8.820  -0.524   1.524
  150   2HG2  VAL  17          2HG2      VAL  17  -7.551  -1.540   0.841
  151   3HG2  VAL  17          3HG2      VAL  17  -7.363   0.213   0.859
  152    H    GLU  18           H        GLU  18  -8.364   1.090   4.685
  153    HA   GLU  18           HA       GLU  18 -11.193   1.239   3.872
  154   1HB   GLU  18          2HB       GLU  18  -9.958   2.537   6.308
  155   2HB   GLU  18          1HB       GLU  18 -11.653   2.593   5.839
  156   1HG   GLU  18          2HG       GLU  18 -12.081   0.519   6.615
  157   2HG   GLU  18          1HG       GLU  18 -10.481  -0.091   6.193
  158    HA   PRO  19           HA       PRO  19 -10.314   4.809   1.461
  159   1HB   PRO  19          2HB       PRO  19 -12.675   6.054   2.776
  160   2HB   PRO  19          1HB       PRO  19 -12.330   5.834   1.058
  161   1HG   PRO  19          2HG       PRO  19 -14.125   4.300   2.294
  162   2HG   PRO  19          1HG       PRO  19 -13.040   3.626   1.062
  163   1HD   PRO  19          2HD       PRO  19 -12.921   3.376   4.037
  164   2HD   PRO  19          1HD       PRO  19 -12.527   2.180   2.786
  165    H    SER  20           H        SER  20 -10.984   5.179   4.887
  166    HA   SER  20           HA       SER  20  -9.850   7.829   5.024
  167   1HB   SER  20          2HB       SER  20 -10.411   7.788   7.331
  168   2HB   SER  20          1HB       SER  20 -11.719   6.932   6.514
  169    HG   SER  20           HG       SER  20 -10.873   5.002   7.200
  170    H    ASP  21           H        ASP  21  -8.374   5.095   4.383
  171    HA   ASP  21           HA       ASP  21  -6.240   5.235   6.355
  172   1HB   ASP  21          2HB       ASP  21  -6.834   3.386   4.055
  173   2HB   ASP  21          1HB       ASP  21  -5.279   3.355   4.879
  174    H    THR  22           H        THR  22  -4.155   5.878   5.954
  175    HA   THR  22           HA       THR  22  -3.791   7.523   3.559
  176    HB   THR  22           HB       THR  22  -1.614   8.144   4.919
  177    HG1  THR  22           HG1      THR  22  -2.069   6.537   6.560
  178   1HG2  THR  22          1HG2      THR  22  -3.042   9.831   6.219
  179   2HG2  THR  22          2HG2      THR  22  -4.428   9.067   5.440
  180   3HG2  THR  22          3HG2      THR  22  -3.179   9.837   4.460
  181    H    VAL  23           H        VAL  23  -1.800   7.431   2.356
  182    HA   VAL  23           HA       VAL  23  -1.063   4.995   1.396
  183    HB   VAL  23           HB       VAL  23   0.596   7.501   1.622
  184   1HG1  VAL  23          1HG1      VAL  23   2.168   6.523   0.032
  185   2HG1  VAL  23          2HG1      VAL  23   1.294   4.993   0.098
  186   3HG1  VAL  23          3HG1      VAL  23   2.126   5.596   1.532
  187   1HG2  VAL  23          1HG2      VAL  23   0.171   7.502  -0.869
  188   2HG2  VAL  23          2HG2      VAL  23  -1.234   7.783   0.158
  189   3HG2  VAL  23          3HG2      VAL  23  -0.987   6.204  -0.582
  190    H    GLU  24           H        GLU  24   0.399   6.680   4.147
  191    HA   GLU  24           HA       GLU  24   2.513   4.940   4.646
  192   1HB   GLU  24          2HB       GLU  24   2.375   5.759   6.999
  193   2HB   GLU  24          1HB       GLU  24   2.377   7.046   5.799
  194   1HG   GLU  24          2HG       GLU  24  -0.086   7.180   6.008
  195   2HG   GLU  24          1HG       GLU  24  -0.004   5.985   7.302
  196    H    ASN  25           H        ASN  25  -0.780   4.883   6.001
  197    HA   ASN  25           HA       ASN  25  -0.552   2.650   7.613
  198   1HB   ASN  25          2HB       ASN  25  -2.593   4.315   6.933
  199   2HB   ASN  25          1HB       ASN  25  -3.087   2.837   6.111
  200   1HD2  ASN  25          1HD2      ASN  25  -4.511   3.983   8.209
  201   2HD2  ASN  25          2HD2      ASN  25  -4.460   2.909   9.561
  202    H    PHE  26           H        PHE  26  -1.497   2.778   4.184
  203    HA   PHE  26           HA       PHE  26  -1.927   0.080   3.749
  204   1HB   PHE  26          2HB       PHE  26  -2.307   2.006   2.130
  205   2HB   PHE  26          1HB       PHE  26  -0.593   1.899   1.742
  206    HD1  PHE  26           HD1      PHE  26  -2.775  -0.989   2.471
  207    HD2  PHE  26           HD2      PHE  26  -0.793   1.292  -0.538
  208    HE1  PHE  26           HE1      PHE  26  -3.261  -2.753   0.821
  209    HE2  PHE  26           HE2      PHE  26  -1.278  -0.467  -2.196
  210    HZ   PHE  26           HZ       PHE  26  -2.513  -2.492  -1.516
  211    H    LYS  27           H        LYS  27   1.112   1.896   3.612
  212    HA   LYS  27           HA       LYS  27   2.748  -0.223   2.751
  213   1HB   LYS  27          2HB       LYS  27   3.281   2.338   4.229
  214   2HB   LYS  27          1HB       LYS  27   4.574   1.182   3.941
  215   1HG   LYS  27          2HG       LYS  27   3.834   1.317   1.472
  216   2HG   LYS  27          1HG       LYS  27   3.021   2.802   1.969
  217   1HD   LYS  27          2HD       LYS  27   5.422   3.234   3.071
  218   2HD   LYS  27          1HD       LYS  27   5.909   2.205   1.723
  219   1HE   LYS  27          2HE       LYS  27   4.017   4.148   0.808
  220   2HE   LYS  27          1HE       LYS  27   5.316   4.960   1.681
  221   1HZ   LYS  27          1HZ       LYS  27   5.362   3.853  -0.908
  222   2HZ   LYS  27          2HZ       LYS  27   6.500   3.050   0.050
  223   3HZ   LYS  27          3HZ       LYS  27   6.569   4.732  -0.111
  224    H    ALA  28           H        ALA  28   1.524   0.676   5.894
  225    HA   ALA  28           HA       ALA  28   3.297  -0.887   7.456
  226   1HB   ALA  28          1HB       ALA  28   0.482  -0.016   8.105
  227   2HB   ALA  28          2HB       ALA  28   1.939   0.935   8.390
  228   3HB   ALA  28          3HB       ALA  28   1.692  -0.581   9.256
  229    H    LYS  29           H        LYS  29   0.089  -1.517   6.086
  230    HA   LYS  29           HA       LYS  29  -0.260  -4.079   7.196
  231   1HB   LYS  29          2HB       LYS  29  -1.447  -2.606   4.879
  232   2HB   LYS  29          1HB       LYS  29  -1.769  -4.327   5.049
  233   1HG   LYS  29          2HG       LYS  29  -3.022  -4.049   6.942
  234   2HG   LYS  29          1HG       LYS  29  -2.196  -2.558   7.402
  235   1HD   LYS  29          2HD       LYS  29  -3.626  -2.355   4.867
  236   2HD   LYS  29          1HD       LYS  29  -4.678  -2.724   6.235
  237   1HE   LYS  29          2HE       LYS  29  -2.638  -0.548   6.452
  238   2HE   LYS  29          1HE       LYS  29  -4.167  -0.246   5.628
  239   1HZ   LYS  29          1HZ       LYS  29  -4.194   0.343   8.008
  240   2HZ   LYS  29          2HZ       LYS  29  -3.944  -1.283   8.400
  241   3HZ   LYS  29          3HZ       LYS  29  -5.361  -0.814   7.604
  242    H    ILE  30           H        ILE  30   1.084  -3.021   4.090
  243    HA   ILE  30           HA       ILE  30   1.526  -5.543   2.970
  244    HB   ILE  30           HB       ILE  30   3.148  -3.024   2.580
  245   1HG1  ILE  30          2HG1      ILE  30   0.912  -4.125   0.870
  246   2HG1  ILE  30          1HG1      ILE  30   0.674  -2.885   2.098
  247   1HG2  ILE  30          1HG2      ILE  30   3.703  -4.085   0.375
  248   2HG2  ILE  30          2HG2      ILE  30   3.015  -5.583   1.001
  249   3HG2  ILE  30          3HG2      ILE  30   4.424  -4.866   1.782
  250   1HD1  ILE  30          1HD1      ILE  30   1.118  -2.343  -0.477
  251   2HD1  ILE  30          2HD1      ILE  30   2.782  -2.359   0.108
  252   3HD1  ILE  30          3HD1      ILE  30   1.602  -1.269   0.836
  253    H    GLN  31           H        GLN  31   3.489  -3.616   5.176
  254    HA   GLN  31           HA       GLN  31   5.871  -5.030   5.073
  255   1HB   GLN  31          2HB       GLN  31   5.495  -2.898   6.307
  256   2HB   GLN  31          1HB       GLN  31   4.633  -3.804   7.543
  257   1HG   GLN  31          2HG       GLN  31   7.048  -5.135   7.288
  258   2HG   GLN  31          1HG       GLN  31   7.472  -3.427   7.162
  259   1HE2  GLN  31          1HE2      GLN  31   7.381  -2.156   8.938
  260   2HE2  GLN  31          2HE2      GLN  31   6.964  -2.723  10.515
  261    H    ASP  32           H        ASP  32   3.056  -5.606   7.171
  262    HA   ASP  32           HA       ASP  32   4.161  -7.861   8.476
  263   1HB   ASP  32          2HB       ASP  32   2.371  -6.801   9.589
  264   2HB   ASP  32          1HB       ASP  32   1.347  -6.837   8.155
  265    H    LYS  33           H        LYS  33   2.935  -7.453   5.340
  266    HA   LYS  33           HA       LYS  33   2.243 -10.279   5.048
  267   1HB   LYS  33          2HB       LYS  33   1.686  -7.802   3.506
  268   2HB   LYS  33          1HB       LYS  33   1.791  -9.304   2.599
  269   1HG   LYS  33          2HG       LYS  33   0.171 -10.051   4.636
  270   2HG   LYS  33          1HG       LYS  33  -0.275  -8.353   4.451
  271   1HD   LYS  33          2HD       LYS  33  -0.993  -8.651   2.257
  272   2HD   LYS  33          1HD       LYS  33  -0.071 -10.144   2.057
  273   1HE   LYS  33          2HE       LYS  33  -1.737 -10.818   4.093
  274   2HE   LYS  33          1HE       LYS  33  -2.753  -9.706   3.176
  275   1HZ   LYS  33          1HZ       LYS  33  -1.889 -12.370   2.517
  276   2HZ   LYS  33          2HZ       LYS  33  -1.678 -11.269   1.252
  277   3HZ   LYS  33          3HZ       LYS  33  -3.210 -11.486   1.935
  278    H    GLU  34           H        GLU  34   4.352  -7.857   3.491
  279    HA   GLU  34           HA       GLU  34   5.851 -10.038   2.234
  280   1HB   GLU  34          2HB       GLU  34   6.178  -7.076   1.761
  281   2HB   GLU  34          1HB       GLU  34   6.785  -8.391   0.765
  282   1HG   GLU  34          2HG       GLU  34   3.953  -7.469   1.103
  283   2HG   GLU  34          1HG       GLU  34   4.924  -7.520  -0.367
  284    H    GLY  35           H        GLY  35   6.069  -7.763   4.798
  285   1HA   GLY  35          2HA       GLY  35   7.696  -7.453   6.396
  286   2HA   GLY  35          1HA       GLY  35   8.496  -8.879   5.755
  287    H    ILE  36           H        ILE  36   7.748  -5.833   4.114
  288    HA   ILE  36           HA       ILE  36  10.645  -5.409   3.770
  289    HB   ILE  36           HB       ILE  36   8.539  -4.512   1.810
  290   1HG1  ILE  36          2HG1      ILE  36  10.276  -6.987   1.648
  291   2HG1  ILE  36          1HG1      ILE  36   8.550  -6.989   2.006
  292   1HG2  ILE  36          1HG2      ILE  36  11.391  -4.143   2.085
  293   2HG2  ILE  36          2HG2      ILE  36  10.252  -3.354   0.992
  294   3HG2  ILE  36          3HG2      ILE  36  10.984  -4.895   0.543
  295   1HD1  ILE  36          1HD1      ILE  36   8.513  -7.447  -0.221
  296   2HD1  ILE  36          2HD1      ILE  36   9.957  -6.493  -0.557
  297   3HD1  ILE  36          3HD1      ILE  36   8.415  -5.687  -0.270
  298    HA   PRO  37           HA       PRO  37   9.958  -1.672   6.108
  299   1HB   PRO  37          2HB       PRO  37  12.433  -0.881   4.651
  300   2HB   PRO  37          1HB       PRO  37  12.077  -0.821   6.381
  301   1HG   PRO  37          2HG       PRO  37  13.672  -2.709   5.385
  302   2HG   PRO  37          1HG       PRO  37  12.520  -3.080   6.681
  303   1HD   PRO  37          2HD       PRO  37  12.370  -3.718   3.769
  304   2HD   PRO  37          1HD       PRO  37  11.826  -4.671   5.164
  305    HA   PRO  38           HA       PRO  38   7.730   0.796   3.159
  306   1HB   PRO  38          2HB       PRO  38   8.377   2.929   5.144
  307   2HB   PRO  38          1HB       PRO  38   6.823   2.497   4.423
  308   1HG   PRO  38          2HG       PRO  38   7.394   1.789   6.923
  309   2HG   PRO  38          1HG       PRO  38   6.520   0.685   5.845
  310   1HD   PRO  38          2HD       PRO  38   9.368   0.614   6.730
  311   2HD   PRO  38          1HD       PRO  38   8.253  -0.728   6.403
  312    H    ASP  39           H        ASP  39  10.841   1.742   4.498
  313    HA   ASP  39           HA       ASP  39  11.427   3.931   2.885
  314   1HB   ASP  39          2HB       ASP  39  12.997   1.971   4.450
  315   2HB   ASP  39          1HB       ASP  39  13.880   2.823   3.185
  316    H    GLN  40           H        GLN  40  11.304   0.565   2.115
  317    HA   GLN  40           HA       GLN  40  12.432   1.134  -0.548
  318   1HB   GLN  40          2HB       GLN  40  12.210  -1.652   0.512
  319   2HB   GLN  40          1HB       GLN  40  13.348  -0.990  -0.653
  320   1HG   GLN  40          2HG       GLN  40  14.592   0.094   1.069
  321   2HG   GLN  40          1HG       GLN  40  13.369  -0.304   2.275
  322   1HE2  GLN  40          1HE2      GLN  40  15.543  -1.847  -0.060
  323   2HE2  GLN  40          2HE2      GLN  40  15.918  -3.213   0.930
  324    H    GLN  41           H        GLN  41   9.606   1.260   0.653
  325    HA   GLN  41           HA       GLN  41   8.260  -0.650  -1.116
  326   1HB   GLN  41          2HB       GLN  41   7.438   0.902   1.302
  327   2HB   GLN  41          1HB       GLN  41   6.201   0.422   0.149
  328   1HG   GLN  41          2HG       GLN  41   7.131  -1.936   0.382
  329   2HG   GLN  41          1HG       GLN  41   8.001  -1.325   1.790
  330   1HE2  GLN  41          1HE2      GLN  41   6.935  -2.467   3.328
  331   2HE2  GLN  41          2HE2      GLN  41   5.260  -2.259   3.694
  332    H    ARG  42           H        ARG  42   7.063  -0.042  -2.839
  333    HA   ARG  42           HA       ARG  42   6.642   2.824  -3.308
  334   1HB   ARG  42          2HB       ARG  42   7.986   0.855  -5.139
  335   2HB   ARG  42          1HB       ARG  42   7.182   2.283  -5.777
  336   1HG   ARG  42          2HG       ARG  42   8.944   2.975  -3.602
  337   2HG   ARG  42          1HG       ARG  42   9.801   2.092  -4.867
  338   1HD   ARG  42          2HD       ARG  42   9.994   4.237  -5.649
  339   2HD   ARG  42          1HD       ARG  42   8.511   3.728  -6.454
  340    HE   ARG  42           HE       ARG  42   7.465   5.411  -5.345
  341   1HH1  ARG  42          2HH1      ARG  42  10.180   4.373  -3.428
  342   2HH1  ARG  42          1HH1      ARG  42   9.910   5.541  -2.177
  343   1HH2  ARG  42          1HH2      ARG  42   7.097   6.952  -3.704
  344   2HH2  ARG  42          2HH2      ARG  42   8.157   7.006  -2.334
  345    H    LEU  43           H        LEU  43   4.469   2.870  -3.132
  346    HA   LEU  43           HA       LEU  43   2.893   0.840  -4.538
  347   1HB   LEU  43          2HB       LEU  43   1.857   2.971  -2.682
  348   2HB   LEU  43          1HB       LEU  43   1.039   1.510  -3.201
  349    HG   LEU  43           HG       LEU  43   3.492   1.557  -1.443
  350   1HD1  LEU  43          1HD1      LEU  43   0.936   2.308  -0.734
  351   2HD1  LEU  43          2HD1      LEU  43   2.202   1.752   0.362
  352   3HD1  LEU  43          3HD1      LEU  43   1.014   0.610  -0.264
  353   1HD2  LEU  43          1HD2      LEU  43   1.640  -0.758  -1.698
  354   2HD2  LEU  43          2HD2      LEU  43   3.364  -0.724  -1.324
  355   3HD2  LEU  43          3HD2      LEU  43   2.816  -0.471  -2.981
  356    H    ILE  44           H        ILE  44   2.426   1.326  -6.574
  357    HA   ILE  44           HA       ILE  44   1.750   4.118  -7.235
  358    HB   ILE  44           HB       ILE  44   2.965   1.955  -8.950
  359   1HG1  ILE  44          2HG1      ILE  44   4.667   3.812  -9.320
  360   2HG1  ILE  44          1HG1      ILE  44   3.872   4.676  -8.008
  361   1HG2  ILE  44          1HG2      ILE  44   1.410   2.923 -10.403
  362   2HG2  ILE  44          2HG2      ILE  44   2.911   3.789 -10.736
  363   3HG2  ILE  44          3HG2      ILE  44   1.662   4.538  -9.742
  364   1HD1  ILE  44          1HD1      ILE  44   5.899   2.737  -7.842
  365   2HD1  ILE  44          2HD1      ILE  44   4.443   2.024  -7.147
  366   3HD1  ILE  44          3HD1      ILE  44   5.059   3.555  -6.525
  367    H    PHE  45           H        PHE  45  -0.255   4.534  -7.912
  368    HA   PHE  45           HA       PHE  45  -1.876   2.349  -9.012
  369   1HB   PHE  45          2HB       PHE  45  -2.384   2.646  -6.577
  370   2HB   PHE  45          1HB       PHE  45  -2.894   4.294  -6.931
  371    HD1  PHE  45           HD1      PHE  45  -3.513   1.043  -8.662
  372    HD2  PHE  45           HD2      PHE  45  -5.174   4.443  -6.697
  373    HE1  PHE  45           HE1      PHE  45  -5.781   0.227  -9.177
  374    HE2  PHE  45           HE2      PHE  45  -7.445   3.634  -7.207
  375    HZ   PHE  45           HZ       PHE  45  -7.751   1.523  -8.449
  376    H    ALA  46           H        ALA  46  -3.080   2.907 -10.731
  377    HA   ALA  46           HA       ALA  46  -3.770   4.144 -12.519
  378   1HB   ALA  46          1HB       ALA  46  -4.675   6.524 -11.467
  379   2HB   ALA  46          2HB       ALA  46  -4.789   5.408 -10.106
  380   3HB   ALA  46          3HB       ALA  46  -5.608   5.035 -11.623
  381    H    GLY  47           H        GLY  47  -1.030   4.326 -12.128
  382   1HA   GLY  47          2HA       GLY  47   0.784   5.556 -12.808
  383   2HA   GLY  47          1HA       GLY  47  -0.362   6.562 -13.680
  384    H    LYS  48           H        LYS  48  -0.514   6.152 -10.217
  385    HA   LYS  48           HA       LYS  48   0.639   8.831  -9.848
  386   1HB   LYS  48          2HB       LYS  48  -2.101   8.043  -9.454
  387   2HB   LYS  48          1HB       LYS  48  -1.393   8.520  -7.916
  388   1HG   LYS  48          2HG       LYS  48  -0.906  10.294 -10.234
  389   2HG   LYS  48          1HG       LYS  48  -2.541  10.252  -9.570
  390   1HD   LYS  48          2HD       LYS  48  -1.000  10.423  -7.314
  391   2HD   LYS  48          1HD       LYS  48  -0.087  11.402  -8.464
  392   1HE   LYS  48          2HE       LYS  48  -2.985  11.868  -8.479
  393   2HE   LYS  48          1HE       LYS  48  -2.179  12.298  -6.971
  394   1HZ   LYS  48          1HZ       LYS  48  -0.632  13.243  -9.108
  395   2HZ   LYS  48          2HZ       LYS  48  -1.444  14.138  -7.926
  396   3HZ   LYS  48          3HZ       LYS  48  -2.232  13.732  -9.368
  397    H    GLN  49           H        GLN  49   2.180   8.859  -8.353
  398    HA   GLN  49           HA       GLN  49   2.780   6.532  -6.810
  399   1HB   GLN  49          2HB       GLN  49   4.221   8.706  -7.704
  400   2HB   GLN  49          1HB       GLN  49   4.110   9.001  -5.974
  401   1HG   GLN  49          2HG       GLN  49   5.146   6.916  -5.474
  402   2HG   GLN  49          1HG       GLN  49   5.060   6.408  -7.161
  403   1HE2  GLN  49          1HE2      GLN  49   6.599   8.591  -4.902
  404   2HE2  GLN  49          2HE2      GLN  49   7.989   8.926  -5.873
  405    H    LEU  50           H        LEU  50   2.201   6.030  -4.795
  406    HA   LEU  50           HA       LEU  50   0.289   7.644  -3.416
  407   1HB   LEU  50          2HB       LEU  50   1.562   4.995  -3.000
  408   2HB   LEU  50          1HB       LEU  50   0.881   5.786  -1.591
  409    HG   LEU  50           HG       LEU  50  -1.290   5.971  -2.855
  410   1HD1  LEU  50          1HD1      LEU  50  -1.549   5.202  -4.941
  411   2HD1  LEU  50          2HD1      LEU  50  -0.549   3.779  -4.646
  412   3HD1  LEU  50          3HD1      LEU  50   0.208   5.324  -5.037
  413   1HD2  LEU  50          1HD2      LEU  50  -1.978   4.024  -1.956
  414   2HD2  LEU  50          2HD2      LEU  50  -0.348   4.002  -1.284
  415   3HD2  LEU  50          3HD2      LEU  50  -0.712   3.085  -2.746
  416    H    GLU  51           H        GLU  51   0.691   9.269  -2.092
  417    HA   GLU  51           HA       GLU  51   3.368   9.519  -0.922
  418   1HB   GLU  51          2HB       GLU  51   1.185  11.466  -1.563
  419   2HB   GLU  51          1HB       GLU  51   2.372  11.873  -0.329
  420   1HG   GLU  51          2HG       GLU  51   4.166  11.516  -1.977
  421   2HG   GLU  51          1HG       GLU  51   2.943  11.197  -3.206
  422    H    ASP  52           H        ASP  52   3.716   9.258   1.192
  423    HA   ASP  52           HA       ASP  52   1.712   8.248   2.902
  424   1HB   ASP  52          2HB       ASP  52   4.392   9.404   3.692
  425   2HB   ASP  52          1HB       ASP  52   3.406   8.289   4.634
  426    H    GLY  53           H        GLY  53   0.379  10.312   2.193
  427   1HA   GLY  53          2HA       GLY  53   0.218  11.944   4.584
  428   2HA   GLY  53          1HA       GLY  53   0.601  12.819   3.111
  429    H    ARG  54           H        ARG  54  -1.096  11.000   1.463
  430    HA   ARG  54           HA       ARG  54  -3.645  12.254   2.166
  431   1HB   ARG  54          2HB       ARG  54  -4.025  12.519  -0.034
  432   2HB   ARG  54          1HB       ARG  54  -2.312  12.182  -0.220
  433   1HG   ARG  54          2HG       ARG  54  -4.521  10.143  -0.428
  434   2HG   ARG  54          1HG       ARG  54  -3.698  10.909  -1.786
  435   1HD   ARG  54          2HD       ARG  54  -1.639   9.881  -1.238
  436   2HD   ARG  54          1HD       ARG  54  -2.242   9.346   0.327
  437    HE   ARG  54           HE       ARG  54  -2.908   8.193  -2.283
  438   1HH1  ARG  54          2HH1      ARG  54  -3.146   8.051   1.203
  439   2HH1  ARG  54          1HH1      ARG  54  -3.740   6.427   1.212
  440   1HH2  ARG  54          1HH2      ARG  54  -3.686   6.065  -2.261
  441   2HH2  ARG  54          2HH2      ARG  54  -4.045   5.300  -0.750
  442    H    THR  55           H        THR  55  -5.577  10.855   1.253
  443    HA   THR  55           HA       THR  55  -5.293   8.170   2.440
  444    HB   THR  55           HB       THR  55  -7.664   8.256   3.015
  445    HG1  THR  55           HG1      THR  55  -8.620  10.491   2.776
  446   1HG2  THR  55          1HG2      THR  55  -6.815   9.063   4.923
  447   2HG2  THR  55          2HG2      THR  55  -7.322  10.653   4.354
  448   3HG2  THR  55          3HG2      THR  55  -5.673  10.098   4.066
  449    H    LEU  56           H        LEU  56  -6.769   6.515   1.559
  450    HA   LEU  56           HA       LEU  56  -6.461   6.126  -1.153
  451   1HB   LEU  56          2HB       LEU  56  -8.842   5.008   0.285
  452   2HB   LEU  56          1HB       LEU  56  -7.849   4.255  -0.949
  453    HG   LEU  56           HG       LEU  56  -7.251   4.605   1.973
  454   1HD1  LEU  56          1HD1      LEU  56  -6.584   2.128   1.494
  455   2HD1  LEU  56          2HD1      LEU  56  -7.603   2.334   0.071
  456   3HD1  LEU  56          3HD1      LEU  56  -8.281   2.569   1.682
  457   1HD2  LEU  56          1HD2      LEU  56  -5.258   3.796  -0.135
  458   2HD2  LEU  56          2HD2      LEU  56  -4.981   3.923   1.602
  459   3HD2  LEU  56          3HD2      LEU  56  -5.296   5.375   0.650
  460    H    SER  57           H        SER  57  -9.099   7.682   0.571
  461    HA   SER  57           HA       SER  57 -10.925   7.883  -1.550
  462   1HB   SER  57          2HB       SER  57 -11.805   9.877  -0.213
  463   2HB   SER  57          1HB       SER  57 -11.744   8.330   0.632
  464    HG   SER  57           HG       SER  57  -9.921   9.001   1.704
  465    H    ASP  58           H        ASP  58  -8.008   9.601  -0.876
  466    HA   ASP  58           HA       ASP  58  -8.592  11.923  -2.428
  467   1HB   ASP  58          2HB       ASP  58  -5.923  10.784  -1.570
  468   2HB   ASP  58          1HB       ASP  58  -6.182  12.395  -2.232
  469    H    TYR  59           H        TYR  59  -7.291   8.762  -3.115
  470    HA   TYR  59           HA       TYR  59  -6.595   9.563  -5.846
  471   1HB   TYR  59          2HB       TYR  59  -6.071   7.039  -4.271
  472   2HB   TYR  59          1HB       TYR  59  -5.693   7.200  -5.981
  473    HD1  TYR  59           HD1      TYR  59  -3.370   6.544  -5.111
  474    HD2  TYR  59           HD2      TYR  59  -5.243  10.262  -4.192
  475    HE1  TYR  59           HE1      TYR  59  -1.176   7.496  -4.529
  476    HE2  TYR  59           HE2      TYR  59  -3.051  11.227  -3.608
  477    HH   TYR  59           HH       TYR  59  -0.878  10.726  -3.147
  478    H    ASN  60           H        ASN  60  -9.375   9.126  -4.638
  479    HA   ASN  60           HA       ASN  60 -11.366   8.155  -5.198
  480   1HB   ASN  60          2HB       ASN  60 -10.542   7.748  -8.011
  481   2HB   ASN  60          1HB       ASN  60 -11.943   8.592  -7.357
  482   1HD2  ASN  60          1HD2      ASN  60 -11.591  10.725  -6.462
  483   2HD2  ASN  60          2HD2      ASN  60 -10.347  11.724  -7.127
  484    H    ILE  61           H        ILE  61  -9.589   6.321  -4.145
  485    HA   ILE  61           HA       ILE  61  -9.491   3.973  -5.817
  486    HB   ILE  61           HB       ILE  61  -8.791   4.411  -2.916
  487   1HG1  ILE  61          2HG1      ILE  61  -7.034   3.820  -5.306
  488   2HG1  ILE  61          1HG1      ILE  61  -7.315   5.433  -4.660
  489   1HG2  ILE  61          1HG2      ILE  61  -7.610   2.084  -3.448
  490   2HG2  ILE  61          2HG2      ILE  61  -9.011   1.926  -4.509
  491   3HG2  ILE  61          3HG2      ILE  61  -9.238   2.192  -2.780
  492   1HD1  ILE  61          1HD1      ILE  61  -5.749   3.179  -3.512
  493   2HD1  ILE  61          2HD1      ILE  61  -6.466   4.379  -2.436
  494   3HD1  ILE  61          3HD1      ILE  61  -5.322   4.882  -3.680
  495    H    GLN  62           H        GLN  62 -10.940   2.383  -5.927
  496    HA   GLN  62           HA       GLN  62 -13.187   2.433  -4.024
  497   1HB   GLN  62          2HB       GLN  62 -13.351   0.967  -6.619
  498   2HB   GLN  62          1HB       GLN  62 -14.621   1.770  -5.706
  499   1HG   GLN  62          2HG       GLN  62 -13.298   3.933  -6.342
  500   2HG   GLN  62          1HG       GLN  62 -12.654   2.911  -7.627
  501   1HE2  GLN  62          1HE2      GLN  62 -14.303   5.231  -7.920
  502   2HE2  GLN  62          2HE2      GLN  62 -15.760   4.726  -8.699
  503    H    LYS  63           H        LYS  63 -14.269   0.162  -3.887
  504    HA   LYS  63           HA       LYS  63 -12.372  -1.582  -2.701
  505   1HB   LYS  63          2HB       LYS  63 -14.225  -3.006  -2.195
  506   2HB   LYS  63          1HB       LYS  63 -14.771  -1.345  -2.004
  507   1HG   LYS  63          2HG       LYS  63 -15.226  -2.346  -4.688
  508   2HG   LYS  63          1HG       LYS  63 -16.020  -3.329  -3.455
  509   1HD   LYS  63          2HD       LYS  63 -16.373  -0.560  -2.833
  510   2HD   LYS  63          1HD       LYS  63 -16.854  -0.848  -4.506
  511   1HE   LYS  63          2HE       LYS  63 -17.838  -2.970  -2.866
  512   2HE   LYS  63          1HE       LYS  63 -18.294  -1.427  -2.145
  513   1HZ   LYS  63          1HZ       LYS  63 -18.779  -1.139  -4.833
  514   2HZ   LYS  63          2HZ       LYS  63 -19.934  -1.374  -3.619
  515   3HZ   LYS  63          3HZ       LYS  63 -19.324  -2.701  -4.472
  516    H    GLU  64           H        GLU  64 -12.020  -3.837  -3.280
  517    HA   GLU  64           HA       GLU  64 -11.405  -5.496  -4.710
  518   1HB   GLU  64          2HB       GLU  64 -13.388  -4.214  -6.599
  519   2HB   GLU  64          1HB       GLU  64 -12.693  -5.820  -6.770
  520   1HG   GLU  64          2HG       GLU  64 -14.668  -4.840  -4.744
  521   2HG   GLU  64          1HG       GLU  64 -14.823  -6.173  -5.888
  522    H    SER  65           H        SER  65 -10.514  -2.463  -4.968
  523    HA   SER  65           HA       SER  65  -9.398  -2.386  -7.615
  524   1HB   SER  65          2HB       SER  65  -9.194  -0.622  -5.188
  525   2HB   SER  65          1HB       SER  65  -8.129  -0.375  -6.572
  526    HG   SER  65           HG       SER  65 -10.965  -0.429  -6.681
  527    H    THR  66           H        THR  66  -7.154  -2.391  -8.133
  528    HA   THR  66           HA       THR  66  -5.519  -3.912  -6.210
  529    HB   THR  66           HB       THR  66  -5.225  -3.966  -9.215
  530    HG1  THR  66           HG1      THR  66  -6.116  -6.223  -8.709
  531   1HG2  THR  66          1HG2      THR  66  -3.856  -5.944  -8.787
  532   2HG2  THR  66          2HG2      THR  66  -4.117  -5.759  -7.051
  533   3HG2  THR  66          3HG2      THR  66  -3.207  -4.539  -7.942
  534    H    ILE  67           H        ILE  67  -3.240  -3.499  -6.206
  535    HA   ILE  67           HA       ILE  67  -2.386  -0.999  -7.470
  536    HB   ILE  67           HB       ILE  67  -2.057  -1.595  -4.527
  537   1HG1  ILE  67          2HG1      ILE  67  -3.380   0.830  -5.706
  538   2HG1  ILE  67          1HG1      ILE  67  -4.288  -0.666  -5.505
  539   1HG2  ILE  67          1HG2      ILE  67  -1.083   0.793  -4.597
  540   2HG2  ILE  67          2HG2      ILE  67  -0.840   0.474  -6.315
  541   3HG2  ILE  67          3HG2      ILE  67  -0.066  -0.553  -5.109
  542   1HD1  ILE  67          1HD1      ILE  67  -3.771  -0.633  -3.108
  543   2HD1  ILE  67          2HD1      ILE  67  -4.659   0.799  -3.629
  544   3HD1  ILE  67          3HD1      ILE  67  -2.924   0.898  -3.328
  545    H    HIS  68           H        HIS  68  -0.128  -0.799  -7.749
  546    HA   HIS  68           HA       HIS  68   1.268  -3.375  -7.689
  547   1HB   HIS  68          2HB       HIS  68   1.851  -0.829  -9.214
  548   2HB   HIS  68          1HB       HIS  68   2.849  -2.277  -9.280
  549    HD1  HIS  68           HD1      HIS  68   2.421  -3.476 -11.388
  550    HD2  HIS  68           HD2      HIS  68  -1.050  -1.785  -9.853
  551    HE1  HIS  68           HE1      HIS  68   0.592  -4.132 -12.983
  552    HE2  HIS  68           HE2      HIS  68  -1.484  -3.022 -12.082
  553    H    LEU  69           H        LEU  69   3.100  -3.710  -6.552
  554    HA   LEU  69           HA       LEU  69   4.124  -1.450  -4.960
  555   1HB   LEU  69          2HB       LEU  69   3.219  -2.865  -3.368
  556   2HB   LEU  69          1HB       LEU  69   3.630  -4.313  -4.269
  557    HG   LEU  69           HG       LEU  69   6.057  -3.821  -3.713
  558   1HD1  LEU  69          1HD1      LEU  69   6.486  -2.386  -1.800
  559   2HD1  LEU  69          2HD1      LEU  69   4.780  -1.948  -1.725
  560   3HD1  LEU  69          3HD1      LEU  69   5.754  -1.464  -3.113
  561   1HD2  LEU  69          1HD2      LEU  69   4.974  -4.235  -1.082
  562   2HD2  LEU  69          2HD2      LEU  69   5.781  -5.378  -2.154
  563   3HD2  LEU  69          3HD2      LEU  69   4.041  -5.126  -2.282
  564    H    VAL  70           H        VAL  70   6.207  -0.937  -5.196
  565    HA   VAL  70           HA       VAL  70   7.975  -2.887  -6.526
  566    HB   VAL  70           HB       VAL  70   8.894  -0.196  -6.944
  567   1HG1  VAL  70          1HG1      VAL  70   9.536  -2.192  -8.230
  568   2HG1  VAL  70          2HG1      VAL  70   8.938  -0.894  -9.262
  569   3HG1  VAL  70          3HG1      VAL  70   7.904  -2.273  -8.891
  570   1HG2  VAL  70          1HG2      VAL  70   6.022  -0.729  -7.589
  571   2HG2  VAL  70          2HG2      VAL  70   6.988   0.321  -8.625
  572   3HG2  VAL  70          3HG2      VAL  70   6.770   0.723  -6.922
  573    H    LEU  71           H        LEU  71  10.260  -2.645  -6.059
  574    HA   LEU  71           HA       LEU  71  10.681  -1.909  -3.267
  575   1HB   LEU  71          2HB       LEU  71  11.670  -3.945  -4.988
  576   2HB   LEU  71          1HB       LEU  71  13.035  -2.968  -4.481
  577    HG   LEU  71           HG       LEU  71  12.583  -4.961  -3.039
  578   1HD1  LEU  71          1HD1      LEU  71  12.165  -2.808  -1.135
  579   2HD1  LEU  71          2HD1      LEU  71  13.383  -2.417  -2.350
  580   3HD1  LEU  71          3HD1      LEU  71  13.556  -3.866  -1.361
  581   1HD2  LEU  71          1HD2      LEU  71   9.982  -4.299  -3.236
  582   2HD2  LEU  71          2HD2      LEU  71  10.375  -3.565  -1.680
  583   3HD2  LEU  71          3HD2      LEU  71  10.647  -5.289  -1.936
  584    H    ARG  72           H        ARG  72  11.916  -1.157  -6.488
  585    HA   ARG  72           HA       ARG  72  12.816   0.824  -7.244
  586   1HB   ARG  72          2HB       ARG  72  11.772   1.647  -4.861
  587   2HB   ARG  72          1HB       ARG  72  13.486   1.944  -4.603
  588   1HG   ARG  72          2HG       ARG  72  13.216   3.033  -7.033
  589   2HG   ARG  72          1HG       ARG  72  11.579   3.273  -6.419
  590   1HD   ARG  72          2HD       ARG  72  12.548   4.332  -4.397
  591   2HD   ARG  72          1HD       ARG  72  14.146   4.184  -5.126
  592    HE   ARG  72           HE       ARG  72  12.550   5.526  -6.952
  593   1HH1  ARG  72          2HH1      ARG  72  13.749   6.018  -3.721
  594   2HH1  ARG  72          1HH1      ARG  72  13.780   7.744  -3.856
  595   1HH2  ARG  72          1HH2      ARG  72  12.585   7.799  -7.142
  596   2HH2  ARG  72          2HH2      ARG  72  13.117   8.757  -5.800
  597    H    LEU  73           H        LEU  73  14.714   0.294  -8.109
  598    HA   LEU  73           HA       LEU  73  17.078   0.290  -6.413
  599   1HB   LEU  73          2HB       LEU  73  15.901  -2.116  -7.298
  600   2HB   LEU  73          1HB       LEU  73  17.330  -1.875  -8.284
  601    HG   LEU  73           HG       LEU  73  18.434  -1.408  -5.905
  602   1HD1  LEU  73          1HD1      LEU  73  16.898  -1.729  -4.294
  603   2HD1  LEU  73          2HD1      LEU  73  17.271  -3.434  -4.549
  604   3HD1  LEU  73          3HD1      LEU  73  15.863  -2.712  -5.329
  605   1HD2  LEU  73          1HD2      LEU  73  18.342  -3.540  -7.741
  606   2HD2  LEU  73          2HD2      LEU  73  18.237  -4.250  -6.129
  607   3HD2  LEU  73          3HD2      LEU  73  19.586  -3.191  -6.540
  608    H    ARG  74           H        ARG  74  16.551   2.324  -7.998
  609    HA   ARG  74           HA       ARG  74  18.636   2.168  -9.994
  610   1HB   ARG  74          2HB       ARG  74  16.404   1.450 -11.072
  611   2HB   ARG  74          1HB       ARG  74  15.944   3.140 -10.920
  612   1HG   ARG  74          2HG       ARG  74  16.868   3.405 -12.925
  613   2HG   ARG  74          1HG       ARG  74  18.420   3.295 -12.091
  614   1HD   ARG  74          2HD       ARG  74  17.438   0.660 -12.549
  615   2HD   ARG  74          1HD       ARG  74  17.348   1.563 -14.061
  616    HE   ARG  74           HE       ARG  74  19.848   2.075 -13.011
  617   1HH1  ARG  74          2HH1      ARG  74  18.054  -0.720 -14.062
  618   2HH1  ARG  74          1HH1      ARG  74  19.462  -1.599 -14.555
  619   1HH2  ARG  74          1HH2      ARG  74  21.708   0.925 -13.659
  620   2HH2  ARG  74          2HH2      ARG  74  21.540  -0.664 -14.326
  621    H    GLY  75           H        GLY  75  19.821   3.814  -9.235
  622   1HA   GLY  75          2HA       GLY  75  20.403   5.917  -8.511
  623   2HA   GLY  75          1HA       GLY  75  19.219   6.461  -9.690
  624    H    GLY  76           HN       GLY  76  18.544   4.557  -6.798
  625   1HA   GLY  76          2HA       GLY  76  16.494   6.395  -5.996
  626   2HA   GLY  76          1HA       GLY  76  17.001   4.955  -5.126
  Start of MODEL   13
    1   2H    MET   1          2H        MET   1 -13.451  -2.743   3.792
    2   3H    MET   1          3H        MET   1 -14.075  -1.275   3.230
    3   1H    MET   1          1H        MET   1 -12.408  -1.455   3.457
    4    HA   MET   1           HA       MET   1 -13.946  -3.106   1.553
    5   1HB   MET   1          2HB       MET   1 -13.216  -1.618  -0.226
    6   2HB   MET   1          1HB       MET   1 -14.166  -0.722   0.951
    7   1HG   MET   1          2HG       MET   1 -11.890  -0.103   1.985
    8   2HG   MET   1          1HG       MET   1 -11.225  -0.624   0.438
    9   1HE   MET   1          1HE       MET   1 -10.794   2.880  -0.471
   10   2HE   MET   1          2HE       MET   1 -10.930   1.502  -1.563
   11   3HE   MET   1          3HE       MET   1 -10.132   1.314  -0.003
   12    H    GLN   2           H        GLN   2 -12.662  -4.388   0.243
   13    HA   GLN   2           HA       GLN   2  -9.936  -4.791   1.242
   14   1HB   GLN   2          2HB       GLN   2 -12.026  -6.527   0.126
   15   2HB   GLN   2          1HB       GLN   2 -10.413  -6.862  -0.488
   16   1HG   GLN   2          2HG       GLN   2 -10.581  -6.518   2.419
   17   2HG   GLN   2          1HG       GLN   2 -11.451  -7.911   1.776
   18   1HE2  GLN   2          1HE2      GLN   2  -9.522  -8.573   3.378
   19   2HE2  GLN   2          2HE2      GLN   2  -8.117  -9.128   2.542
   20    H    VAL   3           H        VAL   3  -8.211  -5.256  -0.269
   21    HA   VAL   3           HA       VAL   3  -8.606  -4.224  -2.981
   22    HB   VAL   3           HB       VAL   3  -6.648  -2.804  -2.869
   23   1HG1  VAL   3          1HG1      VAL   3  -7.475  -1.135  -1.155
   24   2HG1  VAL   3          2HG1      VAL   3  -8.703  -2.325  -0.726
   25   3HG1  VAL   3          3HG1      VAL   3  -8.651  -1.661  -2.359
   26   1HG2  VAL   3          1HG2      VAL   3  -6.224  -4.224  -0.360
   27   2HG2  VAL   3          2HG2      VAL   3  -6.018  -2.478  -0.211
   28   3HG2  VAL   3          3HG2      VAL   3  -5.070  -3.379  -1.394
   29    H    PHE   4           H        PHE   4  -6.653  -4.626  -4.367
   30    HA   PHE   4           HA       PHE   4  -5.330  -7.134  -3.560
   31   1HB   PHE   4          2HB       PHE   4  -5.755  -6.399  -6.437
   32   2HB   PHE   4          1HB       PHE   4  -5.541  -7.991  -5.716
   33    HD1  PHE   4           HD1      PHE   4  -7.790  -6.319  -7.496
   34    HD2  PHE   4           HD2      PHE   4  -7.523  -8.155  -3.657
   35    HE1  PHE   4           HE1      PHE   4 -10.235  -6.632  -7.480
   36    HE2  PHE   4           HE2      PHE   4  -9.967  -8.473  -3.634
   37    HZ   PHE   4           HZ       PHE   4 -11.325  -7.710  -5.547
   38    H    LEU   5           H        LEU   5  -3.162  -7.200  -3.632
   39    HA   LEU   5           HA       LEU   5  -1.777  -4.862  -4.768
   40   1HB   LEU   5          2HB       LEU   5  -1.698  -5.569  -2.217
   41   2HB   LEU   5          1HB       LEU   5  -0.463  -6.669  -2.798
   42    HG   LEU   5           HG       LEU   5   0.364  -4.323  -3.910
   43   1HD1  LEU   5          1HD1      LEU   5   0.106  -2.531  -2.428
   44   2HD1  LEU   5          2HD1      LEU   5  -0.531  -3.566  -1.149
   45   3HD1  LEU   5          3HD1      LEU   5  -1.511  -3.221  -2.574
   46   1HD2  LEU   5          1HD2      LEU   5   1.755  -5.928  -2.723
   47   2HD2  LEU   5          2HD2      LEU   5   1.058  -5.415  -1.186
   48   3HD2  LEU   5          3HD2      LEU   5   2.042  -4.294  -2.126
   49    H    LYS   6           H        LYS   6  -0.344  -5.155  -6.359
   50    HA   LYS   6           HA       LYS   6   0.234  -7.909  -7.185
   51   1HB   LYS   6          2HB       LYS   6   0.194  -5.281  -8.641
   52   2HB   LYS   6          1HB       LYS   6   1.050  -6.664  -9.309
   53   1HG   LYS   6          2HG       LYS   6  -1.099  -7.953  -9.118
   54   2HG   LYS   6          1HG       LYS   6  -1.888  -6.423  -8.728
   55   1HD   LYS   6          2HD       LYS   6  -2.141  -6.123 -10.922
   56   2HD   LYS   6          1HD       LYS   6  -0.398  -5.857 -10.996
   57   1HE   LYS   6          2HE       LYS   6  -1.814  -8.499 -11.336
   58   2HE   LYS   6          1HE       LYS   6  -1.099  -7.532 -12.625
   59   1HZ   LYS   6          1HZ       LYS   6   0.189  -9.509 -11.470
   60   2HZ   LYS   6          2HZ       LYS   6   0.633  -8.280 -10.397
   61   3HZ   LYS   6          3HZ       LYS   6   0.991  -8.135 -12.044
   62    H    THR   7           H        THR   7   2.355  -8.566  -7.694
   63    HA   THR   7           HA       THR   7   4.441  -6.916  -6.428
   64    HB   THR   7           HB       THR   7   5.384  -8.747  -5.496
   65    HG1  THR   7           HG1      THR   7   5.121 -10.890  -6.671
   66   1HG2  THR   7          1HG2      THR   7   2.602  -9.723  -6.121
   67   2HG2  THR   7          2HG2      THR   7   3.177  -8.962  -4.638
   68   3HG2  THR   7          3HG2      THR   7   3.710 -10.590  -5.058
   69    H    LEU   8           H        LEU   8   6.708  -7.890  -7.290
   70    HA   LEU   8           HA       LEU   8   6.795  -7.085 -10.057
   71   1HB   LEU   8          2HB       LEU   8   9.162  -8.193  -8.605
   72   2HB   LEU   8          1HB       LEU   8   9.094  -6.921  -9.811
   73    HG   LEU   8           HG       LEU   8   8.135  -6.659  -6.960
   74   1HD1  LEU   8          1HD1      LEU   8  10.584  -6.879  -7.168
   75   2HD1  LEU   8          2HD1      LEU   8  10.084  -5.286  -6.600
   76   3HD1  LEU   8          3HD1      LEU   8  10.589  -5.506  -8.275
   77   1HD2  LEU   8          1HD2      LEU   8   8.137  -4.211  -7.582
   78   2HD2  LEU   8          2HD2      LEU   8   6.860  -5.191  -8.303
   79   3HD2  LEU   8          3HD2      LEU   8   8.265  -4.730  -9.263
   80    H    THR   9           H        THR   9   6.179  -9.966  -8.538
   81    HA   THR   9           HA       THR   9   7.424 -11.585 -10.648
   82    HB   THR   9           HB       THR   9   7.088 -13.511  -9.256
   83    HG1  THR   9           HG1      THR   9   5.280 -13.376  -8.125
   84   1HG2  THR   9          1HG2      THR   9   8.906 -11.713  -8.700
   85   2HG2  THR   9          2HG2      THR   9   8.632 -13.061  -7.596
   86   3HG2  THR   9          3HG2      THR   9   7.945 -11.477  -7.240
   87    H    GLY  10           H        GLY  10   4.360 -10.576  -9.328
   88   1HA   GLY  10          2HA       GLY  10   2.483 -10.510 -10.893
   89   2HA   GLY  10          1HA       GLY  10   3.016 -12.075 -11.488
   90    H    LYS  11           H        LYS  11   2.837 -11.154  -8.096
   91    HA   LYS  11           HA       LYS  11   0.825 -13.263  -7.716
   92   1HB   LYS  11          2HB       LYS  11   3.238 -12.793  -6.416
   93   2HB   LYS  11          1HB       LYS  11   2.025 -12.212  -5.283
   94   1HG   LYS  11          2HG       LYS  11   0.994 -14.622  -6.121
   95   2HG   LYS  11          1HG       LYS  11   2.730 -14.928  -6.034
   96   1HD   LYS  11          2HD       LYS  11   1.526 -13.450  -3.771
   97   2HD   LYS  11          1HD       LYS  11   1.098 -15.156  -3.923
   98   1HE   LYS  11          2HE       LYS  11   3.078 -15.777  -3.127
   99   2HE   LYS  11          1HE       LYS  11   3.917 -14.808  -4.337
  100   1HZ   LYS  11          1HZ       LYS  11   4.507 -13.412  -2.744
  101   2HZ   LYS  11          2HZ       LYS  11   3.679 -14.328  -1.587
  102   3HZ   LYS  11          3HZ       LYS  11   2.885 -13.076  -2.400
  103    H    THR  12           H        THR  12  -1.073 -12.875  -6.632
  104    HA   THR  12           HA       THR  12  -1.677 -10.041  -6.099
  105    HB   THR  12           HB       THR  12  -3.705 -12.189  -6.716
  106    HG1  THR  12           HG1      THR  12  -2.210 -11.779  -8.489
  107   1HG2  THR  12          1HG2      THR  12  -3.801  -9.342  -6.052
  108   2HG2  THR  12          2HG2      THR  12  -5.070 -10.565  -5.980
  109   3HG2  THR  12          3HG2      THR  12  -4.706  -9.760  -7.507
  110    H    VAL  13           H        VAL  13  -2.041  -9.495  -4.059
  111    HA   VAL  13           HA       VAL  13  -2.777 -11.615  -2.148
  112    HB   VAL  13           HB       VAL  13  -1.790 -10.145  -0.394
  113   1HG1  VAL  13          1HG1      VAL  13  -0.552 -11.910  -2.056
  114   2HG1  VAL  13          2HG1      VAL  13   0.187 -11.182  -0.629
  115   3HG1  VAL  13          3HG1      VAL  13   0.475 -10.485  -2.223
  116   1HG2  VAL  13          1HG2      VAL  13  -0.456  -8.594  -2.577
  117   2HG2  VAL  13          2HG2      VAL  13  -0.634  -8.195  -0.867
  118   3HG2  VAL  13          3HG2      VAL  13  -2.023  -8.086  -1.948
  119    H    THR  14           H        THR  14  -4.277 -11.118  -0.491
  120    HA   THR  14           HA       THR  14  -6.106  -8.924  -1.201
  121    HB   THR  14           HB       THR  14  -7.338 -10.723   0.632
  122    HG1  THR  14           HG1      THR  14  -6.434 -12.548   0.051
  123   1HG2  THR  14          1HG2      THR  14  -8.500 -11.191  -1.804
  124   2HG2  THR  14          2HG2      THR  14  -7.775  -9.601  -2.036
  125   3HG2  THR  14          3HG2      THR  14  -8.916  -9.866  -0.718
  126    H    ILE  15           H        ILE  15  -6.312  -7.280   0.160
  127    HA   ILE  15           HA       ILE  15  -5.720  -7.695   3.008
  128    HB   ILE  15           HB       ILE  15  -4.835  -5.212   1.554
  129   1HG1  ILE  15          2HG1      ILE  15  -3.378  -7.807   1.991
  130   2HG1  ILE  15          1HG1      ILE  15  -3.493  -6.841   0.523
  131   1HG2  ILE  15          1HG2      ILE  15  -5.054  -5.915   4.266
  132   2HG2  ILE  15          2HG2      ILE  15  -4.305  -4.474   3.578
  133   3HG2  ILE  15          3HG2      ILE  15  -3.331  -5.911   3.889
  134   1HD1  ILE  15          1HD1      ILE  15  -2.227  -5.091   2.094
  135   2HD1  ILE  15          2HD1      ILE  15  -1.392  -6.284   1.100
  136   3HD1  ILE  15          3HD1      ILE  15  -1.660  -6.597   2.815
  137    H    GLU  16           H        GLU  16  -6.869  -6.385   4.439
  138    HA   GLU  16           HA       GLU  16  -9.237  -5.123   3.262
  139   1HB   GLU  16          2HB       GLU  16  -9.622  -6.878   4.937
  140   2HB   GLU  16          1HB       GLU  16  -8.686  -5.967   6.113
  141   1HG   GLU  16          2HG       GLU  16 -10.600  -5.069   6.769
  142   2HG   GLU  16          1HG       GLU  16 -10.596  -4.166   5.254
  143    H    VAL  17           H        VAL  17  -9.409  -2.989   3.184
  144    HA   VAL  17           HA       VAL  17  -8.062  -1.353   5.204
  145    HB   VAL  17           HB       VAL  17  -7.136   0.170   3.593
  146   1HG1  VAL  17          1HG1      VAL  17  -5.541  -1.365   2.385
  147   2HG1  VAL  17          2HG1      VAL  17  -6.470  -2.713   3.042
  148   3HG1  VAL  17          3HG1      VAL  17  -5.648  -1.595   4.132
  149   1HG2  VAL  17          1HG2      VAL  17  -8.827  -1.351   1.714
  150   2HG2  VAL  17          2HG2      VAL  17  -7.253  -0.841   1.102
  151   3HG2  VAL  17          3HG2      VAL  17  -8.388   0.358   1.722
  152    H    GLU  18           H        GLU  18  -8.803   0.944   5.118
  153    HA   GLU  18           HA       GLU  18 -11.621   1.076   4.272
  154   1HB   GLU  18          2HB       GLU  18 -10.267   2.385   6.635
  155   2HB   GLU  18          1HB       GLU  18 -11.923   2.705   6.138
  156   1HG   GLU  18          2HG       GLU  18 -12.693   0.721   6.916
  157   2HG   GLU  18          1HG       GLU  18 -11.171  -0.117   6.615
  158    HA   PRO  19           HA       PRO  19 -10.844   4.465   1.588
  159   1HB   PRO  19          2HB       PRO  19 -13.112   5.826   2.959
  160   2HB   PRO  19          1HB       PRO  19 -12.861   5.513   1.239
  161   1HG   PRO  19          2HG       PRO  19 -14.603   4.068   2.645
  162   2HG   PRO  19          1HG       PRO  19 -13.591   3.316   1.398
  163   1HD   PRO  19          2HD       PRO  19 -13.330   3.216   4.371
  164   2HD   PRO  19          1HD       PRO  19 -12.995   1.957   3.164
  165    H    SER  20           H        SER  20 -11.405   5.153   5.001
  166    HA   SER  20           HA       SER  20 -10.095   7.729   4.849
  167   1HB   SER  20          2HB       SER  20 -10.385   7.491   7.449
  168   2HB   SER  20          1HB       SER  20 -11.790   7.795   6.429
  169    HG   SER  20           HG       SER  20 -12.029   6.059   7.994
  170    H    ASP  21           H        ASP  21  -8.682   5.061   4.336
  171    HA   ASP  21           HA       ASP  21  -6.700   5.003   6.455
  172   1HB   ASP  21          2HB       ASP  21  -7.226   3.351   4.006
  173   2HB   ASP  21          1HB       ASP  21  -5.663   3.257   4.811
  174    H    THR  22           H        THR  22  -4.525   5.532   6.215
  175    HA   THR  22           HA       THR  22  -3.987   7.447   4.070
  176    HB   THR  22           HB       THR  22  -2.392   8.447   5.419
  177    HG1  THR  22           HG1      THR  22  -2.200   6.397   7.313
  178   1HG2  THR  22          1HG2      THR  22  -3.335   8.642   7.678
  179   2HG2  THR  22          2HG2      THR  22  -4.338   7.222   7.381
  180   3HG2  THR  22          3HG2      THR  22  -4.595   8.696   6.446
  181    H    VAL  23           H        VAL  23  -2.153   7.342   2.770
  182    HA   VAL  23           HA       VAL  23  -1.422   4.979   1.652
  183    HB   VAL  23           HB       VAL  23   0.264   7.460   1.970
  184   1HG1  VAL  23          1HG1      VAL  23   1.691   6.611   0.204
  185   2HG1  VAL  23          2HG1      VAL  23   0.748   5.123   0.127
  186   3HG1  VAL  23          3HG1      VAL  23   1.692   5.496   1.569
  187   1HG2  VAL  23          1HG2      VAL  23  -0.375   7.746  -0.444
  188   2HG2  VAL  23          2HG2      VAL  23  -1.704   7.895   0.705
  189   3HG2  VAL  23          3HG2      VAL  23  -1.508   6.413  -0.228
  190    H    GLU  24           H        GLU  24   0.105   6.533   4.438
  191    HA   GLU  24           HA       GLU  24   2.271   4.798   4.748
  192   1HB   GLU  24          2HB       GLU  24   0.719   6.223   6.917
  193   2HB   GLU  24          1HB       GLU  24   2.346   5.571   7.071
  194   1HG   GLU  24          2HG       GLU  24   3.066   7.592   6.518
  195   2HG   GLU  24          1HG       GLU  24   2.532   7.225   4.878
  196    H    ASN  25           H        ASN  25  -0.818   4.737   6.538
  197    HA   ASN  25           HA       ASN  25  -0.507   2.415   7.940
  198   1HB   ASN  25          2HB       ASN  25  -2.469   3.709   8.312
  199   2HB   ASN  25          1HB       ASN  25  -2.973   3.561   6.631
  200   1HD2  ASN  25          1HD2      ASN  25  -4.942   2.670   7.031
  201   2HD2  ASN  25          2HD2      ASN  25  -5.158   1.090   7.694
  202    H    PHE  26           H        PHE  26  -1.246   2.779   4.532
  203    HA   PHE  26           HA       PHE  26  -1.894   0.048   4.056
  204   1HB   PHE  26          2HB       PHE  26  -2.419   2.110   2.589
  205   2HB   PHE  26          1HB       PHE  26  -0.785   1.905   1.965
  206    HD1  PHE  26           HD1      PHE  26  -1.754  -1.286   2.748
  207    HD2  PHE  26           HD2      PHE  26  -2.615   1.795  -0.072
  208    HE1  PHE  26           HE1      PHE  26  -2.578  -2.979   1.155
  209    HE2  PHE  26           HE2      PHE  26  -3.441   0.108  -1.669
  210    HZ   PHE  26           HZ       PHE  26  -3.422  -2.281  -1.056
  211    H    LYS  27           H        LYS  27   1.064   1.966   3.663
  212    HA   LYS  27           HA       LYS  27   2.669  -0.038   2.547
  213   1HB   LYS  27          2HB       LYS  27   3.367   2.346   4.263
  214   2HB   LYS  27          1HB       LYS  27   4.581   1.307   3.531
  215   1HG   LYS  27          2HG       LYS  27   3.756   1.866   1.316
  216   2HG   LYS  27          1HG       LYS  27   2.491   2.871   2.028
  217   1HD   LYS  27          2HD       LYS  27   3.911   4.583   1.932
  218   2HD   LYS  27          1HD       LYS  27   4.868   3.774   3.175
  219   1HE   LYS  27          2HE       LYS  27   6.013   2.520   1.313
  220   2HE   LYS  27          1HE       LYS  27   5.198   3.604   0.187
  221   1HZ   LYS  27          1HZ       LYS  27   6.629   4.895   2.354
  222   2HZ   LYS  27          2HZ       LYS  27   6.544   5.306   0.716
  223   3HZ   LYS  27          3HZ       LYS  27   7.599   4.087   1.227
  224    H    ALA  28           H        ALA  28   1.776   0.651   5.861
  225    HA   ALA  28           HA       ALA  28   3.680  -1.078   7.080
  226   1HB   ALA  28          1HB       ALA  28   2.055  -0.906   9.050
  227   2HB   ALA  28          2HB       ALA  28   1.142   0.211   8.035
  228   3HB   ALA  28          3HB       ALA  28   2.806   0.585   8.480
  229    H    LYS  29           H        LYS  29   0.286  -1.441   6.122
  230    HA   LYS  29           HA       LYS  29  -0.160  -3.992   7.166
  231   1HB   LYS  29          2HB       LYS  29  -1.340  -2.990   4.579
  232   2HB   LYS  29          1HB       LYS  29  -2.051  -4.119   5.725
  233   1HG   LYS  29          2HG       LYS  29  -1.653  -1.876   7.255
  234   2HG   LYS  29          1HG       LYS  29  -2.104  -1.210   5.684
  235   1HD   LYS  29          2HD       LYS  29  -4.171  -2.307   5.682
  236   2HD   LYS  29          1HD       LYS  29  -3.673  -3.434   6.946
  237   1HE   LYS  29          2HE       LYS  29  -4.250  -0.493   7.248
  238   2HE   LYS  29          1HE       LYS  29  -5.191  -1.836   7.895
  239   1HZ   LYS  29          1HZ       LYS  29  -3.954  -1.160   9.699
  240   2HZ   LYS  29          2HZ       LYS  29  -2.576  -0.814   8.781
  241   3HZ   LYS  29          3HZ       LYS  29  -3.004  -2.421   9.092
  242    H    ILE  30           H        ILE  30   1.278  -2.964   4.117
  243    HA   ILE  30           HA       ILE  30   1.468  -5.595   3.018
  244    HB   ILE  30           HB       ILE  30   3.120  -3.194   2.238
  245   1HG1  ILE  30          2HG1      ILE  30   0.593  -3.940   0.823
  246   2HG1  ILE  30          1HG1      ILE  30   0.482  -3.010   2.315
  247   1HG2  ILE  30          1HG2      ILE  30   2.602  -4.572  -0.034
  248   2HG2  ILE  30          2HG2      ILE  30   2.681  -5.884   1.143
  249   3HG2  ILE  30          3HG2      ILE  30   4.049  -4.785   0.952
  250   1HD1  ILE  30          1HD1      ILE  30   2.431  -1.710   0.833
  251   2HD1  ILE  30          2HD1      ILE  30   0.761  -1.197   1.079
  252   3HD1  ILE  30          3HD1      ILE  30   1.191  -2.152  -0.340
  253    H    GLN  31           H        GLN  31   3.580  -3.531   4.923
  254    HA   GLN  31           HA       GLN  31   5.972  -4.961   4.605
  255   1HB   GLN  31          2HB       GLN  31   5.852  -2.712   5.599
  256   2HB   GLN  31          1HB       GLN  31   5.029  -3.378   7.004
  257   1HG   GLN  31          2HG       GLN  31   7.734  -4.364   6.187
  258   2HG   GLN  31          1HG       GLN  31   7.544  -2.903   7.157
  259   1HE2  GLN  31          1HE2      GLN  31   8.712  -5.576   7.747
  260   2HE2  GLN  31          2HE2      GLN  31   7.912  -6.106   9.183
  261    H    ASP  32           H        ASP  32   3.385  -5.275   7.016
  262    HA   ASP  32           HA       ASP  32   4.654  -7.395   8.437
  263   1HB   ASP  32          2HB       ASP  32   2.508  -5.726   8.915
  264   2HB   ASP  32          1HB       ASP  32   1.737  -7.288   8.656
  265    H    LYS  33           H        LYS  33   3.182  -7.287   5.438
  266    HA   LYS  33           HA       LYS  33   2.377 -10.112   5.557
  267   1HB   LYS  33          2HB       LYS  33   1.520  -7.793   3.891
  268   2HB   LYS  33          1HB       LYS  33   1.452  -9.395   3.171
  269   1HG   LYS  33          2HG       LYS  33   0.263  -9.097   5.861
  270   2HG   LYS  33          1HG       LYS  33  -0.577  -8.314   4.519
  271   1HD   LYS  33          2HD       LYS  33  -0.198 -10.652   3.364
  272   2HD   LYS  33          1HD       LYS  33  -0.091 -11.208   5.035
  273   1HE   LYS  33          2HE       LYS  33  -2.301 -11.151   5.226
  274   2HE   LYS  33          1HE       LYS  33  -2.321  -9.446   4.780
  275   1HZ   LYS  33          1HZ       LYS  33  -3.427 -11.441   3.340
  276   2HZ   LYS  33          2HZ       LYS  33  -1.947 -11.227   2.550
  277   3HZ   LYS  33          3HZ       LYS  33  -3.007  -9.922   2.724
  278    H    GLU  34           H        GLU  34   4.260  -7.789   3.664
  279    HA   GLU  34           HA       GLU  34   5.508 -10.000   2.200
  280   1HB   GLU  34          2HB       GLU  34   5.355  -7.035   1.730
  281   2HB   GLU  34          1HB       GLU  34   6.553  -8.021   0.902
  282   1HG   GLU  34          2HG       GLU  34   3.567  -8.369   0.770
  283   2HG   GLU  34          1HG       GLU  34   4.596  -7.681  -0.485
  284    H    GLY  35           H        GLY  35   6.049  -7.997   4.856
  285   1HA   GLY  35          2HA       GLY  35   7.862  -7.712   6.235
  286   2HA   GLY  35          1HA       GLY  35   8.573  -9.103   5.429
  287    H    ILE  36           H        ILE  36   7.754  -5.783   4.418
  288    HA   ILE  36           HA       ILE  36  10.575  -5.389   3.693
  289    HB   ILE  36           HB       ILE  36   8.252  -4.582   1.940
  290   1HG1  ILE  36          2HG1      ILE  36  10.305  -6.775   1.572
  291   2HG1  ILE  36          1HG1      ILE  36   8.594  -7.012   1.915
  292   1HG2  ILE  36          1HG2      ILE  36  11.217  -4.201   1.751
  293   2HG2  ILE  36          2HG2      ILE  36   9.930  -3.009   1.573
  294   3HG2  ILE  36          3HG2      ILE  36  10.204  -4.209   0.309
  295   1HD1  ILE  36          1HD1      ILE  36   8.747  -5.380  -0.371
  296   2HD1  ILE  36          2HD1      ILE  36   8.199  -7.053  -0.253
  297   3HD1  ILE  36          3HD1      ILE  36   9.894  -6.701  -0.593
  298    HA   PRO  37           HA       PRO  37  10.062  -1.715   6.133
  299   1HB   PRO  37          2HB       PRO  37  12.332  -0.764   4.465
  300   2HB   PRO  37          1HB       PRO  37  12.180  -0.838   6.224
  301   1HG   PRO  37          2HG       PRO  37  13.706  -2.587   4.917
  302   2HG   PRO  37          1HG       PRO  37  12.725  -3.094   6.305
  303   1HD   PRO  37          2HD       PRO  37  12.229  -3.498   3.383
  304   2HD   PRO  37          1HD       PRO  37  11.937  -4.606   4.740
  305    HA   PRO  38           HA       PRO  38   7.472   0.777   3.519
  306   1HB   PRO  38          2HB       PRO  38   8.218   2.861   5.518
  307   2HB   PRO  38          1HB       PRO  38   6.620   2.375   4.942
  308   1HG   PRO  38          2HG       PRO  38   7.482   1.617   7.344
  309   2HG   PRO  38          1HG       PRO  38   6.546   0.509   6.323
  310   1HD   PRO  38          2HD       PRO  38   9.473   0.542   6.897
  311   2HD   PRO  38          1HD       PRO  38   8.385  -0.838   6.647
  312    H    ASP  39           H        ASP  39  10.617   1.877   4.668
  313    HA   ASP  39           HA       ASP  39  10.932   4.087   2.970
  314   1HB   ASP  39          2HB       ASP  39  13.282   3.969   3.492
  315   2HB   ASP  39          1HB       ASP  39  12.374   3.554   4.944
  316    H    GLN  40           H        GLN  40  10.887   0.760   2.280
  317    HA   GLN  40           HA       GLN  40  12.107   1.253  -0.358
  318   1HB   GLN  40          2HB       GLN  40  12.200  -1.135   1.450
  319   2HB   GLN  40          1HB       GLN  40  12.375  -1.345  -0.287
  320   1HG   GLN  40          2HG       GLN  40  14.297   0.131  -0.298
  321   2HG   GLN  40          1HG       GLN  40  14.103   0.423   1.431
  322   1HE2  GLN  40          1HE2      GLN  40  13.888  -1.795   2.658
  323   2HE2  GLN  40          2HE2      GLN  40  15.149  -2.922   2.301
  324    H    GLN  41           H        GLN  41   9.220   1.128   0.976
  325    HA   GLN  41           HA       GLN  41   7.993  -0.670  -0.984
  326   1HB   GLN  41          2HB       GLN  41   7.147   0.469   1.633
  327   2HB   GLN  41          1HB       GLN  41   5.893   0.115   0.453
  328   1HG   GLN  41          2HG       GLN  41   7.001  -2.203   0.295
  329   2HG   GLN  41          1HG       GLN  41   7.779  -1.761   1.814
  330   1HE2  GLN  41          1HE2      GLN  41   6.779  -2.611   3.479
  331   2HE2  GLN  41          2HE2      GLN  41   5.072  -2.801   3.662
  332    H    ARG  42           H        ARG  42   7.528   0.238  -2.873
  333    HA   ARG  42           HA       ARG  42   6.478   2.993  -2.888
  334   1HB   ARG  42          2HB       ARG  42   8.635   2.779  -4.045
  335   2HB   ARG  42          1HB       ARG  42   7.963   1.525  -5.078
  336   1HG   ARG  42          2HG       ARG  42   7.388   3.100  -6.518
  337   2HG   ARG  42          1HG       ARG  42   6.235   3.710  -5.328
  338   1HD   ARG  42          2HD       ARG  42   9.132   4.525  -5.518
  339   2HD   ARG  42          1HD       ARG  42   7.773   5.455  -6.149
  340    HE   ARG  42           HE       ARG  42   7.092   5.180  -3.578
  341   1HH1  ARG  42          2HH1      ARG  42  10.089   6.122  -5.080
  342   2HH1  ARG  42          1HH1      ARG  42  10.576   7.145  -3.770
  343   1HH2  ARG  42          1HH2      ARG  42   7.721   6.525  -1.847
  344   2HH2  ARG  42          2HH2      ARG  42   9.229   7.373  -1.930
  345    H    LEU  43           H        LEU  43   4.374   3.104  -3.293
  346    HA   LEU  43           HA       LEU  43   3.085   0.904  -4.742
  347   1HB   LEU  43          2HB       LEU  43   1.572   3.082  -3.365
  348   2HB   LEU  43          1HB       LEU  43   1.107   1.416  -3.646
  349    HG   LEU  43           HG       LEU  43   2.772   2.573  -1.466
  350   1HD1  LEU  43          1HD1      LEU  43   0.349   0.970  -1.790
  351   2HD1  LEU  43          2HD1      LEU  43   0.836   2.045  -0.478
  352   3HD1  LEU  43          3HD1      LEU  43   1.434   0.386  -0.528
  353   1HD2  LEU  43          1HD2      LEU  43   4.397   1.070  -1.828
  354   2HD2  LEU  43          2HD2      LEU  43   3.402   0.110  -2.923
  355   3HD2  LEU  43          3HD2      LEU  43   3.241  -0.093  -1.178
  356    H    ILE  44           H        ILE  44   2.216   1.164  -6.698
  357    HA   ILE  44           HA       ILE  44   1.955   3.904  -7.757
  358    HB   ILE  44           HB       ILE  44   2.706   1.475  -9.383
  359   1HG1  ILE  44          2HG1      ILE  44   4.537   1.963  -7.878
  360   2HG1  ILE  44          1HG1      ILE  44   4.970   2.515  -9.493
  361   1HG2  ILE  44          1HG2      ILE  44   3.493   3.633 -10.807
  362   2HG2  ILE  44          2HG2      ILE  44   2.069   4.280  -9.991
  363   3HG2  ILE  44          3HG2      ILE  44   1.931   2.838 -10.997
  364   1HD1  ILE  44          1HD1      ILE  44   3.769   4.710  -8.280
  365   2HD1  ILE  44          2HD1      ILE  44   5.487   4.464  -8.590
  366   3HD1  ILE  44          3HD1      ILE  44   4.796   3.992  -7.038
  367    H    PHE  45           H        PHE  45  -0.170   4.302  -7.838
  368    HA   PHE  45           HA       PHE  45  -1.901   2.263  -9.074
  369   1HB   PHE  45          2HB       PHE  45  -2.409   2.341  -6.706
  370   2HB   PHE  45          1HB       PHE  45  -2.563   4.094  -6.761
  371    HD1  PHE  45           HD1      PHE  45  -4.779   4.366  -6.041
  372    HD2  PHE  45           HD2      PHE  45  -3.896   1.688  -9.239
  373    HE1  PHE  45           HE1      PHE  45  -7.189   4.141  -6.512
  374    HE2  PHE  45           HE2      PHE  45  -6.305   1.459  -9.717
  375    HZ   PHE  45           HZ       PHE  45  -7.953   2.687  -8.353
  376    H    ALA  46           H        ALA  46  -3.129   2.926 -10.729
  377    HA   ALA  46           HA       ALA  46  -3.839   4.257 -12.443
  378   1HB   ALA  46          1HB       ALA  46  -5.376   4.835 -10.505
  379   2HB   ALA  46          2HB       ALA  46  -5.295   6.001 -11.824
  380   3HB   ALA  46          3HB       ALA  46  -4.421   6.306 -10.323
  381    H    GLY  47           H        GLY  47  -1.163   4.357 -12.373
  382   1HA   GLY  47          2HA       GLY  47   0.680   5.609 -12.938
  383   2HA   GLY  47          1HA       GLY  47  -0.479   6.645 -13.758
  384    H    LYS  48           H        LYS  48  -0.860   6.277 -10.365
  385    HA   LYS  48           HA       LYS  48   0.450   8.875  -9.914
  386   1HB   LYS  48          2HB       LYS  48  -2.182   7.896  -8.798
  387   2HB   LYS  48          1HB       LYS  48  -1.351   9.343  -8.241
  388   1HG   LYS  48          2HG       LYS  48  -1.447  10.076 -10.713
  389   2HG   LYS  48          1HG       LYS  48  -2.688   8.829 -10.865
  390   1HD   LYS  48          2HD       LYS  48  -3.354  10.254  -8.555
  391   2HD   LYS  48          1HD       LYS  48  -2.874  11.477  -9.734
  392   1HE   LYS  48          2HE       LYS  48  -4.657  11.087 -11.056
  393   2HE   LYS  48          1HE       LYS  48  -4.614   9.347 -10.775
  394   1HZ   LYS  48          1HZ       LYS  48  -6.420  11.101  -9.730
  395   2HZ   LYS  48          2HZ       LYS  48  -5.370  10.810  -8.437
  396   3HZ   LYS  48          3HZ       LYS  48  -6.151   9.516  -9.197
  397    H    GLN  49           H        GLN  49   2.009   8.785  -8.446
  398    HA   GLN  49           HA       GLN  49   2.488   6.432  -6.911
  399   1HB   GLN  49          2HB       GLN  49   3.982   8.655  -7.729
  400   2HB   GLN  49          1HB       GLN  49   3.958   8.741  -5.973
  401   1HG   GLN  49          2HG       GLN  49   5.549   7.215  -5.890
  402   2HG   GLN  49          1HG       GLN  49   4.469   6.055  -6.663
  403   1HE2  GLN  49          1HE2      GLN  49   7.424   7.356  -6.863
  404   2HE2  GLN  49          2HE2      GLN  49   7.712   7.225  -8.561
  405    H    LEU  50           H        LEU  50   2.018   5.974  -4.838
  406    HA   LEU  50           HA       LEU  50   0.143   7.676  -3.464
  407   1HB   LEU  50          2HB       LEU  50   1.231   4.937  -3.089
  408   2HB   LEU  50          1HB       LEU  50   0.603   5.753  -1.670
  409    HG   LEU  50           HG       LEU  50  -1.576   5.985  -2.705
  410   1HD1  LEU  50          1HD1      LEU  50  -0.077   5.246  -5.117
  411   2HD1  LEU  50          2HD1      LEU  50  -1.529   6.230  -4.935
  412   3HD1  LEU  50          3HD1      LEU  50  -1.652   4.472  -4.951
  413   1HD2  LEU  50          1HD2      LEU  50  -1.682   4.004  -1.622
  414   2HD2  LEU  50          2HD2      LEU  50  -0.277   3.344  -2.459
  415   3HD2  LEU  50          3HD2      LEU  50  -1.845   3.385  -3.265
  416    H    GLU  51           H        GLU  51   0.656   9.226  -2.082
  417    HA   GLU  51           HA       GLU  51   3.357   9.258  -0.934
  418   1HB   GLU  51          2HB       GLU  51   1.379  11.370  -1.656
  419   2HB   GLU  51          1HB       GLU  51   2.498  11.696  -0.340
  420   1HG   GLU  51          2HG       GLU  51   4.226  11.981  -1.720
  421   2HG   GLU  51          1HG       GLU  51   3.780  10.599  -2.720
  422    H    ASP  52           H        ASP  52   3.654   9.851   1.285
  423    HA   ASP  52           HA       ASP  52   1.801   8.558   3.028
  424   1HB   ASP  52          2HB       ASP  52   4.280  10.188   3.608
  425   2HB   ASP  52          1HB       ASP  52   3.369   9.295   4.823
  426    H    GLY  53           H        GLY  53   1.464  11.440   1.599
  427   1HA   GLY  53          2HA       GLY  53   0.345  12.748   3.989
  428   2HA   GLY  53          1HA       GLY  53   0.849  13.589   2.529
  429    H    ARG  54           H        ARG  54  -0.533  11.003   1.269
  430    HA   ARG  54           HA       ARG  54  -3.199  12.254   1.193
  431   1HB   ARG  54          2HB       ARG  54  -1.751  10.598  -0.877
  432   2HB   ARG  54          1HB       ARG  54  -3.434  11.085  -1.016
  433   1HG   ARG  54          2HG       ARG  54  -2.483  13.485  -0.683
  434   2HG   ARG  54          1HG       ARG  54  -0.964  12.744  -1.191
  435   1HD   ARG  54          2HD       ARG  54  -1.611  12.949  -3.303
  436   2HD   ARG  54          1HD       ARG  54  -2.930  11.827  -2.976
  437    HE   ARG  54           HE       ARG  54  -4.397  13.611  -2.850
  438   1HH1  ARG  54          2HH1      ARG  54  -1.113  14.745  -3.086
  439   2HH1  ARG  54          1HH1      ARG  54  -1.566  16.385  -3.414
  440   1HH2  ARG  54          1HH2      ARG  54  -5.005  15.767  -3.281
  441   2HH2  ARG  54          2HH2      ARG  54  -3.778  16.966  -3.524
  442    H    THR  55           H        THR  55  -4.934  10.576   0.497
  443    HA   THR  55           HA       THR  55  -4.526   8.085   2.018
  444    HB   THR  55           HB       THR  55  -6.753   8.196   2.908
  445    HG1  THR  55           HG1      THR  55  -7.001  10.381   1.133
  446   1HG2  THR  55          1HG2      THR  55  -6.553  10.714   3.887
  447   2HG2  THR  55          2HG2      THR  55  -4.906  10.455   3.313
  448   3HG2  THR  55          3HG2      THR  55  -5.615   9.345   4.486
  449    H    LEU  56           H        LEU  56  -5.937   6.312   1.394
  450    HA   LEU  56           HA       LEU  56  -5.922   5.708  -1.275
  451   1HB   LEU  56          2HB       LEU  56  -8.045   4.730   0.628
  452   2HB   LEU  56          1HB       LEU  56  -7.433   3.909  -0.795
  453    HG   LEU  56           HG       LEU  56  -6.153   4.230   1.891
  454   1HD1  LEU  56          1HD1      LEU  56  -6.158   1.836   0.090
  455   2HD1  LEU  56          2HD1      LEU  56  -7.548   2.224   1.102
  456   3HD1  LEU  56          3HD1      LEU  56  -5.978   1.908   1.843
  457   1HD2  LEU  56          1HD2      LEU  56  -4.529   5.061   0.225
  458   2HD2  LEU  56          2HD2      LEU  56  -4.669   3.529  -0.637
  459   3HD2  LEU  56          3HD2      LEU  56  -4.015   3.564   1.000
  460    H    SER  57           H        SER  57  -8.611   7.113   0.569
  461    HA   SER  57           HA       SER  57 -10.506   7.203  -1.464
  462   1HB   SER  57          2HB       SER  57 -11.489   9.124  -0.165
  463   2HB   SER  57          1HB       SER  57 -11.160   7.686   0.800
  464    HG   SER  57           HG       SER  57 -10.392  10.020   1.416
  465    H    ASP  58           H        ASP  58  -7.893   9.437  -0.685
  466    HA   ASP  58           HA       ASP  58  -8.601  11.518  -2.426
  467   1HB   ASP  58          2HB       ASP  58  -5.927  10.612  -1.357
  468   2HB   ASP  58          1HB       ASP  58  -6.112  12.048  -2.361
  469    H    TYR  59           H        TYR  59  -7.189   8.415  -3.018
  470    HA   TYR  59           HA       TYR  59  -6.476   9.165  -5.760
  471   1HB   TYR  59          2HB       TYR  59  -5.919   6.617  -4.226
  472   2HB   TYR  59          1HB       TYR  59  -5.358   6.968  -5.857
  473    HD1  TYR  59           HD1      TYR  59  -3.567   8.584  -6.240
  474    HD2  TYR  59           HD2      TYR  59  -4.897   7.669  -2.294
  475    HE1  TYR  59           HE1      TYR  59  -1.541   9.641  -5.318
  476    HE2  TYR  59           HE2      TYR  59  -2.875   8.724  -1.362
  477    HH   TYR  59           HH       TYR  59  -0.626  10.496  -3.381
  478    H    ASN  60           H        ASN  60  -9.174   8.250  -4.246
  479    HA   ASN  60           HA       ASN  60 -11.144   7.329  -4.908
  480   1HB   ASN  60          2HB       ASN  60  -9.762   7.921  -7.456
  481   2HB   ASN  60          1HB       ASN  60 -11.082   6.758  -7.554
  482   1HD2  ASN  60          1HD2      ASN  60 -10.415   9.862  -7.992
  483   2HD2  ASN  60          2HD2      ASN  60 -11.930  10.583  -7.581
  484    H    ILE  61           H        ILE  61  -9.464   5.593  -3.708
  485    HA   ILE  61           HA       ILE  61  -9.144   3.208  -5.314
  486    HB   ILE  61           HB       ILE  61  -8.637   3.751  -2.389
  487   1HG1  ILE  61          2HG1      ILE  61  -6.797   3.293  -4.749
  488   2HG1  ILE  61          1HG1      ILE  61  -7.053   4.818  -3.907
  489   1HG2  ILE  61          1HG2      ILE  61  -8.695   1.561  -2.035
  490   2HG2  ILE  61          2HG2      ILE  61  -7.331   1.395  -3.141
  491   3HG2  ILE  61          3HG2      ILE  61  -8.981   1.241  -3.746
  492   1HD1  ILE  61          1HD1      ILE  61  -6.261   2.808  -2.035
  493   2HD1  ILE  61          2HD1      ILE  61  -5.469   4.327  -2.452
  494   3HD1  ILE  61          3HD1      ILE  61  -5.121   2.868  -3.380
  495    H    GLN  62           H        GLN  62 -10.599   1.639  -5.539
  496    HA   GLN  62           HA       GLN  62 -12.986   1.692  -3.839
  497   1HB   GLN  62          2HB       GLN  62 -12.519   0.208  -6.432
  498   2HB   GLN  62          1HB       GLN  62 -14.047   0.347  -5.573
  499   1HG   GLN  62          2HG       GLN  62 -12.520   2.651  -6.763
  500   2HG   GLN  62          1HG       GLN  62 -13.893   1.842  -7.518
  501   1HE2  GLN  62          1HE2      GLN  62 -12.856   3.957  -4.965
  502   2HE2  GLN  62          2HE2      GLN  62 -14.424   4.537  -4.530
  503    H    LYS  63           H        LYS  63 -13.982  -0.658  -3.648
  504    HA   LYS  63           HA       LYS  63 -12.175  -2.121  -2.002
  505   1HB   LYS  63          2HB       LYS  63 -14.008  -3.378  -1.353
  506   2HB   LYS  63          1HB       LYS  63 -14.760  -1.861  -1.826
  507   1HG   LYS  63          2HG       LYS  63 -15.298  -2.836  -4.020
  508   2HG   LYS  63          1HG       LYS  63 -14.600  -4.367  -3.487
  509   1HD   LYS  63          2HD       LYS  63 -16.608  -3.231  -1.671
  510   2HD   LYS  63          1HD       LYS  63 -17.225  -3.701  -3.257
  511   1HE   LYS  63          2HE       LYS  63 -15.777  -5.870  -2.741
  512   2HE   LYS  63          1HE       LYS  63 -16.090  -5.371  -1.079
  513   1HZ   LYS  63          1HZ       LYS  63 -18.227  -5.715  -3.107
  514   2HZ   LYS  63          2HZ       LYS  63 -18.416  -5.504  -1.441
  515   3HZ   LYS  63          3HZ       LYS  63 -17.750  -6.939  -2.040
  516    H    GLU  64           H        GLU  64 -12.369  -2.012  -5.280
  517    HA   GLU  64           HA       GLU  64 -11.340  -4.756  -5.517
  518   1HB   GLU  64          2HB       GLU  64 -12.845  -3.473  -7.770
  519   2HB   GLU  64          1HB       GLU  64 -12.539  -5.178  -7.471
  520   1HG   GLU  64          2HG       GLU  64 -14.058  -4.964  -5.464
  521   2HG   GLU  64          1HG       GLU  64 -14.510  -3.381  -6.096
  522    H    SER  65           H        SER  65 -10.265  -1.861  -5.371
  523    HA   SER  65           HA       SER  65  -8.971  -1.487  -7.911
  524   1HB   SER  65          2HB       SER  65  -8.737  -0.116  -5.236
  525   2HB   SER  65          1HB       SER  65  -7.688   0.295  -6.593
  526    HG   SER  65           HG       SER  65 -10.449   0.218  -7.023
  527    H    THR  66           H        THR  66  -6.743  -1.649  -8.340
  528    HA   THR  66           HA       THR  66  -5.275  -3.425  -6.499
  529    HB   THR  66           HB       THR  66  -5.260  -3.402  -9.519
  530    HG1  THR  66           HG1      THR  66  -6.918  -4.651  -8.644
  531   1HG2  THR  66          1HG2      THR  66  -3.014  -3.774  -9.066
  532   2HG2  THR  66          2HG2      THR  66  -3.665  -5.413  -9.090
  533   3HG2  THR  66          3HG2      THR  66  -3.354  -4.611  -7.550
  534    H    ILE  67           H        ILE  67  -2.995  -3.166  -6.395
  535    HA   ILE  67           HA       ILE  67  -1.920  -0.692  -7.548
  536    HB   ILE  67           HB       ILE  67  -1.545  -1.440  -4.647
  537   1HG1  ILE  67          2HG1      ILE  67  -2.854   0.804  -4.387
  538   2HG1  ILE  67          1HG1      ILE  67  -3.435   0.453  -6.012
  539   1HG2  ILE  67          1HG2      ILE  67   0.360  -0.270  -5.409
  540   2HG2  ILE  67          2HG2      ILE  67  -0.630   0.914  -4.558
  541   3HG2  ILE  67          3HG2      ILE  67  -0.618   0.878  -6.322
  542   1HD1  ILE  67          1HD1      ILE  67  -4.906  -1.011  -5.248
  543   2HD1  ILE  67          2HD1      ILE  67  -4.512  -0.442  -3.626
  544   3HD1  ILE  67          3HD1      ILE  67  -3.682  -1.848  -4.293
  545    H    HIS  68           H        HIS  68   0.351  -0.647  -7.774
  546    HA   HIS  68           HA       HIS  68   1.573  -3.319  -7.735
  547   1HB   HIS  68          2HB       HIS  68   1.747  -1.002  -9.546
  548   2HB   HIS  68          1HB       HIS  68   3.287  -1.785  -9.201
  549    HD1  HIS  68           HD1      HIS  68   2.695  -4.684  -9.280
  550    HD2  HIS  68           HD2      HIS  68   0.878  -2.009 -11.888
  551    HE1  HIS  68           HE1      HIS  68   1.956  -6.063 -11.248
  552    HE2  HIS  68           HE2      HIS  68   0.944  -4.407 -12.855
  553    H    LEU  69           H        LEU  69   3.304  -3.749  -6.506
  554    HA   LEU  69           HA       LEU  69   4.371  -1.568  -4.860
  555   1HB   LEU  69          2HB       LEU  69   3.574  -3.310  -3.493
  556   2HB   LEU  69          1HB       LEU  69   4.269  -4.549  -4.520
  557    HG   LEU  69           HG       LEU  69   6.550  -3.528  -3.797
  558   1HD1  LEU  69          1HD1      LEU  69   6.288  -1.701  -2.525
  559   2HD1  LEU  69          2HD1      LEU  69   5.988  -2.857  -1.227
  560   3HD1  LEU  69          3HD1      LEU  69   4.633  -2.121  -2.082
  561   1HD2  LEU  69          1HD2      LEU  69   4.891  -5.070  -1.808
  562   2HD2  LEU  69          2HD2      LEU  69   6.651  -5.045  -1.926
  563   3HD2  LEU  69          3HD2      LEU  69   5.690  -5.772  -3.214
  564    H    VAL  70           H        VAL  70   6.506  -1.038  -4.840
  565    HA   VAL  70           HA       VAL  70   8.279  -2.546  -6.647
  566    HB   VAL  70           HB       VAL  70   8.773   0.359  -6.304
  567   1HG1  VAL  70          1HG1      VAL  70  10.284  -1.018  -7.615
  568   2HG1  VAL  70          2HG1      VAL  70   9.466   0.152  -8.651
  569   3HG1  VAL  70          3HG1      VAL  70   8.949  -1.534  -8.645
  570   1HG2  VAL  70          1HG2      VAL  70   6.684  -0.609  -8.244
  571   2HG2  VAL  70          2HG2      VAL  70   7.163   1.054  -7.906
  572   3HG2  VAL  70          3HG2      VAL  70   6.297   0.121  -6.686
  573    H    LEU  71           H        LEU  71  10.179  -3.147  -5.807
  574    HA   LEU  71           HA       LEU  71  10.745  -2.885  -3.080
  575   1HB   LEU  71          2HB       LEU  71  11.971  -4.094  -5.399
  576   2HB   LEU  71          1HB       LEU  71  13.189  -3.371  -4.363
  577    HG   LEU  71           HG       LEU  71  12.630  -5.824  -3.962
  578   1HD1  LEU  71          1HD1      LEU  71  12.241  -4.987  -1.337
  579   2HD1  LEU  71          2HD1      LEU  71  13.115  -3.666  -2.112
  580   3HD1  LEU  71          3HD1      LEU  71  13.781  -5.299  -2.137
  581   1HD2  LEU  71          1HD2      LEU  71  10.234  -4.670  -2.557
  582   2HD2  LEU  71          2HD2      LEU  71  10.680  -6.369  -2.719
  583   3HD2  LEU  71          3HD2      LEU  71  10.156  -5.454  -4.134
  584    H    ARG  72           H        ARG  72  11.636  -0.916  -5.821
  585    HA   ARG  72           HA       ARG  72  12.693   1.089  -6.003
  586   1HB   ARG  72          2HB       ARG  72  11.070   1.292  -3.804
  587   2HB   ARG  72          1HB       ARG  72  12.633   1.743  -3.139
  588   1HG   ARG  72          2HG       ARG  72  11.216   3.029  -5.460
  589   2HG   ARG  72          1HG       ARG  72  11.482   3.717  -3.857
  590   1HD   ARG  72          2HD       ARG  72  13.905   3.655  -4.249
  591   2HD   ARG  72          1HD       ARG  72  13.622   2.994  -5.858
  592    HE   ARG  72           HE       ARG  72  12.203   5.406  -5.579
  593   1HH1  ARG  72          2HH1      ARG  72  15.462   4.212  -5.860
  594   2HH1  ARG  72          1HH1      ARG  72  16.064   5.654  -6.609
  595   1HH2  ARG  72          1HH2      ARG  72  12.984   7.310  -6.564
  596   2HH2  ARG  72          2HH2      ARG  72  14.655   7.415  -7.010
  597    H    LEU  73           H        LEU  73  14.704   0.153  -6.504
  598    HA   LEU  73           HA       LEU  73  16.783   0.789  -4.619
  599   1HB   LEU  73          2HB       LEU  73  15.830  -1.694  -4.305
  600   2HB   LEU  73          1HB       LEU  73  16.970  -2.004  -5.599
  601    HG   LEU  73           HG       LEU  73  18.751  -0.951  -4.168
  602   1HD1  LEU  73          1HD1      LEU  73  18.059   0.229  -2.414
  603   2HD1  LEU  73          2HD1      LEU  73  17.721  -1.312  -1.626
  604   3HD1  LEU  73          3HD1      LEU  73  16.440  -0.465  -2.492
  605   1HD2  LEU  73          1HD2      LEU  73  17.777  -3.514  -4.211
  606   2HD2  LEU  73          2HD2      LEU  73  17.831  -3.146  -2.487
  607   3HD2  LEU  73          3HD2      LEU  73  19.290  -3.000  -3.465
  608    H    ARG  74           H        ARG  74  17.799   2.095  -6.044
  609    HA   ARG  74           HA       ARG  74  18.832   0.830  -8.491
  610   1HB   ARG  74          2HB       ARG  74  16.915   2.779  -8.529
  611   2HB   ARG  74          1HB       ARG  74  18.386   3.732  -8.659
  612   1HG   ARG  74          2HG       ARG  74  17.792   3.323 -10.865
  613   2HG   ARG  74          1HG       ARG  74  19.037   2.116 -10.539
  614   1HD   ARG  74          2HD       ARG  74  17.301   0.443 -10.120
  615   2HD   ARG  74          1HD       ARG  74  16.057   1.651 -10.438
  616    HE   ARG  74           HE       ARG  74  17.491   0.149 -12.368
  617   1HH1  ARG  74          2HH1      ARG  74  16.130   3.300 -11.785
  618   2HH1  ARG  74          1HH1      ARG  74  15.882   3.647 -13.465
  619   1HH2  ARG  74          1HH2      ARG  74  17.169   0.594 -14.582
  620   2HH2  ARG  74          2HH2      ARG  74  16.473   2.107 -15.054
  621    H    GLY  75           H        GLY  75  19.196   3.578  -6.257
  622   1HA   GLY  75          2HA       GLY  75  21.274   3.931  -5.094
  623   2HA   GLY  75          1HA       GLY  75  22.113   3.222  -6.464
  624    H    GLY  76           HN       GLY  76  23.503   5.005  -6.651
  625   1HA   GLY  76          2HA       GLY  76  24.116   6.902  -7.838
  626   2HA   GLY  76          1HA       GLY  76  22.428   7.144  -8.260
  Start of MODEL   14
    1   2H    MET   1          2H        MET   1 -12.130  -1.799   3.662
    2   3H    MET   1          3H        MET   1 -13.528  -2.656   4.076
    3   1H    MET   1          1H        MET   1 -13.653  -1.141   3.332
    4    HA   MET   1           HA       MET   1 -13.894  -3.409   2.016
    5   1HB   MET   1          2HB       MET   1 -13.145  -2.097  -0.022
    6   2HB   MET   1          1HB       MET   1 -14.375  -1.331   0.974
    7   1HG   MET   1          2HG       MET   1 -12.452  -0.095   2.100
    8   2HG   MET   1          1HG       MET   1 -11.464  -0.654   0.751
    9   1HE   MET   1          1HE       MET   1 -11.552   1.376  -1.736
   10   2HE   MET   1          2HE       MET   1 -10.699   0.998  -0.240
   11   3HE   MET   1          3HE       MET   1 -11.404   2.597  -0.473
   12    H    GLN   2           H        GLN   2 -12.604  -4.492   0.337
   13    HA   GLN   2           HA       GLN   2  -9.892  -4.999   1.329
   14   1HB   GLN   2          2HB       GLN   2 -11.845  -6.765   0.762
   15   2HB   GLN   2          1HB       GLN   2 -11.049  -6.700  -0.805
   16   1HG   GLN   2          2HG       GLN   2  -9.311  -7.891  -0.095
   17   2HG   GLN   2          1HG       GLN   2  -9.178  -6.970   1.403
   18   1HE2  GLN   2          1HE2      GLN   2  -8.630  -9.458   1.760
   19   2HE2  GLN   2          2HE2      GLN   2  -9.932 -10.353   2.457
   20    H    VAL   3           H        VAL   3  -8.176  -5.395  -0.270
   21    HA   VAL   3           HA       VAL   3  -8.559  -4.018  -2.827
   22    HB   VAL   3           HB       VAL   3  -6.424  -2.803  -2.546
   23   1HG1  VAL   3          1HG1      VAL   3  -8.136  -1.346  -2.169
   24   2HG1  VAL   3          2HG1      VAL   3  -7.368  -1.297  -0.582
   25   3HG1  VAL   3          3HG1      VAL   3  -8.798  -2.296  -0.838
   26   1HG2  VAL   3          1HG2      VAL   3  -6.554  -3.382   0.389
   27   2HG2  VAL   3          2HG2      VAL   3  -5.212  -2.752  -0.565
   28   3HG2  VAL   3          3HG2      VAL   3  -5.670  -4.449  -0.702
   29    H    PHE   4           H        PHE   4  -6.780  -4.405  -4.352
   30    HA   PHE   4           HA       PHE   4  -5.480  -7.001  -3.849
   31   1HB   PHE   4          2HB       PHE   4  -6.353  -5.860  -6.512
   32   2HB   PHE   4          1HB       PHE   4  -5.629  -7.442  -6.244
   33    HD1  PHE   4           HD1      PHE   4  -8.456  -6.364  -7.372
   34    HD2  PHE   4           HD2      PHE   4  -7.108  -8.309  -3.824
   35    HE1  PHE   4           HE1      PHE   4 -10.701  -7.332  -7.055
   36    HE2  PHE   4           HE2      PHE   4  -9.351  -9.282  -3.501
   37    HZ   PHE   4           HZ       PHE   4 -11.150  -8.793  -5.117
   38    H    LEU   5           H        LEU   5  -3.364  -6.808  -3.575
   39    HA   LEU   5           HA       LEU   5  -1.947  -4.685  -5.047
   40   1HB   LEU   5          2HB       LEU   5  -1.940  -4.403  -2.597
   41   2HB   LEU   5          1HB       LEU   5  -1.184  -5.977  -2.429
   42    HG   LEU   5           HG       LEU   5   0.678  -4.950  -3.947
   43   1HD1  LEU   5          1HD1      LEU   5   0.966  -2.575  -3.712
   44   2HD1  LEU   5          2HD1      LEU   5  -0.494  -2.456  -2.729
   45   3HD1  LEU   5          3HD1      LEU   5  -0.611  -2.895  -4.434
   46   1HD2  LEU   5          1HD2      LEU   5   1.202  -3.647  -1.513
   47   2HD2  LEU   5          2HD2      LEU   5   1.736  -5.250  -2.019
   48   3HD2  LEU   5          3HD2      LEU   5   0.230  -5.066  -1.120
   49    H    LYS   6           H        LYS   6  -0.223  -5.204  -6.281
   50    HA   LYS   6           HA       LYS   6   0.412  -8.062  -6.522
   51   1HB   LYS   6          2HB       LYS   6   1.168  -5.942  -8.518
   52   2HB   LYS   6          1HB       LYS   6   1.015  -7.676  -8.768
   53   1HG   LYS   6          2HG       LYS   6  -1.510  -6.960  -7.974
   54   2HG   LYS   6          1HG       LYS   6  -0.991  -5.575  -8.936
   55   1HD   LYS   6          2HD       LYS   6  -0.163  -7.792 -10.396
   56   2HD   LYS   6          1HD       LYS   6  -1.761  -8.230  -9.788
   57   1HE   LYS   6          2HE       LYS   6  -1.768  -5.516 -10.725
   58   2HE   LYS   6          1HE       LYS   6  -1.143  -6.586 -11.979
   59   1HZ   LYS   6          1HZ       LYS   6  -3.135  -7.982 -11.655
   60   2HZ   LYS   6          2HZ       LYS   6  -3.506  -6.422 -12.194
   61   3HZ   LYS   6          3HZ       LYS   6  -3.745  -6.833 -10.571
   62    H    THR   7           H        THR   7   2.620  -8.709  -6.817
   63    HA   THR   7           HA       THR   7   4.504  -6.878  -5.489
   64    HB   THR   7           HB       THR   7   5.302  -8.580  -4.269
   65    HG1  THR   7           HG1      THR   7   6.042 -10.465  -5.191
   66   1HG2  THR   7          1HG2      THR   7   3.033 -10.211  -5.407
   67   2HG2  THR   7          2HG2      THR   7   2.837  -8.979  -4.159
   68   3HG2  THR   7          3HG2      THR   7   3.813 -10.412  -3.838
   69    H    LEU   8           H        LEU   8   6.891  -7.954  -6.082
   70    HA   LEU   8           HA       LEU   8   7.244  -7.183  -8.832
   71   1HB   LEU   8          2HB       LEU   8   9.286  -8.254  -6.884
   72   2HB   LEU   8          1HB       LEU   8   9.619  -7.427  -8.393
   73    HG   LEU   8           HG       LEU   8   8.105  -6.076  -6.177
   74   1HD1  LEU   8          1HD1      LEU   8  10.137  -6.755  -5.133
   75   2HD1  LEU   8          2HD1      LEU   8  10.296  -5.049  -5.549
   76   3HD1  LEU   8          3HD1      LEU   8  11.088  -6.276  -6.539
   77   1HD2  LEU   8          1HD2      LEU   8   7.896  -4.681  -7.946
   78   2HD2  LEU   8          2HD2      LEU   8   9.331  -5.310  -8.755
   79   3HD2  LEU   8          3HD2      LEU   8   9.500  -4.165  -7.426
   80    H    THR   9           H        THR   9   6.430 -10.047  -7.352
   81    HA   THR   9           HA       THR   9   7.818 -11.717  -9.323
   82    HB   THR   9           HB       THR   9   6.629 -13.575  -7.883
   83    HG1  THR   9           HG1      THR   9   5.586 -12.735  -6.248
   84   1HG2  THR   9          1HG2      THR   9   8.651 -13.938  -6.908
   85   2HG2  THR   9          2HG2      THR   9   8.809 -12.269  -6.359
   86   3HG2  THR   9          3HG2      THR   9   9.150 -12.682  -8.040
   87    H    GLY  10           H        GLY  10   4.644 -10.622  -8.351
   88   1HA   GLY  10          2HA       GLY  10   2.950 -10.468 -10.093
   89   2HA   GLY  10          1HA       GLY  10   3.530 -12.009 -10.708
   90    H    LYS  11           H        LYS  11   2.940 -11.212  -7.326
   91    HA   LYS  11           HA       LYS  11   0.926 -13.350  -7.259
   92   1HB   LYS  11          2HB       LYS  11   3.144 -12.897  -5.657
   93   2HB   LYS  11          1HB       LYS  11   1.802 -12.330  -4.673
   94   1HG   LYS  11          2HG       LYS  11   1.146 -14.846  -5.888
   95   2HG   LYS  11          1HG       LYS  11   2.676 -14.960  -5.015
   96   1HD   LYS  11          2HD       LYS  11   0.871 -13.469  -3.415
   97   2HD   LYS  11          1HD       LYS  11   0.030 -14.917  -3.971
   98   1HE   LYS  11          2HE       LYS  11   2.761 -15.444  -3.104
   99   2HE   LYS  11          1HE       LYS  11   1.755 -14.762  -1.828
  100   1HZ   LYS  11          1HZ       LYS  11   0.417 -16.816  -3.306
  101   2HZ   LYS  11          2HZ       LYS  11   0.627 -16.654  -1.636
  102   3HZ   LYS  11          3HZ       LYS  11   1.835 -17.377  -2.573
  103    H    THR  12           H        THR  12  -1.015 -13.057  -6.054
  104    HA   THR  12           HA       THR  12  -1.914 -10.268  -6.044
  105    HB   THR  12           HB       THR  12  -3.600 -12.767  -5.822
  106    HG1  THR  12           HG1      THR  12  -4.039 -12.316  -8.069
  107   1HG2  THR  12          1HG2      THR  12  -4.456 -10.465  -5.020
  108   2HG2  THR  12          2HG2      THR  12  -5.469 -11.403  -6.117
  109   3HG2  THR  12          3HG2      THR  12  -4.511 -10.058  -6.734
  110    H    VAL  13           H        VAL  13  -1.653  -9.291  -4.144
  111    HA   VAL  13           HA       VAL  13  -2.083 -10.817  -1.673
  112    HB   VAL  13           HB       VAL  13  -1.058  -8.020  -1.619
  113   1HG1  VAL  13          1HG1      VAL  13  -1.195 -10.308   0.127
  114   2HG1  VAL  13          2HG1      VAL  13  -0.819  -8.628   0.506
  115   3HG1  VAL  13          3HG1      VAL  13   0.463  -9.722  -0.014
  116   1HG2  VAL  13          1HG2      VAL  13   0.126  -9.268  -3.485
  117   2HG2  VAL  13          2HG2      VAL  13   0.780 -10.318  -2.229
  118   3HG2  VAL  13          3HG2      VAL  13   1.148  -8.593  -2.216
  119    H    THR  14           H        THR  14  -3.936 -10.588  -0.621
  120    HA   THR  14           HA       THR  14  -5.657  -8.300  -1.255
  121    HB   THR  14           HB       THR  14  -6.983 -10.143   0.464
  122    HG1  THR  14           HG1      THR  14  -6.344 -11.589  -1.804
  123   1HG2  THR  14          1HG2      THR  14  -7.826  -8.608  -1.422
  124   2HG2  THR  14          2HG2      THR  14  -8.590 -10.187  -1.239
  125   3HG2  THR  14          3HG2      THR  14  -7.389  -9.930  -2.504
  126    H    ILE  15           H        ILE  15  -6.019  -6.720   0.164
  127    HA   ILE  15           HA       ILE  15  -5.491  -7.215   3.013
  128    HB   ILE  15           HB       ILE  15  -4.597  -4.711   1.584
  129   1HG1  ILE  15          2HG1      ILE  15  -3.053  -7.168   2.425
  130   2HG1  ILE  15          1HG1      ILE  15  -3.173  -6.471   0.812
  131   1HG2  ILE  15          1HG2      ILE  15  -3.400  -4.279   3.697
  132   2HG2  ILE  15          2HG2      ILE  15  -4.151  -5.716   4.390
  133   3HG2  ILE  15          3HG2      ILE  15  -5.150  -4.345   3.907
  134   1HD1  ILE  15          1HD1      ILE  15  -1.452  -5.726   3.074
  135   2HD1  ILE  15          2HD1      ILE  15  -2.112  -4.391   2.129
  136   3HD1  ILE  15          3HD1      ILE  15  -1.155  -5.643   1.337
  137    H    GLU  16           H        GLU  16  -6.714  -5.993   4.457
  138    HA   GLU  16           HA       GLU  16  -9.098  -4.767   3.275
  139   1HB   GLU  16          2HB       GLU  16  -9.927  -4.934   5.701
  140   2HB   GLU  16          1HB       GLU  16  -9.741  -6.431   4.797
  141   1HG   GLU  16          2HG       GLU  16  -7.349  -5.646   6.273
  142   2HG   GLU  16          1HG       GLU  16  -8.756  -5.948   7.294
  143    H    VAL  17           H        VAL  17  -9.288  -2.636   3.228
  144    HA   VAL  17           HA       VAL  17  -8.070  -1.024   5.349
  145    HB   VAL  17           HB       VAL  17  -7.449   0.656   3.480
  146   1HG1  VAL  17          1HG1      VAL  17  -5.568  -0.024   4.522
  147   2HG1  VAL  17          2HG1      VAL  17  -5.320  -0.940   3.034
  148   3HG1  VAL  17          3HG1      VAL  17  -6.016  -1.728   4.451
  149   1HG2  VAL  17          1HG2      VAL  17  -6.850  -0.344   1.344
  150   2HG2  VAL  17          2HG2      VAL  17  -8.572  -0.556   1.665
  151   3HG2  VAL  17          3HG2      VAL  17  -7.461  -1.906   1.887
  152    H    GLU  18           H        GLU  18  -8.862   1.255   5.298
  153    HA   GLU  18           HA       GLU  18 -11.654   1.338   4.361
  154   1HB   GLU  18          2HB       GLU  18 -10.326   2.442   6.817
  155   2HB   GLU  18          1HB       GLU  18 -11.812   3.161   6.210
  156   1HG   GLU  18          2HG       GLU  18 -11.470   0.270   6.974
  157   2HG   GLU  18          1HG       GLU  18 -12.203   1.515   7.986
  158    HA   PRO  19           HA       PRO  19 -10.876   4.700   1.641
  159   1HB   PRO  19          2HB       PRO  19 -13.194   6.032   2.957
  160   2HB   PRO  19          1HB       PRO  19 -12.897   5.725   1.242
  161   1HG   PRO  19          2HG       PRO  19 -14.647   4.248   2.605
  162   2HG   PRO  19          1HG       PRO  19 -13.590   3.515   1.384
  163   1HD   PRO  19          2HD       PRO  19 -13.409   3.409   4.360
  164   2HD   PRO  19          1HD       PRO  19 -13.004   2.166   3.158
  165    H    SER  20           H        SER  20 -11.495   5.411   5.041
  166    HA   SER  20           HA       SER  20 -10.170   7.989   4.852
  167   1HB   SER  20          2HB       SER  20 -10.823   8.317   7.147
  168   2HB   SER  20          1HB       SER  20 -12.202   7.635   6.284
  169    HG   SER  20           HG       SER  20 -12.143   6.283   7.914
  170    H    ASP  21           H        ASP  21  -8.747   5.358   4.452
  171    HA   ASP  21           HA       ASP  21  -6.876   5.366   6.693
  172   1HB   ASP  21          2HB       ASP  21  -7.343   3.519   4.371
  173   2HB   ASP  21          1HB       ASP  21  -5.837   3.447   5.280
  174    H    THR  22           H        THR  22  -4.589   5.546   6.361
  175    HA   THR  22           HA       THR  22  -3.943   7.402   4.186
  176    HB   THR  22           HB       THR  22  -2.014   8.068   5.477
  177    HG1  THR  22           HG1      THR  22  -2.112   6.951   7.758
  178   1HG2  THR  22          1HG2      THR  22  -4.371   8.894   6.070
  179   2HG2  THR  22          2HG2      THR  22  -3.089   9.166   7.251
  180   3HG2  THR  22          3HG2      THR  22  -4.239   7.849   7.485
  181    H    VAL  23           H        VAL  23  -2.049   7.151   2.936
  182    HA   VAL  23           HA       VAL  23  -1.566   4.614   1.931
  183    HB   VAL  23           HB       VAL  23   0.330   6.968   1.874
  184   1HG1  VAL  23          1HG1      VAL  23   1.669   5.301   1.087
  185   2HG1  VAL  23          2HG1      VAL  23   0.833   5.718  -0.409
  186   3HG1  VAL  23          3HG1      VAL  23   0.312   4.320   0.531
  187   1HG2  VAL  23          1HG2      VAL  23  -1.283   7.947   0.676
  188   2HG2  VAL  23          2HG2      VAL  23  -2.211   6.453   0.555
  189   3HG2  VAL  23          3HG2      VAL  23  -0.907   6.774  -0.586
  190    H    GLU  24           H        GLU  24  -0.021   6.314   4.579
  191    HA   GLU  24           HA       GLU  24   2.253   4.708   4.881
  192   1HB   GLU  24          2HB       GLU  24   1.124   6.869   6.226
  193   2HB   GLU  24          1HB       GLU  24   1.139   5.581   7.423
  194   1HG   GLU  24          2HG       GLU  24   3.569   5.241   6.854
  195   2HG   GLU  24          1HG       GLU  24   3.471   6.737   5.926
  196    H    ASN  25           H        ASN  25  -0.901   4.488   6.530
  197    HA   ASN  25           HA       ASN  25  -0.401   2.184   8.005
  198   1HB   ASN  25          2HB       ASN  25  -2.721   3.747   7.241
  199   2HB   ASN  25          1HB       ASN  25  -3.097   2.026   7.265
  200   1HD2  ASN  25          1HD2      ASN  25  -2.249   4.797   9.130
  201   2HD2  ASN  25          2HD2      ASN  25  -2.466   4.081  10.686
  202    H    PHE  26           H        PHE  26  -1.457   2.577   4.670
  203    HA   PHE  26           HA       PHE  26  -2.056  -0.132   4.153
  204   1HB   PHE  26          2HB       PHE  26  -2.744   1.782   2.706
  205   2HB   PHE  26          1HB       PHE  26  -1.071   1.939   2.181
  206    HD1  PHE  26           HD1      PHE  26  -2.790  -1.268   2.786
  207    HD2  PHE  26           HD2      PHE  26  -1.400   1.518  -0.128
  208    HE1  PHE  26           HE1      PHE  26  -3.196  -2.930   1.011
  209    HE2  PHE  26           HE2      PHE  26  -1.804  -0.138  -1.909
  210    HZ   PHE  26           HZ       PHE  26  -2.703  -2.365  -1.341
  211    H    LYS  27           H        LYS  27   0.916   1.753   3.848
  212    HA   LYS  27           HA       LYS  27   2.464  -0.271   2.623
  213   1HB   LYS  27          2HB       LYS  27   3.209   2.164   4.238
  214   2HB   LYS  27          1HB       LYS  27   4.412   1.094   3.533
  215   1HG   LYS  27          2HG       LYS  27   3.930   1.739   1.385
  216   2HG   LYS  27          1HG       LYS  27   2.283   2.231   1.787
  217   1HD   LYS  27          2HD       LYS  27   3.024   4.229   2.805
  218   2HD   LYS  27          1HD       LYS  27   4.701   3.682   2.831
  219   1HE   LYS  27          2HE       LYS  27   3.572   3.705   0.153
  220   2HE   LYS  27          1HE       LYS  27   3.531   5.294   0.916
  221   1HZ   LYS  27          1HZ       LYS  27   5.704   5.516   0.634
  222   2HZ   LYS  27          2HZ       LYS  27   5.688   4.109  -0.305
  223   3HZ   LYS  27          3HZ       LYS  27   6.031   4.017   1.349
  224    H    ALA  28           H        ALA  28   1.589   0.399   5.925
  225    HA   ALA  28           HA       ALA  28   3.586  -1.210   7.158
  226   1HB   ALA  28          1HB       ALA  28   1.302  -1.103   8.821
  227   2HB   ALA  28          2HB       ALA  28   1.432   0.454   8.004
  228   3HB   ALA  28          3HB       ALA  28   2.789  -0.164   8.946
  229    H    LYS  29           H        LYS  29   0.240  -1.783   6.154
  230    HA   LYS  29           HA       LYS  29   0.055  -4.411   7.189
  231   1HB   LYS  29          2HB       LYS  29  -1.494  -2.802   5.204
  232   2HB   LYS  29          1HB       LYS  29  -1.776  -4.535   5.291
  233   1HG   LYS  29          2HG       LYS  29  -2.255  -4.289   7.709
  234   2HG   LYS  29          1HG       LYS  29  -2.099  -2.541   7.522
  235   1HD   LYS  29          2HD       LYS  29  -3.854  -3.339   5.503
  236   2HD   LYS  29          1HD       LYS  29  -4.341  -4.257   6.931
  237   1HE   LYS  29          2HE       LYS  29  -3.751  -1.496   7.573
  238   2HE   LYS  29          1HE       LYS  29  -5.003  -1.627   6.338
  239   1HZ   LYS  29          1HZ       LYS  29  -6.465  -2.373   7.821
  240   2HZ   LYS  29          2HZ       LYS  29  -5.384  -1.864   9.017
  241   3HZ   LYS  29          3HZ       LYS  29  -5.373  -3.473   8.499
  242    H    ILE  30           H        ILE  30   1.098  -3.099   4.093
  243    HA   ILE  30           HA       ILE  30   1.323  -5.594   2.753
  244    HB   ILE  30           HB       ILE  30   2.713  -2.971   2.189
  245   1HG1  ILE  30          2HG1      ILE  30   0.402  -4.120   0.651
  246   2HG1  ILE  30          1HG1      ILE  30   0.119  -3.186   2.116
  247   1HG2  ILE  30          1HG2      ILE  30   2.680  -5.587   0.762
  248   2HG2  ILE  30          2HG2      ILE  30   4.006  -4.451   1.004
  249   3HG2  ILE  30          3HG2      ILE  30   2.745  -4.096  -0.177
  250   1HD1  ILE  30          1HD1      ILE  30   0.112  -2.048  -0.237
  251   2HD1  ILE  30          2HD1      ILE  30   1.860  -2.030   0.003
  252   3HD1  ILE  30          3HD1      ILE  30   0.801  -1.228   1.163
  253    H    GLN  31           H        GLN  31   3.464  -3.710   4.786
  254    HA   GLN  31           HA       GLN  31   5.859  -5.088   4.182
  255   1HB   GLN  31          2HB       GLN  31   6.027  -2.958   5.244
  256   2HB   GLN  31          1HB       GLN  31   5.000  -3.470   6.577
  257   1HG   GLN  31          2HG       GLN  31   6.882  -5.234   6.970
  258   2HG   GLN  31          1HG       GLN  31   7.861  -4.103   6.038
  259   1HE2  GLN  31          1HE2      GLN  31   5.889  -4.473   8.913
  260   2HE2  GLN  31          2HE2      GLN  31   6.608  -3.178   9.803
  261    H    ASP  32           H        ASP  32   3.330  -5.602   6.584
  262    HA   ASP  32           HA       ASP  32   4.675  -7.634   8.024
  263   1HB   ASP  32          2HB       ASP  32   1.691  -7.594   7.847
  264   2HB   ASP  32          1HB       ASP  32   2.725  -7.864   9.246
  265    H    LYS  33           H        LYS  33   2.431  -7.698   5.298
  266    HA   LYS  33           HA       LYS  33   2.320 -10.565   5.202
  267   1HB   LYS  33          2HB       LYS  33   1.193  -8.316   3.625
  268   2HB   LYS  33          1HB       LYS  33   1.335  -9.870   2.816
  269   1HG   LYS  33          2HG       LYS  33  -0.077 -10.922   4.410
  270   2HG   LYS  33          1HG       LYS  33  -0.047  -9.506   5.461
  271   1HD   LYS  33          2HD       LYS  33  -1.690  -8.505   4.321
  272   2HD   LYS  33          1HD       LYS  33  -0.945  -8.880   2.766
  273   1HE   LYS  33          2HE       LYS  33  -3.183  -9.902   3.059
  274   2HE   LYS  33          1HE       LYS  33  -1.905 -11.082   2.776
  275   1HZ   LYS  33          1HZ       LYS  33  -2.605 -10.414   5.544
  276   2HZ   LYS  33          2HZ       LYS  33  -2.035 -11.870   4.899
  277   3HZ   LYS  33          3HZ       LYS  33  -3.650 -11.420   4.671
  278    H    GLU  34           H        GLU  34   3.999  -8.040   3.369
  279    HA   GLU  34           HA       GLU  34   5.363 -10.103   1.799
  280   1HB   GLU  34          2HB       GLU  34   4.954  -7.158   1.454
  281   2HB   GLU  34          1HB       GLU  34   6.269  -7.965   0.610
  282   1HG   GLU  34          2HG       GLU  34   3.348  -8.663   0.406
  283   2HG   GLU  34          1HG       GLU  34   4.290  -7.772  -0.790
  284    H    GLY  35           H        GLY  35   5.877  -8.622   4.667
  285   1HA   GLY  35          2HA       GLY  35   7.742  -8.127   5.928
  286   2HA   GLY  35          1HA       GLY  35   8.462  -9.463   5.044
  287    H    ILE  36           H        ILE  36   7.446  -6.220   3.985
  288    HA   ILE  36           HA       ILE  36  10.244  -5.680   3.242
  289    HB   ILE  36           HB       ILE  36   8.035  -4.584   1.562
  290   1HG1  ILE  36          2HG1      ILE  36   9.211  -7.353   1.229
  291   2HG1  ILE  36          1HG1      ILE  36   7.557  -6.998   1.719
  292   1HG2  ILE  36          1HG2      ILE  36  10.572  -4.041   1.460
  293   2HG2  ILE  36          2HG2      ILE  36   9.675  -4.298  -0.038
  294   3HG2  ILE  36          3HG2      ILE  36  10.686  -5.587   0.618
  295   1HD1  ILE  36          1HD1      ILE  36   7.884  -7.630  -0.687
  296   2HD1  ILE  36          2HD1      ILE  36   8.713  -6.088  -0.896
  297   3HD1  ILE  36          3HD1      ILE  36   7.020  -6.119  -0.403
  298    HA   PRO  37           HA       PRO  37   9.538  -2.104   5.832
  299   1HB   PRO  37          2HB       PRO  37  11.972  -1.150   4.423
  300   2HB   PRO  37          1HB       PRO  37  11.656  -1.291   6.155
  301   1HG   PRO  37          2HG       PRO  37  13.271  -3.014   4.915
  302   2HG   PRO  37          1HG       PRO  37  12.173  -3.551   6.199
  303   1HD   PRO  37          2HD       PRO  37  11.916  -3.852   3.235
  304   2HD   PRO  37          1HD       PRO  37  11.499  -4.998   4.525
  305    HA   PRO  38           HA       PRO  38   7.261   0.417   2.944
  306   1HB   PRO  38          2HB       PRO  38   7.583   2.405   5.140
  307   2HB   PRO  38          1HB       PRO  38   6.120   1.886   4.296
  308   1HG   PRO  38          2HG       PRO  38   6.637   1.034   6.765
  309   2HG   PRO  38          1HG       PRO  38   5.922  -0.052   5.558
  310   1HD   PRO  38          2HD       PRO  38   8.726   0.069   6.577
  311   2HD   PRO  38          1HD       PRO  38   7.754  -1.340   6.110
  312    H    ASP  39           H        ASP  39  10.144   1.552   4.633
  313    HA   ASP  39           HA       ASP  39  10.642   3.897   3.245
  314   1HB   ASP  39          2HB       ASP  39  12.277   1.958   4.765
  315   2HB   ASP  39          1HB       ASP  39  13.163   2.994   3.649
  316    H    GLN  40           H        GLN  40  10.832   0.639   2.158
  317    HA   GLN  40           HA       GLN  40  12.142   1.539  -0.325
  318   1HB   GLN  40          2HB       GLN  40  12.074  -1.275   0.773
  319   2HB   GLN  40          1HB       GLN  40  12.963  -0.717  -0.638
  320   1HG   GLN  40          2HG       GLN  40  14.414   0.615   0.740
  321   2HG   GLN  40          1HG       GLN  40  13.466   0.225   2.176
  322   1HE2  GLN  40          1HE2      GLN  40  13.236  -2.203   2.545
  323   2HE2  GLN  40          2HE2      GLN  40  14.678  -3.136   2.366
  324    H    GLN  41           H        GLN  41   9.219   1.359   0.623
  325    HA   GLN  41           HA       GLN  41   8.171  -0.447  -1.433
  326   1HB   GLN  41          2HB       GLN  41   6.935   0.901   0.955
  327   2HB   GLN  41          1HB       GLN  41   5.941   0.191  -0.310
  328   1HG   GLN  41          2HG       GLN  41   7.306  -1.942   0.091
  329   2HG   GLN  41          1HG       GLN  41   7.810  -1.166   1.592
  330   1HE2  GLN  41          1HE2      GLN  41   6.731  -2.076   3.188
  331   2HE2  GLN  41          2HE2      GLN  41   5.032  -2.383   3.222
  332    H    ARG  42           H        ARG  42   6.996   0.243  -3.158
  333    HA   ARG  42           HA       ARG  42   6.380   3.095  -3.396
  334   1HB   ARG  42          2HB       ARG  42   8.587   2.722  -4.461
  335   2HB   ARG  42          1HB       ARG  42   7.853   1.526  -5.520
  336   1HG   ARG  42          2HG       ARG  42   6.240   3.613  -6.012
  337   2HG   ARG  42          1HG       ARG  42   7.729   4.468  -5.606
  338   1HD   ARG  42          2HD       ARG  42   8.340   2.270  -7.328
  339   2HD   ARG  42          1HD       ARG  42   7.043   3.226  -8.044
  340    HE   ARG  42           HE       ARG  42   8.800   5.121  -7.341
  341   1HH1  ARG  42          2HH1      ARG  42   9.198   2.107  -9.037
  342   2HH1  ARG  42          1HH1      ARG  42  10.536   2.666  -9.984
  343   1HH2  ARG  42          1HH2      ARG  42  10.559   5.871  -8.584
  344   2HH2  ARG  42          2HH2      ARG  42  11.310   4.808  -9.728
  345    H    LEU  43           H        LEU  43   4.226   3.020  -3.577
  346    HA   LEU  43           HA       LEU  43   3.005   0.952  -5.257
  347   1HB   LEU  43          2HB       LEU  43   1.642   2.908  -3.408
  348   2HB   LEU  43          1HB       LEU  43   0.918   1.508  -4.178
  349    HG   LEU  43           HG       LEU  43   2.976   1.516  -1.975
  350   1HD1  LEU  43          1HD1      LEU  43   0.810  -0.100  -1.330
  351   2HD1  LEU  43          2HD1      LEU  43   0.097   1.329  -2.079
  352   3HD1  LEU  43          3HD1      LEU  43   1.166   1.503  -0.687
  353   1HD2  LEU  43          1HD2      LEU  43   2.747  -0.968  -2.080
  354   2HD2  LEU  43          2HD2      LEU  43   3.588  -0.255  -3.457
  355   3HD2  LEU  43          3HD2      LEU  43   1.909  -0.771  -3.620
  356    H    ILE  44           H        ILE  44   2.562   1.452  -7.287
  357    HA   ILE  44           HA       ILE  44   2.019   4.266  -7.968
  358    HB   ILE  44           HB       ILE  44   3.108   2.026  -9.672
  359   1HG1  ILE  44          2HG1      ILE  44   4.241   4.493  -8.407
  360   2HG1  ILE  44          1HG1      ILE  44   4.916   2.868  -8.483
  361   1HG2  ILE  44          1HG2      ILE  44   3.125   3.532 -11.533
  362   2HG2  ILE  44          2HG2      ILE  44   2.518   4.852 -10.534
  363   3HG2  ILE  44          3HG2      ILE  44   1.484   3.470 -10.891
  364   1HD1  ILE  44          1HD1      ILE  44   6.238   4.280  -9.856
  365   2HD1  ILE  44          2HD1      ILE  44   4.813   4.908 -10.683
  366   3HD1  ILE  44          3HD1      ILE  44   5.300   3.230 -10.919
  367    H    PHE  45           H        PHE  45  -0.132   4.552  -7.985
  368    HA   PHE  45           HA       PHE  45  -1.784   2.537  -9.360
  369   1HB   PHE  45          2HB       PHE  45  -2.296   2.925  -6.940
  370   2HB   PHE  45          1HB       PHE  45  -2.705   4.590  -7.340
  371    HD1  PHE  45           HD1      PHE  45  -4.954   4.288  -6.442
  372    HD2  PHE  45           HD2      PHE  45  -3.517   1.930  -9.691
  373    HE1  PHE  45           HE1      PHE  45  -7.264   3.599  -6.957
  374    HE2  PHE  45           HE2      PHE  45  -5.825   1.237 -10.213
  375    HZ   PHE  45           HZ       PHE  45  -7.701   2.073  -8.846
  376    H    ALA  46           H        ALA  46  -2.663   3.098 -11.234
  377    HA   ALA  46           HA       ALA  46  -3.141   4.354 -13.085
  378   1HB   ALA  46          1HB       ALA  46  -4.660   5.347 -10.828
  379   2HB   ALA  46          2HB       ALA  46  -5.170   5.046 -12.488
  380   3HB   ALA  46          3HB       ALA  46  -4.424   6.586 -12.061
  381    H    GLY  47           H        GLY  47  -0.551   4.747 -12.538
  382   1HA   GLY  47          2HA       GLY  47   1.206   6.180 -12.898
  383   2HA   GLY  47          1HA       GLY  47   0.050   7.189 -13.753
  384    H    LYS  48           H        LYS  48  -0.354   6.395 -10.383
  385    HA   LYS  48           HA       LYS  48   0.487   9.123  -9.656
  386   1HB   LYS  48          2HB       LYS  48  -1.917   7.646  -8.569
  387   2HB   LYS  48          1HB       LYS  48  -1.381   9.248  -8.078
  388   1HG   LYS  48          2HG       LYS  48  -1.998  10.205 -10.124
  389   2HG   LYS  48          1HG       LYS  48  -2.123   8.633 -10.918
  390   1HD   LYS  48          2HD       LYS  48  -4.051   8.085  -9.497
  391   2HD   LYS  48          1HD       LYS  48  -3.933   9.674  -8.740
  392   1HE   LYS  48          2HE       LYS  48  -4.349  10.739 -10.895
  393   2HE   LYS  48          1HE       LYS  48  -4.437   9.158 -11.668
  394   1HZ   LYS  48          1HZ       LYS  48  -6.439   8.677 -10.640
  395   2HZ   LYS  48          2HZ       LYS  48  -6.605  10.320 -11.005
  396   3HZ   LYS  48          3HZ       LYS  48  -6.231   9.840  -9.428
  397    H    GLN  49           H        GLN  49   2.318   8.800  -8.544
  398    HA   GLN  49           HA       GLN  49   2.895   6.494  -7.018
  399   1HB   GLN  49          2HB       GLN  49   4.475   8.310  -8.036
  400   2HB   GLN  49          1HB       GLN  49   4.222   9.132  -6.503
  401   1HG   GLN  49          2HG       GLN  49   4.874   6.359  -6.084
  402   2HG   GLN  49          1HG       GLN  49   6.095   7.158  -7.074
  403   1HE2  GLN  49          1HE2      GLN  49   5.807   6.210  -4.153
  404   2HE2  GLN  49          2HE2      GLN  49   6.448   7.536  -3.249
  405    H    LEU  50           H        LEU  50   1.401   6.047  -5.448
  406    HA   LEU  50           HA       LEU  50   0.045   7.754  -3.792
  407   1HB   LEU  50          2HB       LEU  50   1.176   5.136  -2.828
  408   2HB   LEU  50          1HB       LEU  50  -0.305   5.921  -2.314
  409    HG   LEU  50           HG       LEU  50   0.223   4.543  -4.941
  410   1HD1  LEU  50          1HD1      LEU  50  -0.598   3.493  -2.591
  411   2HD1  LEU  50          2HD1      LEU  50  -1.052   2.858  -4.172
  412   3HD1  LEU  50          3HD1      LEU  50  -2.146   3.939  -3.309
  413   1HD2  LEU  50          1HD2      LEU  50  -1.383   5.701  -5.942
  414   2HD2  LEU  50          2HD2      LEU  50  -1.366   6.808  -4.569
  415   3HD2  LEU  50          3HD2      LEU  50  -2.485   5.445  -4.589
  416    H    GLU  51           H        GLU  51   0.567   9.121  -2.216
  417    HA   GLU  51           HA       GLU  51   3.297   9.020  -1.138
  418   1HB   GLU  51          2HB       GLU  51   1.318  11.306  -1.140
  419   2HB   GLU  51          1HB       GLU  51   2.969  11.377  -0.540
  420   1HG   GLU  51          2HG       GLU  51   3.016  10.406  -3.214
  421   2HG   GLU  51          1HG       GLU  51   2.027  11.865  -3.153
  422    H    ASP  52           H        ASP  52   3.640   9.421   1.120
  423    HA   ASP  52           HA       ASP  52   1.807   8.013   2.781
  424   1HB   ASP  52          2HB       ASP  52   4.323   9.570   3.373
  425   2HB   ASP  52          1HB       ASP  52   3.394   8.747   4.622
  426    H    GLY  53           H        GLY  53   1.557  11.053   1.596
  427   1HA   GLY  53          2HA       GLY  53   0.424  12.180   4.064
  428   2HA   GLY  53          1HA       GLY  53   0.870  13.100   2.634
  429    H    ARG  54           H        ARG  54  -0.473  10.741   1.112
  430    HA   ARG  54           HA       ARG  54  -3.149  11.941   1.190
  431   1HB   ARG  54          2HB       ARG  54  -1.436  11.062  -0.915
  432   2HB   ARG  54          1HB       ARG  54  -2.894  10.078  -0.949
  433   1HG   ARG  54          2HG       ARG  54  -4.086  11.736  -1.812
  434   2HG   ARG  54          1HG       ARG  54  -3.528  12.870  -0.581
  435   1HD   ARG  54          2HD       ARG  54  -1.474  13.241  -1.854
  436   2HD   ARG  54          1HD       ARG  54  -2.029  12.105  -3.084
  437    HE   ARG  54           HE       ARG  54  -4.026  13.944  -2.949
  438   1HH1  ARG  54          2HH1      ARG  54  -0.583  14.133  -3.429
  439   2HH1  ARG  54          1HH1      ARG  54  -0.666  15.556  -4.413
  440   1HH2  ARG  54          1HH2      ARG  54  -4.150  15.818  -4.244
  441   2HH2  ARG  54          2HH2      ARG  54  -2.694  16.515  -4.875
  442    H    THR  55           H        THR  55  -4.949  10.324   0.571
  443    HA   THR  55           HA       THR  55  -4.578   7.845   2.124
  444    HB   THR  55           HB       THR  55  -7.034   8.043   2.696
  445    HG1  THR  55           HG1      THR  55  -7.822   9.583   1.358
  446   1HG2  THR  55          1HG2      THR  55  -4.770   9.230   3.887
  447   2HG2  THR  55          2HG2      THR  55  -6.279   8.756   4.667
  448   3HG2  THR  55          3HG2      THR  55  -6.089  10.392   4.037
  449    H    LEU  56           H        LEU  56  -6.551   6.316   1.644
  450    HA   LEU  56           HA       LEU  56  -6.325   5.510  -1.043
  451   1HB   LEU  56          2HB       LEU  56  -8.502   4.743   0.898
  452   2HB   LEU  56          1HB       LEU  56  -7.997   3.846  -0.522
  453    HG   LEU  56           HG       LEU  56  -6.472   4.225   2.047
  454   1HD1  LEU  56          1HD1      LEU  56  -8.187   2.190   0.983
  455   2HD1  LEU  56          2HD1      LEU  56  -7.418   2.290   2.567
  456   3HD1  LEU  56          3HD1      LEU  56  -6.560   1.551   1.215
  457   1HD2  LEU  56          1HD2      LEU  56  -4.838   4.470   0.343
  458   2HD2  LEU  56          2HD2      LEU  56  -5.531   3.151  -0.601
  459   3HD2  LEU  56          3HD2      LEU  56  -4.723   2.811   0.929
  460    H    SER  57           H        SER  57  -9.043   7.015   0.695
  461    HA   SER  57           HA       SER  57 -10.795   7.196  -1.473
  462   1HB   SER  57          2HB       SER  57 -12.120   8.564  -0.127
  463   2HB   SER  57          1HB       SER  57 -11.181   7.667   1.067
  464    HG   SER  57           HG       SER  57 -10.613   9.565   1.751
  465    H    ASP  58           H        ASP  58  -8.081   9.178  -0.543
  466    HA   ASP  58           HA       ASP  58  -8.667  11.452  -2.103
  467   1HB   ASP  58          2HB       ASP  58  -6.087  10.312  -1.038
  468   2HB   ASP  58          1HB       ASP  58  -6.132  11.798  -1.981
  469    H    TYR  59           H        TYR  59  -7.270   8.352  -2.867
  470    HA   TYR  59           HA       TYR  59  -6.606   9.254  -5.576
  471   1HB   TYR  59          2HB       TYR  59  -5.893   6.766  -4.025
  472   2HB   TYR  59          1HB       TYR  59  -5.569   6.937  -5.746
  473    HD1  TYR  59           HD1      TYR  59  -4.228   9.107  -6.417
  474    HD2  TYR  59           HD2      TYR  59  -4.256   7.396  -2.512
  475    HE1  TYR  59           HE1      TYR  59  -2.104  10.248  -5.908
  476    HE2  TYR  59           HE2      TYR  59  -2.133   8.534  -1.992
  477    HH   TYR  59           HH       TYR  59  -0.808  10.974  -4.022
  478    H    ASN  60           H        ASN  60  -9.296   8.344  -4.157
  479    HA   ASN  60           HA       ASN  60 -11.244   7.367  -4.803
  480   1HB   ASN  60          2HB       ASN  60 -10.006   7.509  -7.560
  481   2HB   ASN  60          1HB       ASN  60 -11.715   7.272  -7.207
  482   1HD2  ASN  60          1HD2      ASN  60 -12.959   8.992  -6.592
  483   2HD2  ASN  60          2HD2      ASN  60 -12.408  10.628  -6.652
  484    H    ILE  61           H        ILE  61  -9.635   5.576  -3.685
  485    HA   ILE  61           HA       ILE  61  -9.258   3.292  -5.436
  486    HB   ILE  61           HB       ILE  61  -8.793   3.578  -2.466
  487   1HG1  ILE  61          2HG1      ILE  61  -6.957   3.729  -4.859
  488   2HG1  ILE  61          1HG1      ILE  61  -7.256   4.977  -3.652
  489   1HG2  ILE  61          1HG2      ILE  61  -9.046   1.249  -4.005
  490   2HG2  ILE  61          2HG2      ILE  61  -8.439   1.391  -2.356
  491   3HG2  ILE  61          3HG2      ILE  61  -7.319   1.461  -3.716
  492   1HD1  ILE  61          1HD1      ILE  61  -5.252   2.981  -3.676
  493   2HD1  ILE  61          2HD1      ILE  61  -6.312   2.677  -2.301
  494   3HD1  ILE  61          3HD1      ILE  61  -5.535   4.249  -2.482
  495    H    GLN  62           H        GLN  62 -10.553   1.549  -5.580
  496    HA   GLN  62           HA       GLN  62 -13.036   1.586  -4.023
  497   1HB   GLN  62          2HB       GLN  62 -12.345  -0.021  -6.490
  498   2HB   GLN  62          1HB       GLN  62 -13.926   0.080  -5.728
  499   1HG   GLN  62          2HG       GLN  62 -12.438   2.246  -7.181
  500   2HG   GLN  62          1HG       GLN  62 -13.967   1.490  -7.627
  501   1HE2  GLN  62          1HE2      GLN  62 -12.742   4.247  -6.550
  502   2HE2  GLN  62          2HE2      GLN  62 -14.041   4.825  -5.568
  503    H    LYS  63           H        LYS  63 -13.939  -0.769  -3.683
  504    HA   LYS  63           HA       LYS  63 -12.106  -2.060  -1.913
  505   1HB   LYS  63          2HB       LYS  63 -14.681  -3.315  -2.780
  506   2HB   LYS  63          1HB       LYS  63 -13.913  -3.332  -1.200
  507   1HG   LYS  63          2HG       LYS  63 -15.510  -1.846  -0.691
  508   2HG   LYS  63          1HG       LYS  63 -14.416  -0.696  -1.463
  509   1HD   LYS  63          2HD       LYS  63 -15.963  -0.240  -2.990
  510   2HD   LYS  63          1HD       LYS  63 -15.974  -1.932  -3.492
  511   1HE   LYS  63          2HE       LYS  63 -17.412  -1.635  -1.029
  512   2HE   LYS  63          1HE       LYS  63 -18.028  -0.491  -2.221
  513   1HZ   LYS  63          1HZ       LYS  63 -18.479  -2.248  -3.726
  514   2HZ   LYS  63          2HZ       LYS  63 -19.122  -2.713  -2.233
  515   3HZ   LYS  63          3HZ       LYS  63 -17.664  -3.382  -2.771
  516    H    GLU  64           H        GLU  64 -12.277  -2.165  -5.184
  517    HA   GLU  64           HA       GLU  64 -11.155  -4.878  -5.239
  518   1HB   GLU  64          2HB       GLU  64 -12.837  -3.812  -7.493
  519   2HB   GLU  64          1HB       GLU  64 -12.342  -5.470  -7.186
  520   1HG   GLU  64          2HG       GLU  64 -13.928  -5.780  -5.538
  521   2HG   GLU  64          1HG       GLU  64 -14.100  -4.052  -5.234
  522    H    SER  65           H        SER  65 -10.365  -1.824  -5.475
  523    HA   SER  65           HA       SER  65  -9.167  -1.515  -8.009
  524   1HB   SER  65          2HB       SER  65  -8.596  -0.218  -5.339
  525   2HB   SER  65          1HB       SER  65  -7.777   0.249  -6.829
  526    HG   SER  65           HG       SER  65  -9.443   1.465  -7.176
  527    H    THR  66           H        THR  66  -6.919  -1.584  -8.573
  528    HA   THR  66           HA       THR  66  -5.372  -3.507  -6.960
  529    HB   THR  66           HB       THR  66  -5.187  -3.220  -9.960
  530    HG1  THR  66           HG1      THR  66  -7.018  -4.551  -8.407
  531   1HG2  THR  66          1HG2      THR  66  -4.434  -5.753  -8.752
  532   2HG2  THR  66          2HG2      THR  66  -3.481  -4.407  -8.128
  533   3HG2  THR  66          3HG2      THR  66  -3.533  -4.721  -9.863
  534    H    ILE  67           H        ILE  67  -3.166  -3.169  -6.745
  535    HA   ILE  67           HA       ILE  67  -2.049  -0.720  -7.915
  536    HB   ILE  67           HB       ILE  67  -1.624  -1.412  -5.014
  537   1HG1  ILE  67          2HG1      ILE  67  -3.142   0.887  -5.041
  538   2HG1  ILE  67          1HG1      ILE  67  -3.893  -0.080  -6.307
  539   1HG2  ILE  67          1HG2      ILE  67   0.108  -0.055  -6.040
  540   2HG2  ILE  67          2HG2      ILE  67  -0.821   0.904  -4.887
  541   3HG2  ILE  67          3HG2      ILE  67  -1.105   1.088  -6.618
  542   1HD1  ILE  67          1HD1      ILE  67  -5.007  -0.482  -4.226
  543   2HD1  ILE  67          2HD1      ILE  67  -3.480  -0.879  -3.439
  544   3HD1  ILE  67          3HD1      ILE  67  -4.124  -1.934  -4.696
  545    H    HIS  68           H        HIS  68   0.209  -0.708  -8.143
  546    HA   HIS  68           HA       HIS  68   1.424  -3.379  -8.007
  547   1HB   HIS  68          2HB       HIS  68   2.190  -0.951  -9.638
  548   2HB   HIS  68          1HB       HIS  68   3.063  -2.480  -9.646
  549    HD1  HIS  68           HD1      HIS  68   2.413  -4.003 -11.474
  550    HD2  HIS  68           HD2      HIS  68  -0.668  -1.403 -10.470
  551    HE1  HIS  68           HE1      HIS  68   0.558  -4.500 -13.098
  552    HE2  HIS  68           HE2      HIS  68  -1.267  -2.862 -12.521
  553    H    LEU  69           H        LEU  69   3.073  -3.789  -6.672
  554    HA   LEU  69           HA       LEU  69   4.163  -1.554  -5.119
  555   1HB   LEU  69          2HB       LEU  69   3.269  -3.201  -3.692
  556   2HB   LEU  69          1HB       LEU  69   3.976  -4.509  -4.621
  557    HG   LEU  69           HG       LEU  69   6.246  -3.407  -3.861
  558   1HD1  LEU  69          1HD1      LEU  69   4.207  -2.132  -2.154
  559   2HD1  LEU  69          2HD1      LEU  69   5.811  -1.569  -2.626
  560   3HD1  LEU  69          3HD1      LEU  69   5.638  -2.754  -1.331
  561   1HD2  LEU  69          1HD2      LEU  69   6.436  -5.249  -2.613
  562   2HD2  LEU  69          2HD2      LEU  69   4.778  -5.601  -3.100
  563   3HD2  LEU  69          3HD2      LEU  69   5.094  -4.785  -1.569
  564    H    VAL  70           H        VAL  70   6.239  -0.958  -5.251
  565    HA   VAL  70           HA       VAL  70   8.124  -2.729  -6.655
  566    HB   VAL  70           HB       VAL  70   8.452   0.189  -7.072
  567   1HG1  VAL  70          1HG1      VAL  70   9.440  -2.256  -8.151
  568   2HG1  VAL  70          2HG1      VAL  70   9.952  -0.605  -8.500
  569   3HG1  VAL  70          3HG1      VAL  70   8.655  -1.343  -9.441
  570   1HG2  VAL  70          1HG2      VAL  70   6.227  -1.419  -8.286
  571   2HG2  VAL  70          2HG2      VAL  70   6.922  -0.024  -9.110
  572   3HG2  VAL  70          3HG2      VAL  70   6.156   0.175  -7.534
  573    H    LEU  71           H        LEU  71  10.269  -2.608  -6.000
  574    HA   LEU  71           HA       LEU  71  10.727  -1.919  -3.304
  575   1HB   LEU  71          2HB       LEU  71  12.153  -3.208  -5.431
  576   2HB   LEU  71          1HB       LEU  71  13.213  -2.053  -4.647
  577    HG   LEU  71           HG       LEU  71  13.176  -4.486  -3.789
  578   1HD1  LEU  71          1HD1      LEU  71  13.854  -3.780  -1.669
  579   2HD1  LEU  71          2HD1      LEU  71  12.747  -2.408  -1.669
  580   3HD1  LEU  71          3HD1      LEU  71  14.174  -2.391  -2.707
  581   1HD2  LEU  71          1HD2      LEU  71  10.533  -4.172  -3.629
  582   2HD2  LEU  71          2HD2      LEU  71  10.973  -3.641  -2.005
  583   3HD2  LEU  71          3HD2      LEU  71  11.433  -5.250  -2.561
  584    H    ARG  72           H        ARG  72  11.408  -0.273  -6.337
  585    HA   ARG  72           HA       ARG  72  12.127   1.829  -6.825
  586   1HB   ARG  72          2HB       ARG  72  10.193   2.669  -5.802
  587   2HB   ARG  72          1HB       ARG  72  10.741   2.224  -4.191
  588   1HG   ARG  72          2HG       ARG  72  12.431   3.976  -4.268
  589   2HG   ARG  72          1HG       ARG  72  11.909   4.415  -5.897
  590   1HD   ARG  72          2HD       ARG  72   9.890   5.284  -5.151
  591   2HD   ARG  72          1HD       ARG  72   9.946   4.378  -3.639
  592    HE   ARG  72           HE       ARG  72  10.986   6.973  -4.093
  593   1HH1  ARG  72          2HH1      ARG  72  11.650   4.003  -2.400
  594   2HH1  ARG  72          1HH1      ARG  72  12.563   4.770  -1.145
  595   1HH2  ARG  72          1HH2      ARG  72  12.190   7.995  -2.446
  596   2HH2  ARG  72          2HH2      ARG  72  12.870   7.041  -1.170
  597    H    LEU  73           H        LEU  73  13.780   3.397  -6.435
  598    HA   LEU  73           HA       LEU  73  15.905   3.972  -5.856
  599   1HB   LEU  73          2HB       LEU  73  14.637   4.556  -3.771
  600   2HB   LEU  73          1HB       LEU  73  15.108   3.001  -3.114
  601    HG   LEU  73           HG       LEU  73  16.463   5.134  -2.489
  602   1HD1  LEU  73          1HD1      LEU  73  17.136   2.371  -2.787
  603   2HD1  LEU  73          2HD1      LEU  73  17.694   3.530  -1.581
  604   3HD1  LEU  73          3HD1      LEU  73  18.558   3.364  -3.109
  605   1HD2  LEU  73          1HD2      LEU  73  18.073   4.441  -4.898
  606   2HD2  LEU  73          2HD2      LEU  73  18.038   5.930  -3.952
  607   3HD2  LEU  73          3HD2      LEU  73  16.719   5.559  -5.062
  608    H    ARG  74           H        ARG  74  17.571   2.849  -6.588
  609    HA   ARG  74           HA       ARG  74  18.562   0.568  -5.144
  610   1HB   ARG  74          2HB       ARG  74  18.595  -0.551  -7.653
  611   2HB   ARG  74          1HB       ARG  74  17.486  -0.981  -6.359
  612   1HG   ARG  74          2HG       ARG  74  15.999  -0.616  -8.036
  613   2HG   ARG  74          1HG       ARG  74  16.080   1.012  -7.367
  614   1HD   ARG  74          2HD       ARG  74  16.943   1.836  -9.250
  615   2HD   ARG  74          1HD       ARG  74  18.152   0.556  -9.336
  616    HE   ARG  74           HE       ARG  74  15.962  -0.723 -10.172
  617   1HH1  ARG  74          2HH1      ARG  74  17.291   2.373 -11.051
  618   2HH1  ARG  74          1HH1      ARG  74  16.675   2.323 -12.669
  619   1HH2  ARG  74          1HH2      ARG  74  15.148  -0.799 -12.302
  620   2HH2  ARG  74          2HH2      ARG  74  15.458   0.520 -13.380
  621    H    GLY  75           H        GLY  75  18.765   2.637  -7.998
  622   1HA   GLY  75          2HA       GLY  75  20.719   3.903  -8.488
  623   2HA   GLY  75          1HA       GLY  75  21.678   2.700  -7.638
  624    H    GLY  76           HN       GLY  76  21.974   3.851 -10.347
  625   1HA   GLY  76          2HA       GLY  76  22.532   3.148 -12.458
  626   2HA   GLY  76          1HA       GLY  76  22.853   1.591 -11.710
  Start of MODEL   15
    1   2H    MET   1          2H        MET   1 -12.433  -2.999   3.358
    2   3H    MET   1          3H        MET   1 -13.766  -3.812   2.708
    3   1H    MET   1          1H        MET   1 -13.805  -2.129   2.885
    4    HA   MET   1           HA       MET   1 -13.390  -3.053   0.576
    5   1HB   MET   1          2HB       MET   1 -13.002  -0.683   1.388
    6   2HB   MET   1          1HB       MET   1 -11.321  -1.131   1.642
    7   1HG   MET   1          2HG       MET   1 -11.917  -1.936  -0.958
    8   2HG   MET   1          1HG       MET   1 -12.659  -0.349  -0.771
    9   1HE   MET   1          1HE       MET   1  -9.871   1.858  -1.652
   10   2HE   MET   1          2HE       MET   1 -11.308   1.908  -0.632
   11   3HE   MET   1          3HE       MET   1 -11.377   1.135  -2.215
   12    H    GLN   2           H        GLN   2 -12.506  -4.900  -0.094
   13    HA   GLN   2           HA       GLN   2  -9.826  -5.631   0.833
   14   1HB   GLN   2          2HB       GLN   2 -12.111  -7.129   0.485
   15   2HB   GLN   2          1HB       GLN   2 -11.182  -7.506  -0.960
   16   1HG   GLN   2          2HG       GLN   2  -9.906  -8.894   0.187
   17   2HG   GLN   2          1HG       GLN   2  -9.439  -7.595   1.284
   18   1HE2  GLN   2          1HE2      GLN   2 -10.070 -10.497   1.674
   19   2HE2  GLN   2          2HE2      GLN   2 -11.248 -10.520   2.939
   20    H    VAL   3           H        VAL   3  -8.247  -4.795  -0.346
   21    HA   VAL   3           HA       VAL   3  -8.568  -4.581  -3.257
   22    HB   VAL   3           HB       VAL   3  -6.624  -3.090  -3.208
   23   1HG1  VAL   3          1HG1      VAL   3  -8.656  -1.939  -3.047
   24   2HG1  VAL   3          2HG1      VAL   3  -7.671  -1.274  -1.743
   25   3HG1  VAL   3          3HG1      VAL   3  -8.923  -2.464  -1.384
   26   1HG2  VAL   3          1HG2      VAL   3  -6.559  -2.738  -0.315
   27   2HG2  VAL   3          2HG2      VAL   3  -5.234  -2.880  -1.470
   28   3HG2  VAL   3          3HG2      VAL   3  -6.011  -4.331  -0.835
   29    H    PHE   4           H        PHE   4  -6.367  -4.855  -4.449
   30    HA   PHE   4           HA       PHE   4  -4.985  -7.229  -3.389
   31   1HB   PHE   4          2HB       PHE   4  -5.602  -6.826  -6.314
   32   2HB   PHE   4          1HB       PHE   4  -5.004  -8.282  -5.523
   33    HD1  PHE   4           HD1      PHE   4  -6.482  -9.835  -4.518
   34    HD2  PHE   4           HD2      PHE   4  -7.947  -6.097  -5.956
   35    HE1  PHE   4           HE1      PHE   4  -8.796 -10.645  -4.257
   36    HE2  PHE   4           HE2      PHE   4 -10.264  -6.900  -5.697
   37    HZ   PHE   4           HZ       PHE   4 -10.689  -9.177  -4.845
   38    H    LEU   5           H        LEU   5  -2.820  -7.200  -3.491
   39    HA   LEU   5           HA       LEU   5  -1.559  -4.959  -4.930
   40   1HB   LEU   5          2HB       LEU   5  -1.480  -5.250  -2.298
   41   2HB   LEU   5          1HB       LEU   5  -0.175  -6.354  -2.689
   42    HG   LEU   5           HG       LEU   5   0.533  -4.168  -4.155
   43   1HD1  LEU   5          1HD1      LEU   5   0.339  -2.372  -2.231
   44   2HD1  LEU   5          2HD1      LEU   5  -1.130  -3.274  -1.862
   45   3HD1  LEU   5          3HD1      LEU   5  -0.917  -2.551  -3.457
   46   1HD2  LEU   5          1HD2      LEU   5   1.882  -3.688  -1.890
   47   2HD2  LEU   5          2HD2      LEU   5   2.260  -5.026  -2.975
   48   3HD2  LEU   5          3HD2      LEU   5   1.282  -5.308  -1.535
   49    H    LYS   6           H        LYS   6   0.020  -5.386  -6.372
   50    HA   LYS   6           HA       LYS   6   0.706  -8.211  -6.789
   51   1HB   LYS   6          2HB       LYS   6   0.933  -5.878  -8.700
   52   2HB   LYS   6          1HB       LYS   6   1.291  -7.557  -9.080
   53   1HG   LYS   6          2HG       LYS   6  -1.254  -7.753  -8.148
   54   2HG   LYS   6          1HG       LYS   6  -1.278  -6.166  -8.923
   55   1HD   LYS   6          2HD       LYS   6  -0.112  -8.539 -10.332
   56   2HD   LYS   6          1HD       LYS   6  -1.854  -8.256 -10.332
   57   1HE   LYS   6          2HE       LYS   6  -0.932  -5.795 -10.991
   58   2HE   LYS   6          1HE       LYS   6   0.303  -6.818 -11.723
   59   1HZ   LYS   6          1HZ       LYS   6  -2.447  -7.626 -12.187
   60   2HZ   LYS   6          2HZ       LYS   6  -1.130  -7.606 -13.248
   61   3HZ   LYS   6          3HZ       LYS   6  -1.977  -6.178 -12.927
   62    H    THR   7           H        THR   7   2.803  -8.896  -6.932
   63    HA   THR   7           HA       THR   7   4.816  -7.021  -5.921
   64    HB   THR   7           HB       THR   7   6.068  -8.865  -5.155
   65    HG1  THR   7           HG1      THR   7   5.053 -11.072  -5.812
   66   1HG2  THR   7          1HG2      THR   7   4.680  -9.588  -3.529
   67   2HG2  THR   7          2HG2      THR   7   3.483 -10.188  -4.676
   68   3HG2  THR   7          3HG2      THR   7   3.532  -8.473  -4.269
   69    H    LEU   8           H        LEU   8   7.142  -7.768  -6.719
   70    HA   LEU   8           HA       LEU   8   7.272  -7.072  -9.463
   71   1HB   LEU   8          2HB       LEU   8   9.517  -8.322  -7.903
   72   2HB   LEU   8          1HB       LEU   8   9.623  -7.193  -9.240
   73    HG   LEU   8           HG       LEU   8   8.285  -6.281  -6.738
   74   1HD1  LEU   8          1HD1      LEU   8  10.819  -5.487  -6.274
   75   2HD1  LEU   8          2HD1      LEU   8  11.108  -7.084  -6.965
   76   3HD1  LEU   8          3HD1      LEU   8  10.083  -6.912  -5.539
   77   1HD2  LEU   8          1HD2      LEU   8  10.032  -4.991  -8.829
   78   2HD2  LEU   8          2HD2      LEU   8   9.394  -4.162  -7.408
   79   3HD2  LEU   8          3HD2      LEU   8   8.290  -4.798  -8.629
   80    H    THR   9           H        THR   9   6.570  -9.986  -7.999
   81    HA   THR   9           HA       THR   9   7.604 -11.542 -10.274
   82    HB   THR   9           HB       THR   9   7.628 -13.473  -8.945
   83    HG1  THR   9           HG1      THR   9   5.829 -13.639  -7.797
   84   1HG2  THR   9          1HG2      THR   9   9.322 -11.697  -8.311
   85   2HG2  THR   9          2HG2      THR   9   9.016 -12.939  -7.095
   86   3HG2  THR   9          3HG2      THR   9   8.293 -11.340  -6.922
   87    H    GLY  10           H        GLY  10   4.751 -10.491  -8.624
   88   1HA   GLY  10          2HA       GLY  10   2.798 -10.520 -10.251
   89   2HA   GLY  10          1HA       GLY  10   3.103 -12.249 -10.329
   90    H    LYS  11           H        LYS  11   3.384 -13.126  -7.900
   91    HA   LYS  11           HA       LYS  11   1.329 -13.877  -6.665
   92   1HB   LYS  11          2HB       LYS  11   3.549 -13.836  -5.570
   93   2HB   LYS  11          1HB       LYS  11   3.243 -12.181  -5.060
   94   1HG   LYS  11          2HG       LYS  11   1.247 -13.010  -3.816
   95   2HG   LYS  11          1HG       LYS  11   1.757 -14.654  -4.208
   96   1HD   LYS  11          2HD       LYS  11   3.847 -14.322  -3.031
   97   2HD   LYS  11          1HD       LYS  11   3.430 -12.637  -2.713
   98   1HE   LYS  11          2HE       LYS  11   3.049 -14.128  -0.771
   99   2HE   LYS  11          1HE       LYS  11   1.591 -13.300  -1.315
  100   1HZ   LYS  11          1HZ       LYS  11   1.614 -15.866  -0.807
  101   2HZ   LYS  11          2HZ       LYS  11   2.141 -15.955  -2.412
  102   3HZ   LYS  11          3HZ       LYS  11   0.660 -15.222  -2.048
  103    H    THR  12           H        THR  12  -0.641 -13.294  -6.086
  104    HA   THR  12           HA       THR  12  -1.250 -10.432  -5.860
  105    HB   THR  12           HB       THR  12  -3.311 -12.616  -6.040
  106    HG1  THR  12           HG1      THR  12  -3.158 -11.793  -8.412
  107   1HG2  THR  12          1HG2      THR  12  -4.514 -10.727  -5.669
  108   2HG2  THR  12          2HG2      THR  12  -4.288 -10.516  -7.406
  109   3HG2  THR  12          3HG2      THR  12  -3.239  -9.669  -6.270
  110    H    VAL  13           H        VAL  13  -1.620  -9.570  -3.933
  111    HA   VAL  13           HA       VAL  13  -2.396 -11.356  -1.720
  112    HB   VAL  13           HB       VAL  13  -1.330  -9.645  -0.215
  113   1HG1  VAL  13          1HG1      VAL  13   0.622 -10.859  -2.156
  114   2HG1  VAL  13          2HG1      VAL  13  -0.269 -11.807  -0.965
  115   3HG1  VAL  13          3HG1      VAL  13   0.849 -10.550  -0.435
  116   1HG2  VAL  13          1HG2      VAL  13  -0.026  -8.658  -2.744
  117   2HG2  VAL  13          2HG2      VAL  13   0.188  -8.036  -1.108
  118   3HG2  VAL  13          3HG2      VAL  13  -1.355  -7.828  -1.935
  119    H    THR  14           H        THR  14  -4.118 -10.811  -0.481
  120    HA   THR  14           HA       THR  14  -5.623  -8.424  -1.307
  121    HB   THR  14           HB       THR  14  -7.429  -9.776   0.155
  122    HG1  THR  14           HG1      THR  14  -6.129 -11.551   0.603
  123   1HG2  THR  14          1HG2      THR  14  -8.481 -10.221  -1.835
  124   2HG2  THR  14          2HG2      THR  14  -7.006 -10.789  -2.615
  125   3HG2  THR  14          3HG2      THR  14  -7.274  -9.060  -2.385
  126    H    ILE  15           H        ILE  15  -6.172  -6.867   0.124
  127    HA   ILE  15           HA       ILE  15  -5.621  -7.316   2.972
  128    HB   ILE  15           HB       ILE  15  -4.820  -4.764   1.586
  129   1HG1  ILE  15          2HG1      ILE  15  -3.037  -7.088   2.351
  130   2HG1  ILE  15          1HG1      ILE  15  -3.494  -6.665   0.704
  131   1HG2  ILE  15          1HG2      ILE  15  -3.307  -5.035   3.844
  132   2HG2  ILE  15          2HG2      ILE  15  -4.839  -5.756   4.337
  133   3HG2  ILE  15          3HG2      ILE  15  -4.799  -4.103   3.725
  134   1HD1  ILE  15          1HD1      ILE  15  -1.299  -5.743   2.179
  135   2HD1  ILE  15          2HD1      ILE  15  -2.395  -4.372   2.000
  136   3HD1  ILE  15          3HD1      ILE  15  -1.821  -5.234   0.572
  137    H    GLU  16           H        GLU  16  -6.815  -5.998   4.406
  138    HA   GLU  16           HA       GLU  16  -9.262  -4.925   3.203
  139   1HB   GLU  16          2HB       GLU  16  -8.714  -5.549   6.109
  140   2HB   GLU  16          1HB       GLU  16 -10.272  -5.166   5.389
  141   1HG   GLU  16          2HG       GLU  16  -9.877  -7.248   3.935
  142   2HG   GLU  16          1HG       GLU  16  -8.641  -7.659   5.124
  143    H    VAL  17           H        VAL  17  -9.680  -2.821   3.171
  144    HA   VAL  17           HA       VAL  17  -8.384  -1.052   5.100
  145    HB   VAL  17           HB       VAL  17  -7.452   0.418   3.559
  146   1HG1  VAL  17          1HG1      VAL  17  -6.933  -1.976   1.894
  147   2HG1  VAL  17          2HG1      VAL  17  -6.542  -2.083   3.611
  148   3HG1  VAL  17          3HG1      VAL  17  -5.806  -0.828   2.616
  149   1HG2  VAL  17          1HG2      VAL  17  -9.528  -0.604   1.774
  150   2HG2  VAL  17          2HG2      VAL  17  -7.983  -0.314   0.975
  151   3HG2  VAL  17          3HG2      VAL  17  -8.782   0.992   1.851
  152    H    GLU  18           H        GLU  18  -9.300   1.263   4.813
  153    HA   GLU  18           HA       GLU  18 -12.114   1.146   3.975
  154   1HB   GLU  18          2HB       GLU  18 -11.027   2.010   6.642
  155   2HB   GLU  18          1HB       GLU  18 -12.574   2.599   6.051
  156   1HG   GLU  18          2HG       GLU  18 -11.809  -0.257   6.598
  157   2HG   GLU  18          1HG       GLU  18 -12.949   0.737   7.504
  158    HA   PRO  19           HA       PRO  19 -11.210   4.831   1.700
  159   1HB   PRO  19          2HB       PRO  19 -13.984   5.539   2.552
  160   2HB   PRO  19          1HB       PRO  19 -13.259   5.577   0.940
  161   1HG   PRO  19          2HG       PRO  19 -14.924   3.617   1.639
  162   2HG   PRO  19          1HG       PRO  19 -13.499   3.290   0.635
  163   1HD   PRO  19          2HD       PRO  19 -13.970   2.687   3.514
  164   2HD   PRO  19          1HD       PRO  19 -13.021   1.792   2.311
  165    H    SER  20           H        SER  20  -9.711   5.632   3.254
  166    HA   SER  20           HA       SER  20  -9.893   8.113   4.159
  167   1HB   SER  20          2HB       SER  20 -10.486   7.759   6.682
  168   2HB   SER  20          1HB       SER  20 -11.784   7.940   5.503
  169    HG   SER  20           HG       SER  20 -10.888   5.356   5.911
  170    H    ASP  21           H        ASP  21  -8.537   5.054   4.387
  171    HA   ASP  21           HA       ASP  21  -6.687   5.521   6.511
  172   1HB   ASP  21          2HB       ASP  21  -6.780   3.480   4.283
  173   2HB   ASP  21          1HB       ASP  21  -5.530   3.500   5.521
  174    H    THR  22           H        THR  22  -4.347   5.692   6.220
  175    HA   THR  22           HA       THR  22  -3.713   7.402   3.919
  176    HB   THR  22           HB       THR  22  -2.013   8.424   5.197
  177    HG1  THR  22           HG1      THR  22  -1.878   7.330   7.516
  178   1HG2  THR  22          1HG2      THR  22  -3.987   7.935   7.387
  179   2HG2  THR  22          2HG2      THR  22  -4.513   8.744   5.911
  180   3HG2  THR  22          3HG2      THR  22  -3.218   9.440   6.884
  181    H    VAL  23           H        VAL  23  -1.881   7.083   2.677
  182    HA   VAL  23           HA       VAL  23  -1.160   4.570   1.921
  183    HB   VAL  23           HB       VAL  23   0.667   6.978   1.922
  184   1HG1  VAL  23          1HG1      VAL  23   0.771   4.618   0.063
  185   2HG1  VAL  23          2HG1      VAL  23   1.722   4.704   1.545
  186   3HG1  VAL  23          3HG1      VAL  23   1.963   5.901   0.272
  187   1HG2  VAL  23          1HG2      VAL  23  -1.737   6.867   0.736
  188   2HG2  VAL  23          2HG2      VAL  23  -0.754   6.120  -0.521
  189   3HG2  VAL  23          3HG2      VAL  23  -0.363   7.739   0.057
  190    H    GLU  24           H        GLU  24   0.305   6.513   4.482
  191    HA   GLU  24           HA       GLU  24   2.533   5.055   5.112
  192   1HB   GLU  24          2HB       GLU  24   2.211   7.009   6.358
  193   2HB   GLU  24          1HB       GLU  24   0.577   6.558   6.824
  194   1HG   GLU  24          2HG       GLU  24   1.476   4.815   8.284
  195   2HG   GLU  24          1HG       GLU  24   3.113   5.282   7.823
  196    H    ASN  25           H        ASN  25  -0.661   4.555   6.642
  197    HA   ASN  25           HA       ASN  25   0.001   2.207   7.990
  198   1HB   ASN  25          2HB       ASN  25  -2.468   1.764   8.003
  199   2HB   ASN  25          1HB       ASN  25  -2.023   3.376   8.555
  200   1HD2  ASN  25          1HD2      ASN  25  -2.911   1.654   5.586
  201   2HD2  ASN  25          2HD2      ASN  25  -3.871   2.930   4.930
  202    H    PHE  26           H        PHE  26  -1.006   2.746   4.678
  203    HA   PHE  26           HA       PHE  26  -1.635   0.111   3.963
  204   1HB   PHE  26          2HB       PHE  26  -2.047   2.188   2.587
  205   2HB   PHE  26          1HB       PHE  26  -0.339   2.163   2.159
  206    HD1  PHE  26           HD1      PHE  26  -1.511  -1.134   2.540
  207    HD2  PHE  26           HD2      PHE  26  -1.528   2.156  -0.174
  208    HE1  PHE  26           HE1      PHE  26  -2.003  -2.676   0.680
  209    HE2  PHE  26           HE2      PHE  26  -2.022   0.620  -2.038
  210    HZ   PHE  26           HZ       PHE  26  -2.260  -1.799  -1.611
  211    H    LYS  27           H        LYS  27   1.445   1.866   3.836
  212    HA   LYS  27           HA       LYS  27   2.947  -0.287   2.762
  213   1HB   LYS  27          2HB       LYS  27   4.037   1.965   4.450
  214   2HB   LYS  27          1HB       LYS  27   4.878   1.040   3.215
  215   1HG   LYS  27          2HG       LYS  27   3.268   2.011   1.544
  216   2HG   LYS  27          1HG       LYS  27   2.714   3.087   2.828
  217   1HD   LYS  27          2HD       LYS  27   4.318   4.445   1.991
  218   2HD   LYS  27          1HD       LYS  27   5.368   3.472   3.022
  219   1HE   LYS  27          2HE       LYS  27   6.548   3.103   1.157
  220   2HE   LYS  27          1HE       LYS  27   5.258   1.976   0.737
  221   1HZ   LYS  27          1HZ       LYS  27   6.032   4.258  -0.640
  222   2HZ   LYS  27          2HZ       LYS  27   4.502   4.587   0.001
  223   3HZ   LYS  27          3HZ       LYS  27   4.731   3.233  -0.987
  224    H    ALA  28           H        ALA  28   2.055   0.666   6.001
  225    HA   ALA  28           HA       ALA  28   3.931  -0.950   7.387
  226   1HB   ALA  28          1HB       ALA  28   2.066  -0.696   9.234
  227   2HB   ALA  28          2HB       ALA  28   1.447   0.518   8.113
  228   3HB   ALA  28          3HB       ALA  28   3.080   0.667   8.763
  229    H    LYS  29           H        LYS  29   0.593  -1.466   6.329
  230    HA   LYS  29           HA       LYS  29   0.259  -3.988   7.562
  231   1HB   LYS  29          2HB       LYS  29  -1.123  -2.781   5.160
  232   2HB   LYS  29          1HB       LYS  29  -1.643  -4.250   5.974
  233   1HG   LYS  29          2HG       LYS  29  -2.282  -3.095   7.902
  234   2HG   LYS  29          1HG       LYS  29  -1.367  -1.656   7.449
  235   1HD   LYS  29          2HD       LYS  29  -3.189  -0.816   6.500
  236   2HD   LYS  29          1HD       LYS  29  -3.205  -2.168   5.365
  237   1HE   LYS  29          2HE       LYS  29  -5.208  -2.617   6.273
  238   2HE   LYS  29          1HE       LYS  29  -4.260  -3.330   7.576
  239   1HZ   LYS  29          1HZ       LYS  29  -5.459  -1.934   8.834
  240   2HZ   LYS  29          2HZ       LYS  29  -5.829  -0.897   7.551
  241   3HZ   LYS  29          3HZ       LYS  29  -4.335  -0.774   8.333
  242    H    ILE  30           H        ILE  30   1.261  -3.030   4.299
  243    HA   ILE  30           HA       ILE  30   1.451  -5.614   3.212
  244    HB   ILE  30           HB       ILE  30   3.015  -3.135   2.480
  245   1HG1  ILE  30          2HG1      ILE  30   0.534  -4.307   1.204
  246   2HG1  ILE  30          1HG1      ILE  30   0.520  -2.960   2.338
  247   1HG2  ILE  30          1HG2      ILE  30   2.702  -5.790   1.107
  248   2HG2  ILE  30          2HG2      ILE  30   4.189  -4.956   1.558
  249   3HG2  ILE  30          3HG2      ILE  30   3.188  -4.328   0.247
  250   1HD1  ILE  30          1HD1      ILE  30   2.350  -2.537   0.127
  251   2HD1  ILE  30          2HD1      ILE  30   1.070  -1.501   0.760
  252   3HD1  ILE  30          3HD1      ILE  30   0.682  -2.778  -0.392
  253    H    GLN  31           H        GLN  31   3.738  -3.660   5.044
  254    HA   GLN  31           HA       GLN  31   6.042  -5.196   4.632
  255   1HB   GLN  31          2HB       GLN  31   6.173  -3.001   5.641
  256   2HB   GLN  31          1HB       GLN  31   5.206  -3.529   7.010
  257   1HG   GLN  31          2HG       GLN  31   7.388  -5.284   6.874
  258   2HG   GLN  31          1HG       GLN  31   8.037  -3.664   6.626
  259   1HE2  GLN  31          1HE2      GLN  31   8.980  -3.270   8.532
  260   2HE2  GLN  31          2HE2      GLN  31   8.166  -3.268  10.055
  261    H    ASP  32           H        ASP  32   3.472  -5.476   7.043
  262    HA   ASP  32           HA       ASP  32   4.688  -7.624   8.466
  263   1HB   ASP  32          2HB       ASP  32   2.791  -5.963   9.191
  264   2HB   ASP  32          1HB       ASP  32   1.726  -7.166   8.472
  265    H    LYS  33           H        LYS  33   3.103  -7.443   5.485
  266    HA   LYS  33           HA       LYS  33   2.352 -10.282   5.558
  267   1HB   LYS  33          2HB       LYS  33   1.433  -7.932   3.980
  268   2HB   LYS  33          1HB       LYS  33   1.385  -9.505   3.197
  269   1HG   LYS  33          2HG       LYS  33   0.274  -9.810   5.778
  270   2HG   LYS  33          1HG       LYS  33  -0.448  -8.376   5.049
  271   1HD   LYS  33          2HD       LYS  33  -0.614 -10.000   2.952
  272   2HD   LYS  33          1HD       LYS  33  -0.615 -11.224   4.223
  273   1HE   LYS  33          2HE       LYS  33  -2.590 -10.421   5.163
  274   2HE   LYS  33          1HE       LYS  33  -2.436  -8.850   4.377
  275   1HZ   LYS  33          1HZ       LYS  33  -2.861  -9.953   2.244
  276   2HZ   LYS  33          2HZ       LYS  33  -4.152 -10.141   3.320
  277   3HZ   LYS  33          3HZ       LYS  33  -3.087 -11.426   3.047
  278    H    GLU  34           H        GLU  34   4.242  -7.924   3.722
  279    HA   GLU  34           HA       GLU  34   5.411 -10.096   2.140
  280   1HB   GLU  34          2HB       GLU  34   5.639  -7.100   1.808
  281   2HB   GLU  34          1HB       GLU  34   6.341  -8.299   0.730
  282   1HG   GLU  34          2HG       GLU  34   4.049  -9.136   0.267
  283   2HG   GLU  34          1HG       GLU  34   3.418  -7.798   1.227
  284    H    GLY  35           H        GLY  35   6.067  -8.138   4.831
  285   1HA   GLY  35          2HA       GLY  35   7.898  -8.081   6.228
  286   2HA   GLY  35          1HA       GLY  35   8.617  -9.343   5.239
  287    H    ILE  36           H        ILE  36   7.611  -6.515   3.587
  288    HA   ILE  36           HA       ILE  36  10.419  -5.767   3.196
  289    HB   ILE  36           HB       ILE  36   7.952  -5.054   1.607
  290   1HG1  ILE  36          2HG1      ILE  36  10.359  -6.725   0.853
  291   2HG1  ILE  36          1HG1      ILE  36   8.814  -7.387   1.380
  292   1HG2  ILE  36          1HG2      ILE  36  10.436  -4.460   0.291
  293   2HG2  ILE  36          2HG2      ILE  36  10.335  -3.604   1.830
  294   3HG2  ILE  36          3HG2      ILE  36   9.065  -3.403   0.624
  295   1HD1  ILE  36          1HD1      ILE  36   9.389  -5.831  -1.121
  296   2HD1  ILE  36          2HD1      ILE  36   7.759  -6.199  -0.557
  297   3HD1  ILE  36          3HD1      ILE  36   8.864  -7.508  -0.978
  298    HA   PRO  37           HA       PRO  37   9.887  -2.214   5.795
  299   1HB   PRO  37          2HB       PRO  37  12.043  -0.799   4.883
  300   2HB   PRO  37          1HB       PRO  37  12.163  -2.137   6.028
  301   1HG   PRO  37          2HG       PRO  37  12.617  -2.126   3.069
  302   2HG   PRO  37          1HG       PRO  37  13.553  -2.931   4.343
  303   1HD   PRO  37          2HD       PRO  37  11.787  -4.267   2.808
  304   2HD   PRO  37          1HD       PRO  37  12.050  -4.681   4.514
  305    HA   PRO  38           HA       PRO  38   7.346   0.371   3.194
  306   1HB   PRO  38          2HB       PRO  38   7.899   2.274   5.427
  307   2HB   PRO  38          1HB       PRO  38   6.359   1.834   4.680
  308   1HG   PRO  38          2HG       PRO  38   7.042   0.851   7.058
  309   2HG   PRO  38          1HG       PRO  38   6.206  -0.158   5.862
  310   1HD   PRO  38          2HD       PRO  38   9.071  -0.172   6.687
  311   2HD   PRO  38          1HD       PRO  38   8.034  -1.521   6.183
  312    H    ASP  39           H        ASP  39  10.329   1.534   4.704
  313    HA   ASP  39           HA       ASP  39  10.714   3.874   3.274
  314   1HB   ASP  39          2HB       ASP  39  13.216   3.319   3.608
  315   2HB   ASP  39          1HB       ASP  39  12.209   3.512   5.039
  316    H    GLN  40           H        GLN  40  10.868   0.618   2.188
  317    HA   GLN  40           HA       GLN  40  11.982   1.534  -0.383
  318   1HB   GLN  40          2HB       GLN  40  12.238  -1.188   0.906
  319   2HB   GLN  40          1HB       GLN  40  12.799  -0.785  -0.711
  320   1HG   GLN  40          2HG       GLN  40  14.414   0.746   0.159
  321   2HG   GLN  40          1HG       GLN  40  13.767   0.575   1.789
  322   1HE2  GLN  40          1HE2      GLN  40  14.679  -1.726  -0.756
  323   2HE2  GLN  40          2HE2      GLN  40  15.746  -2.658   0.233
  324    H    GLN  41           H        GLN  41   9.167   1.348   0.660
  325    HA   GLN  41           HA       GLN  41   8.066  -0.617  -1.225
  326   1HB   GLN  41          2HB       GLN  41   7.026   0.673   1.264
  327   2HB   GLN  41          1HB       GLN  41   5.882   0.110   0.054
  328   1HG   GLN  41          2HG       GLN  41   7.109  -2.121   0.181
  329   2HG   GLN  41          1HG       GLN  41   7.850  -1.488   1.649
  330   1HE2  GLN  41          1HE2      GLN  41   6.908  -2.378   3.334
  331   2HE2  GLN  41          2HE2      GLN  41   5.209  -2.594   3.556
  332    H    ARG  42           H        ARG  42   7.584   0.159  -3.162
  333    HA   ARG  42           HA       ARG  42   6.686   2.951  -3.390
  334   1HB   ARG  42          2HB       ARG  42   8.715   1.685  -4.730
  335   2HB   ARG  42          1HB       ARG  42   7.383   1.538  -5.868
  336   1HG   ARG  42          2HG       ARG  42   7.076   3.932  -5.880
  337   2HG   ARG  42          1HG       ARG  42   8.324   4.124  -4.647
  338   1HD   ARG  42          2HD       ARG  42  10.022   3.777  -6.113
  339   2HD   ARG  42          1HD       ARG  42   9.083   2.657  -7.101
  340    HE   ARG  42           HE       ARG  42   8.407   4.419  -8.398
  341   1HH1  ARG  42          2HH1      ARG  42   9.786   5.635  -5.442
  342   2HH1  ARG  42          1HH1      ARG  42   9.779   7.287  -5.964
  343   1HH2  ARG  42          1HH2      ARG  42   8.395   6.590  -9.098
  344   2HH2  ARG  42          2HH2      ARG  42   8.987   7.830  -8.045
  345    H    LEU  43           H        LEU  43   4.544   3.110  -3.477
  346    HA   LEU  43           HA       LEU  43   3.026   1.010  -4.863
  347   1HB   LEU  43          2HB       LEU  43   2.003   3.087  -2.928
  348   2HB   LEU  43          1HB       LEU  43   1.099   1.737  -3.589
  349    HG   LEU  43           HG       LEU  43   3.442   1.544  -1.696
  350   1HD1  LEU  43          1HD1      LEU  43   0.564   1.750  -1.327
  351   2HD1  LEU  43          2HD1      LEU  43   1.874   1.932  -0.160
  352   3HD1  LEU  43          3HD1      LEU  43   1.260   0.327  -0.553
  353   1HD2  LEU  43          1HD2      LEU  43   1.695  -0.748  -2.478
  354   2HD2  LEU  43          2HD2      LEU  43   3.333  -0.755  -1.825
  355   3HD2  LEU  43          3HD2      LEU  43   3.054  -0.290  -3.504
  356    H    ILE  44           H        ILE  44   2.101   1.451  -6.746
  357    HA   ILE  44           HA       ILE  44   1.632   4.273  -7.460
  358    HB   ILE  44           HB       ILE  44   2.471   2.087  -9.365
  359   1HG1  ILE  44          2HG1      ILE  44   4.001   4.131  -7.825
  360   2HG1  ILE  44          1HG1      ILE  44   4.462   2.497  -8.286
  361   1HG2  ILE  44          1HG2      ILE  44   0.997   3.902 -10.259
  362   2HG2  ILE  44          2HG2      ILE  44   2.576   3.784 -11.035
  363   3HG2  ILE  44          3HG2      ILE  44   2.269   5.052  -9.849
  364   1HD1  ILE  44          1HD1      ILE  44   5.016   3.178 -10.481
  365   2HD1  ILE  44          2HD1      ILE  44   5.756   4.337  -9.376
  366   3HD1  ILE  44          3HD1      ILE  44   4.280   4.763 -10.244
  367    H    PHE  45           H        PHE  45  -0.398   4.749  -7.996
  368    HA   PHE  45           HA       PHE  45  -2.180   2.552  -8.822
  369   1HB   PHE  45          2HB       PHE  45  -2.642   3.365  -6.513
  370   2HB   PHE  45          1HB       PHE  45  -2.954   4.967  -7.174
  371    HD1  PHE  45           HD1      PHE  45  -4.065   1.426  -7.538
  372    HD2  PHE  45           HD2      PHE  45  -5.113   5.556  -7.730
  373    HE1  PHE  45           HE1      PHE  45  -6.422   0.808  -7.913
  374    HE2  PHE  45           HE2      PHE  45  -7.471   4.945  -8.103
  375    HZ   PHE  45           HZ       PHE  45  -8.127   2.568  -8.195
  376    H    ALA  46           H        ALA  46  -3.187   2.818 -10.707
  377    HA   ALA  46           HA       ALA  46  -3.546   3.747 -12.784
  378   1HB   ALA  46          1HB       ALA  46  -5.110   5.092 -10.732
  379   2HB   ALA  46          2HB       ALA  46  -5.608   4.445 -12.294
  380   3HB   ALA  46          3HB       ALA  46  -4.913   6.061 -12.192
  381    H    GLY  47           H        GLY  47  -0.977   4.288 -12.260
  382   1HA   GLY  47          2HA       GLY  47   0.740   5.669 -12.906
  383   2HA   GLY  47          1HA       GLY  47  -0.460   6.591 -13.799
  384    H    LYS  48           H        LYS  48  -0.173   6.022 -10.306
  385    HA   LYS  48           HA       LYS  48   0.581   8.804  -9.885
  386   1HB   LYS  48          2HB       LYS  48  -2.035   7.603  -9.056
  387   2HB   LYS  48          1HB       LYS  48  -1.292   8.839  -8.053
  388   1HG   LYS  48          2HG       LYS  48  -1.311  10.398  -9.906
  389   2HG   LYS  48          1HG       LYS  48  -1.974   9.154 -10.969
  390   1HD   LYS  48          2HD       LYS  48  -3.978   9.030  -9.564
  391   2HD   LYS  48          1HD       LYS  48  -3.313  10.278  -8.508
  392   1HE   LYS  48          2HE       LYS  48  -3.128  11.502 -10.912
  393   2HE   LYS  48          1HE       LYS  48  -4.558  10.503 -11.168
  394   1HZ   LYS  48          1HZ       LYS  48  -4.949  11.594  -8.704
  395   2HZ   LYS  48          2HZ       LYS  48  -5.660  12.123 -10.144
  396   3HZ   LYS  48          3HZ       LYS  48  -4.248  12.862  -9.578
  397    H    GLN  49           H        GLN  49   2.236   8.750  -8.525
  398    HA   GLN  49           HA       GLN  49   2.858   6.477  -6.937
  399   1HB   GLN  49          2HB       GLN  49   4.356   8.446  -7.938
  400   2HB   GLN  49          1HB       GLN  49   4.101   9.113  -6.331
  401   1HG   GLN  49          2HG       GLN  49   4.825   6.353  -6.122
  402   2HG   GLN  49          1HG       GLN  49   5.991   7.203  -7.133
  403   1HE2  GLN  49          1HE2      GLN  49   6.091   6.079  -4.353
  404   2HE2  GLN  49          2HE2      GLN  49   6.681   7.379  -3.380
  405    H    LEU  50           H        LEU  50   2.220   5.969  -4.946
  406    HA   LEU  50           HA       LEU  50   0.413   7.683  -3.522
  407   1HB   LEU  50          2HB       LEU  50   1.536   4.946  -3.087
  408   2HB   LEU  50          1HB       LEU  50   0.740   5.769  -1.759
  409    HG   LEU  50           HG       LEU  50  -1.279   6.021  -3.246
  410   1HD1  LEU  50          1HD1      LEU  50   0.562   4.857  -5.136
  411   2HD1  LEU  50          2HD1      LEU  50  -1.015   5.596  -5.409
  412   3HD1  LEU  50          3HD1      LEU  50  -0.904   3.886  -4.989
  413   1HD2  LEU  50          1HD2      LEU  50  -0.346   3.807  -1.763
  414   2HD2  LEU  50          2HD2      LEU  50  -1.166   3.176  -3.191
  415   3HD2  LEU  50          3HD2      LEU  50  -2.014   4.273  -2.100
  416    H    GLU  51           H        GLU  51   0.927   9.181  -2.076
  417    HA   GLU  51           HA       GLU  51   3.648   9.191  -0.974
  418   1HB   GLU  51          2HB       GLU  51   1.699  11.475  -0.800
  419   2HB   GLU  51          1HB       GLU  51   3.454  11.521  -0.702
  420   1HG   GLU  51          2HG       GLU  51   2.054  10.675  -3.211
  421   2HG   GLU  51          1HG       GLU  51   2.331  12.376  -2.835
  422    H    ASP  52           H        ASP  52   4.034   9.017   1.165
  423    HA   ASP  52           HA       ASP  52   2.026   8.008   2.878
  424   1HB   ASP  52          2HB       ASP  52   4.739   9.129   3.611
  425   2HB   ASP  52          1HB       ASP  52   3.730   8.110   4.633
  426    H    GLY  53           H        GLY  53   0.697  10.064   2.180
  427   1HA   GLY  53          2HA       GLY  53   0.532  11.699   4.562
  428   2HA   GLY  53          1HA       GLY  53   0.948  12.579   3.101
  429    H    ARG  54           H        ARG  54  -0.763  10.708   1.468
  430    HA   ARG  54           HA       ARG  54  -3.297  12.046   2.062
  431   1HB   ARG  54          2HB       ARG  54  -2.907  10.471  -0.433
  432   2HB   ARG  54          1HB       ARG  54  -3.784  11.974  -0.179
  433   1HG   ARG  54          2HG       ARG  54  -1.238  12.772   0.301
  434   2HG   ARG  54          1HG       ARG  54  -0.984  11.522  -0.918
  435   1HD   ARG  54          2HD       ARG  54  -1.264  13.501  -2.142
  436   2HD   ARG  54          1HD       ARG  54  -2.820  12.678  -2.252
  437    HE   ARG  54           HE       ARG  54  -2.934  14.395  -0.064
  438   1HH1  ARG  54          2HH1      ARG  54  -2.591  14.597  -3.524
  439   2HH1  ARG  54          1HH1      ARG  54  -3.359  16.144  -3.640
  440   1HH2  ARG  54          1HH2      ARG  54  -3.947  16.433  -0.205
  441   2HH2  ARG  54          2HH2      ARG  54  -4.129  17.189  -1.752
  442    H    THR  55           H        THR  55  -5.216  10.584   1.106
  443    HA   THR  55           HA       THR  55  -4.947   7.920   2.339
  444    HB   THR  55           HB       THR  55  -7.196   8.058   3.194
  445    HG1  THR  55           HG1      THR  55  -8.577   9.534   2.520
  446   1HG2  THR  55          1HG2      THR  55  -6.261  10.733   4.033
  447   2HG2  THR  55          2HG2      THR  55  -5.113   9.410   4.238
  448   3HG2  THR  55          3HG2      THR  55  -6.699   9.328   5.005
  449    H    LEU  56           H        LEU  56  -6.236   6.244   1.454
  450    HA   LEU  56           HA       LEU  56  -6.278   5.953  -1.241
  451   1HB   LEU  56          2HB       LEU  56  -8.355   4.827   0.641
  452   2HB   LEU  56          1HB       LEU  56  -7.968   4.206  -0.953
  453    HG   LEU  56           HG       LEU  56  -5.935   4.320   1.265
  454   1HD1  LEU  56          1HD1      LEU  56  -8.084   2.337   0.728
  455   2HD1  LEU  56          2HD1      LEU  56  -7.397   2.875   2.261
  456   3HD1  LEU  56          3HD1      LEU  56  -6.502   1.749   1.240
  457   1HD2  LEU  56          1HD2      LEU  56  -5.749   2.231  -0.747
  458   2HD2  LEU  56          2HD2      LEU  56  -4.530   3.375  -0.184
  459   3HD2  LEU  56          3HD2      LEU  56  -5.677   3.852  -1.435
  460    H    SER  57           H        SER  57  -8.722   7.525   0.734
  461    HA   SER  57           HA       SER  57 -10.721   7.779  -1.225
  462   1HB   SER  57          2HB       SER  57 -11.747   9.366   0.225
  463   2HB   SER  57          1HB       SER  57 -10.937   8.206   1.279
  464    HG   SER  57           HG       SER  57 -10.495  10.325   1.942
  465    H    ASP  58           H        ASP  58  -7.839   9.645  -0.544
  466    HA   ASP  58           HA       ASP  58  -8.455  11.925  -2.078
  467   1HB   ASP  58          2HB       ASP  58  -5.867  10.681  -1.174
  468   2HB   ASP  58          1HB       ASP  58  -5.881  12.113  -2.199
  469    H    TYR  59           H        TYR  59  -7.328   8.750  -2.924
  470    HA   TYR  59           HA       TYR  59  -6.798   9.587  -5.682
  471   1HB   TYR  59          2HB       TYR  59  -6.326   6.913  -4.346
  472   2HB   TYR  59          1HB       TYR  59  -5.838   7.347  -5.980
  473    HD1  TYR  59           HD1      TYR  59  -4.001   8.957  -6.344
  474    HD2  TYR  59           HD2      TYR  59  -5.065   7.635  -2.432
  475    HE1  TYR  59           HE1      TYR  59  -1.846   9.786  -5.484
  476    HE2  TYR  59           HE2      TYR  59  -2.914   8.461  -1.562
  477    HH   TYR  59           HH       TYR  59  -1.203  10.333  -2.349
  478    H    ASN  60           H        ASN  60  -9.474   9.146  -4.210
  479    HA   ASN  60           HA       ASN  60 -11.519   8.187  -4.592
  480   1HB   ASN  60          2HB       ASN  60 -10.464   9.300  -7.062
  481   2HB   ASN  60          1HB       ASN  60 -11.629   8.017  -7.370
  482   1HD2  ASN  60          1HD2      ASN  60 -11.703  10.052  -4.539
  483   2HD2  ASN  60          2HD2      ASN  60 -13.147  10.905  -4.950
  484    H    ILE  61           H        ILE  61  -9.725   6.214  -3.963
  485    HA   ILE  61           HA       ILE  61  -9.808   4.113  -5.936
  486    HB   ILE  61           HB       ILE  61  -8.917   4.110  -3.053
  487   1HG1  ILE  61          2HG1      ILE  61  -7.142   3.678  -5.424
  488   2HG1  ILE  61          1HG1      ILE  61  -7.644   5.317  -5.020
  489   1HG2  ILE  61          1HG2      ILE  61  -9.759   1.901  -3.733
  490   2HG2  ILE  61          2HG2      ILE  61  -8.018   1.895  -3.448
  491   3HG2  ILE  61          3HG2      ILE  61  -8.642   1.911  -5.098
  492   1HD1  ILE  61          1HD1      ILE  61  -5.965   3.423  -3.432
  493   2HD1  ILE  61          2HD1      ILE  61  -6.789   4.781  -2.666
  494   3HD1  ILE  61          3HD1      ILE  61  -5.609   5.073  -3.944
  495    H    GLN  62           H        GLN  62 -11.195   2.433  -6.063
  496    HA   GLN  62           HA       GLN  62 -13.372   2.351  -4.081
  497   1HB   GLN  62          2HB       GLN  62 -13.476   1.396  -6.945
  498   2HB   GLN  62          1HB       GLN  62 -14.823   1.518  -5.822
  499   1HG   GLN  62          2HG       GLN  62 -14.101   4.049  -5.762
  500   2HG   GLN  62          1HG       GLN  62 -13.412   3.647  -7.334
  501   1HE2  GLN  62          1HE2      GLN  62 -15.828   5.232  -6.275
  502   2HE2  GLN  62          2HE2      GLN  62 -17.118   4.714  -7.301
  503    H    LYS  63           H        LYS  63 -14.461   0.138  -4.000
  504    HA   LYS  63           HA       LYS  63 -12.643  -1.747  -3.022
  505   1HB   LYS  63          2HB       LYS  63 -14.619  -3.327  -3.121
  506   2HB   LYS  63          1HB       LYS  63 -14.872  -1.839  -2.219
  507   1HG   LYS  63          2HG       LYS  63 -15.622  -1.412  -4.938
  508   2HG   LYS  63          1HG       LYS  63 -16.406  -2.876  -4.341
  509   1HD   LYS  63          2HD       LYS  63 -17.558  -1.746  -2.686
  510   2HD   LYS  63          1HD       LYS  63 -16.411  -0.405  -2.662
  511   1HE   LYS  63          2HE       LYS  63 -18.337   0.462  -3.685
  512   2HE   LYS  63          1HE       LYS  63 -17.228   0.124  -5.014
  513   1HZ   LYS  63          1HZ       LYS  63 -18.639  -2.189  -4.719
  514   2HZ   LYS  63          2HZ       LYS  63 -18.904  -1.010  -5.902
  515   3HZ   LYS  63          3HZ       LYS  63 -19.806  -0.988  -4.472
  516    H    GLU  64           H        GLU  64 -12.127  -3.870  -3.803
  517    HA   GLU  64           HA       GLU  64 -11.453  -5.394  -5.354
  518   1HB   GLU  64          2HB       GLU  64 -13.328  -3.968  -7.248
  519   2HB   GLU  64          1HB       GLU  64 -12.644  -5.574  -7.465
  520   1HG   GLU  64          2HG       GLU  64 -13.833  -6.227  -5.335
  521   2HG   GLU  64          1HG       GLU  64 -14.685  -4.688  -5.452
  522    H    SER  65           H        SER  65 -10.462  -2.467  -5.156
  523    HA   SER  65           HA       SER  65  -9.279  -2.020  -7.753
  524   1HB   SER  65          2HB       SER  65  -9.223  -0.592  -5.117
  525   2HB   SER  65          1HB       SER  65  -8.012  -0.206  -6.339
  526    HG   SER  65           HG       SER  65 -10.697   0.382  -6.268
  527    H    THR  66           H        THR  66  -7.110  -2.211  -8.294
  528    HA   THR  66           HA       THR  66  -5.496  -3.830  -6.432
  529    HB   THR  66           HB       THR  66  -5.151  -3.799  -9.428
  530    HG1  THR  66           HG1      THR  66  -6.339  -6.025  -8.332
  531   1HG2  THR  66          1HG2      THR  66  -3.242  -4.623  -8.183
  532   2HG2  THR  66          2HG2      THR  66  -4.047  -5.973  -8.985
  533   3HG2  THR  66          3HG2      THR  66  -4.279  -5.708  -7.256
  534    H    ILE  67           H        ILE  67  -3.246  -3.440  -6.341
  535    HA   ILE  67           HA       ILE  67  -2.317  -0.938  -7.565
  536    HB   ILE  67           HB       ILE  67  -2.075  -1.665  -4.647
  537   1HG1  ILE  67          2HG1      ILE  67  -2.901   0.969  -4.901
  538   2HG1  ILE  67          1HG1      ILE  67  -3.752   0.148  -6.207
  539   1HG2  ILE  67          1HG2      ILE  67  -0.913   0.757  -4.808
  540   2HG2  ILE  67          2HG2      ILE  67  -0.414   0.070  -6.354
  541   3HG2  ILE  67          3HG2      ILE  67  -0.018  -0.761  -4.851
  542   1HD1  ILE  67          1HD1      ILE  67  -5.048  -1.052  -4.793
  543   2HD1  ILE  67          2HD1      ILE  67  -4.742   0.344  -3.760
  544   3HD1  ILE  67          3HD1      ILE  67  -3.805  -1.135  -3.544
  545    H    HIS  68           H        HIS  68  -0.127  -0.848  -8.032
  546    HA   HIS  68           HA       HIS  68   1.245  -3.436  -7.942
  547   1HB   HIS  68          2HB       HIS  68   2.011  -0.989  -9.540
  548   2HB   HIS  68          1HB       HIS  68   2.620  -2.628  -9.743
  549    HD1  HIS  68           HD1      HIS  68   1.828  -2.945 -12.132
  550    HD2  HIS  68           HD2      HIS  68  -1.225  -1.860  -9.529
  551    HE1  HIS  68           HE1      HIS  68  -0.304  -3.252 -13.431
  552    HE2  HIS  68           HE2      HIS  68  -2.129  -2.497 -11.867
  553    H    LEU  69           H        LEU  69   3.155  -3.740  -6.922
  554    HA   LEU  69           HA       LEU  69   4.197  -1.467  -5.369
  555   1HB   LEU  69          2HB       LEU  69   3.393  -3.158  -3.901
  556   2HB   LEU  69          1HB       LEU  69   4.184  -4.426  -4.817
  557    HG   LEU  69           HG       LEU  69   6.390  -3.343  -4.133
  558   1HD1  LEU  69          1HD1      LEU  69   5.270  -1.204  -3.418
  559   2HD1  LEU  69          2HD1      LEU  69   6.425  -1.884  -2.272
  560   3HD1  LEU  69          3HD1      LEU  69   4.693  -2.077  -1.998
  561   1HD2  LEU  69          1HD2      LEU  69   5.398  -5.433  -3.173
  562   2HD2  LEU  69          2HD2      LEU  69   4.711  -4.441  -1.888
  563   3HD2  LEU  69          3HD2      LEU  69   6.460  -4.548  -2.078
  564    H    VAL  70           H        VAL  70   6.334  -0.947  -5.465
  565    HA   VAL  70           HA       VAL  70   8.082  -2.639  -7.116
  566    HB   VAL  70           HB       VAL  70   8.766   0.145  -7.440
  567   1HG1  VAL  70          1HG1      VAL  70   9.521  -0.726  -9.335
  568   2HG1  VAL  70          2HG1      VAL  70   7.880  -1.122  -9.844
  569   3HG1  VAL  70          3HG1      VAL  70   8.807  -2.273  -8.882
  570   1HG2  VAL  70          1HG2      VAL  70   6.899   0.969  -8.655
  571   2HG2  VAL  70          2HG2      VAL  70   6.284   0.387  -7.107
  572   3HG2  VAL  70          3HG2      VAL  70   6.070  -0.585  -8.563
  573    H    LEU  71           H        LEU  71  10.309  -2.501  -6.654
  574    HA   LEU  71           HA       LEU  71  10.866  -1.747  -3.907
  575   1HB   LEU  71          2HB       LEU  71  11.702  -3.816  -5.515
  576   2HB   LEU  71          1HB       LEU  71  13.096  -2.754  -5.512
  577    HG   LEU  71           HG       LEU  71  11.770  -3.987  -3.099
  578   1HD1  LEU  71          1HD1      LEU  71  13.235  -5.631  -3.330
  579   2HD1  LEU  71          2HD1      LEU  71  14.568  -4.476  -3.341
  580   3HD1  LEU  71          3HD1      LEU  71  13.772  -4.919  -4.852
  581   1HD2  LEU  71          1HD2      LEU  71  12.459  -2.022  -2.174
  582   2HD2  LEU  71          2HD2      LEU  71  13.724  -1.770  -3.377
  583   3HD2  LEU  71          3HD2      LEU  71  13.966  -2.932  -2.073
  584    H    ARG  72           H        ARG  72  12.096  -0.071  -3.259
  585    HA   ARG  72           HA       ARG  72  13.588   1.443  -5.284
  586   1HB   ARG  72          2HB       ARG  72  12.704   3.531  -4.576
  587   2HB   ARG  72          1HB       ARG  72  11.325   2.472  -4.839
  588   1HG   ARG  72          2HG       ARG  72  11.312   2.025  -2.377
  589   2HG   ARG  72          1HG       ARG  72  12.533   3.287  -2.210
  590   1HD   ARG  72          2HD       ARG  72   9.894   3.761  -3.567
  591   2HD   ARG  72          1HD       ARG  72  10.114   3.970  -1.830
  592    HE   ARG  72           HE       ARG  72  11.118   5.679  -3.937
  593   1HH1  ARG  72          2HH1      ARG  72  11.332   4.749  -0.587
  594   2HH1  ARG  72          1HH1      ARG  72  12.064   6.237  -0.086
  595   1HH2  ARG  72          1HH2      ARG  72  12.080   7.643  -3.287
  596   2HH2  ARG  72          2HH2      ARG  72  12.488   7.883  -1.622
  597    H    LEU  73           H        LEU  73  15.281   2.779  -4.430
  598    HA   LEU  73           HA       LEU  73  16.235   1.842  -1.806
  599   1HB   LEU  73          2HB       LEU  73  17.480   1.700  -4.264
  600   2HB   LEU  73          1HB       LEU  73  18.210   3.120  -3.539
  601    HG   LEU  73           HG       LEU  73  18.829   1.750  -1.562
  602   1HD1  LEU  73          1HD1      LEU  73  18.480  -0.538  -1.433
  603   2HD1  LEU  73          2HD1      LEU  73  18.154  -0.686  -3.161
  604   3HD1  LEU  73          3HD1      LEU  73  16.956   0.053  -2.098
  605   1HD2  LEU  73          1HD2      LEU  73  20.592   2.017  -3.034
  606   2HD2  LEU  73          2HD2      LEU  73  19.810   1.072  -4.303
  607   3HD2  LEU  73          3HD2      LEU  73  20.481   0.263  -2.887
  608    H    ARG  74           H        ARG  74  16.467   3.281  -0.223
  609    HA   ARG  74           HA       ARG  74  15.549   5.890  -0.362
  610   1HB   ARG  74          2HB       ARG  74  16.600   4.200   1.618
  611   2HB   ARG  74          1HB       ARG  74  17.602   5.645   1.657
  612   1HG   ARG  74          2HG       ARG  74  14.982   6.582   1.484
  613   2HG   ARG  74          1HG       ARG  74  14.925   5.240   2.629
  614   1HD   ARG  74          2HD       ARG  74  17.201   7.058   2.979
  615   2HD   ARG  74          1HD       ARG  74  15.624   7.795   3.255
  616    HE   ARG  74           HE       ARG  74  15.851   5.302   4.601
  617   1HH1  ARG  74          2HH1      ARG  74  16.809   8.645   4.766
  618   2HH1  ARG  74          1HH1      ARG  74  16.964   8.652   6.491
  619   1HH2  ARG  74          1HH2      ARG  74  16.051   5.298   6.874
  620   2HH2  ARG  74          2HH2      ARG  74  16.533   6.747   7.691
  621    H    GLY  75           H        GLY  75  18.930   4.759  -0.387
  622   1HA   GLY  75          2HA       GLY  75  20.242   5.984  -2.203
  623   2HA   GLY  75          1HA       GLY  75  19.720   7.431  -1.353
  624    H    GLY  76           HN       GLY  76  22.402   6.884  -1.787
  625   1HA   GLY  76          2HA       GLY  76  23.494   5.707   0.631
  626   2HA   GLY  76          1HA       GLY  76  24.410   6.366  -0.715
  Start of MODEL   16
    1   2H    MET   1          2H        MET   1 -13.964  -1.514   3.129
    2   3H    MET   1          3H        MET   1 -12.412  -2.144   3.364
    3   1H    MET   1          1H        MET   1 -13.768  -3.123   3.615
    4    HA   MET   1           HA       MET   1 -14.195  -3.398   1.407
    5   1HB   MET   1          2HB       MET   1 -13.133  -1.877  -0.322
    6   2HB   MET   1          1HB       MET   1 -14.354  -1.139   0.707
    7   1HG   MET   1          2HG       MET   1 -12.588  -0.164   2.092
    8   2HG   MET   1          1HG       MET   1 -11.373  -0.889   1.039
    9   1HE   MET   1          1HE       MET   1 -10.781   1.577  -1.582
   10   2HE   MET   1          2HE       MET   1 -10.542  -0.065  -0.986
   11   3HE   MET   1          3HE       MET   1 -10.096   1.312   0.021
   12    H    GLN   2           H        GLN   2 -13.033  -4.618  -0.114
   13    HA   GLN   2           HA       GLN   2 -10.365  -5.383   0.821
   14   1HB   GLN   2          2HB       GLN   2 -12.597  -6.778  -0.495
   15   2HB   GLN   2          1HB       GLN   2 -11.005  -7.213  -1.101
   16   1HG   GLN   2          2HG       GLN   2 -11.408  -7.152   1.838
   17   2HG   GLN   2          1HG       GLN   2 -12.130  -8.475   0.924
   18   1HE2  GLN   2          1HE2      GLN   2 -10.774  -9.987   1.886
   19   2HE2  GLN   2          2HE2      GLN   2  -9.103 -10.118   1.470
   20    H    VAL   3           H        VAL   3  -8.614  -5.616  -0.591
   21    HA   VAL   3           HA       VAL   3  -8.886  -4.469  -3.274
   22    HB   VAL   3           HB       VAL   3  -6.834  -3.117  -2.951
   23   1HG1  VAL   3          1HG1      VAL   3  -9.217  -2.526  -1.212
   24   2HG1  VAL   3          2HG1      VAL   3  -8.884  -1.938  -2.840
   25   3HG1  VAL   3          3HG1      VAL   3  -7.912  -1.370  -1.482
   26   1HG2  VAL   3          1HG2      VAL   3  -6.530  -4.612  -0.648
   27   2HG2  VAL   3          2HG2      VAL   3  -6.999  -3.019  -0.053
   28   3HG2  VAL   3          3HG2      VAL   3  -5.590  -3.190  -1.100
   29    H    PHE   4           H        PHE   4  -6.662  -4.648  -4.438
   30    HA   PHE   4           HA       PHE   4  -5.419  -7.222  -3.721
   31   1HB   PHE   4          2HB       PHE   4  -5.735  -6.315  -6.571
   32   2HB   PHE   4          1HB       PHE   4  -5.408  -7.933  -5.962
   33    HD1  PHE   4           HD1      PHE   4  -7.878  -5.755  -7.211
   34    HD2  PHE   4           HD2      PHE   4  -7.294  -8.990  -4.494
   35    HE1  PHE   4           HE1      PHE   4 -10.285  -6.275  -7.319
   36    HE2  PHE   4           HE2      PHE   4  -9.701  -9.516  -4.597
   37    HZ   PHE   4           HZ       PHE   4 -11.199  -8.157  -6.011
   38    H    LEU   5           H        LEU   5  -3.216  -7.506  -4.463
   39    HA   LEU   5           HA       LEU   5  -1.805  -5.040  -5.179
   40   1HB   LEU   5          2HB       LEU   5  -1.841  -5.700  -2.614
   41   2HB   LEU   5          1HB       LEU   5  -0.575  -6.803  -3.117
   42    HG   LEU   5           HG       LEU   5   0.342  -4.523  -4.229
   43   1HD1  LEU   5          1HD1      LEU   5  -0.996  -3.652  -1.674
   44   2HD1  LEU   5          2HD1      LEU   5  -1.551  -3.233  -3.295
   45   3HD1  LEU   5          3HD1      LEU   5   0.021  -2.671  -2.730
   46   1HD2  LEU   5          1HD2      LEU   5   0.764  -5.426  -1.383
   47   2HD2  LEU   5          2HD2      LEU   5   1.835  -4.359  -2.290
   48   3HD2  LEU   5          3HD2      LEU   5   1.612  -6.031  -2.806
   49    H    LYS   6           H        LYS   6   0.036  -5.332  -6.400
   50    HA   LYS   6           HA       LYS   6   0.501  -8.088  -7.322
   51   1HB   LYS   6          2HB       LYS   6  -0.208  -5.992  -8.844
   52   2HB   LYS   6          1HB       LYS   6   1.539  -5.795  -8.892
   53   1HG   LYS   6          2HG       LYS   6   1.480  -7.214 -10.604
   54   2HG   LYS   6          1HG       LYS   6   1.237  -8.470  -9.388
   55   1HD   LYS   6          2HD       LYS   6  -1.301  -7.502  -9.748
   56   2HD   LYS   6          1HD       LYS   6  -0.620  -7.390 -11.373
   57   1HE   LYS   6          2HE       LYS   6   0.231  -9.856 -10.585
   58   2HE   LYS   6          1HE       LYS   6  -1.335  -9.746  -9.782
   59   1HZ   LYS   6          1HZ       LYS   6  -2.442  -9.543 -11.790
   60   2HZ   LYS   6          2HZ       LYS   6  -1.239 -10.677 -12.150
   61   3HZ   LYS   6          3HZ       LYS   6  -1.058  -9.069 -12.639
   62    H    THR   7           H        THR   7   2.491  -8.975  -7.242
   63    HA   THR   7           HA       THR   7   4.566  -7.437  -5.853
   64    HB   THR   7           HB       THR   7   5.609  -9.906  -5.885
   65    HG1  THR   7           HG1      THR   7   3.954 -11.436  -5.734
   66   1HG2  THR   7          1HG2      THR   7   5.426  -9.266  -3.742
   67   2HG2  THR   7          2HG2      THR   7   3.889 -10.132  -3.754
   68   3HG2  THR   7          3HG2      THR   7   3.923  -8.393  -4.041
   69    H    LEU   8           H        LEU   8   6.874  -8.434  -6.494
   70    HA   LEU   8           HA       LEU   8   7.323  -7.539  -9.174
   71   1HB   LEU   8          2HB       LEU   8   9.389  -8.965  -7.543
   72   2HB   LEU   8          1HB       LEU   8   9.597  -7.654  -8.688
   73    HG   LEU   8           HG       LEU   8   8.327  -7.379  -5.963
   74   1HD1  LEU   8          1HD1      LEU   8  10.396  -6.105  -5.435
   75   2HD1  LEU   8          2HD1      LEU   8  11.079  -6.673  -6.958
   76   3HD1  LEU   8          3HD1      LEU   8  10.662  -7.829  -5.695
   77   1HD2  LEU   8          1HD2      LEU   8   7.869  -5.227  -6.441
   78   2HD2  LEU   8          2HD2      LEU   8   7.873  -5.805  -8.108
   79   3HD2  LEU   8          3HD2      LEU   8   9.310  -5.031  -7.439
   80    H    THR   9           H        THR   9   6.516 -10.523  -7.809
   81    HA   THR   9           HA       THR   9   7.718 -12.047 -10.008
   82    HB   THR   9           HB       THR   9   7.532 -13.965  -8.743
   83    HG1  THR   9           HG1      THR   9   5.649 -14.385  -7.892
   84   1HG2  THR   9          1HG2      THR   9   9.007 -12.393  -7.574
   85   2HG2  THR   9          2HG2      THR   9   8.187 -13.466  -6.440
   86   3HG2  THR   9          3HG2      THR   9   7.635 -11.802  -6.636
   87    H    GLY  10           H        GLY  10   4.665 -10.941  -8.761
   88   1HA   GLY  10          2HA       GLY  10   3.029 -10.778 -10.725
   89   2HA   GLY  10          1HA       GLY  10   3.243 -12.520 -10.803
   90    H    LYS  11           H        LYS  11   3.090 -13.419  -8.332
   91    HA   LYS  11           HA       LYS  11   0.643 -13.908  -7.608
   92   1HB   LYS  11          2HB       LYS  11   2.617 -14.583  -6.290
   93   2HB   LYS  11          1HB       LYS  11   2.673 -12.978  -5.573
   94   1HG   LYS  11          2HG       LYS  11   0.398 -13.378  -4.651
   95   2HG   LYS  11          1HG       LYS  11   0.498 -15.033  -5.254
   96   1HD   LYS  11          2HD       LYS  11   1.194 -15.270  -3.060
   97   2HD   LYS  11          1HD       LYS  11   2.727 -15.109  -3.921
   98   1HE   LYS  11          2HE       LYS  11   2.930 -12.822  -3.285
   99   2HE   LYS  11          1HE       LYS  11   1.286 -12.791  -2.650
  100   1HZ   LYS  11          1HZ       LYS  11   2.796 -12.962  -0.833
  101   2HZ   LYS  11          2HZ       LYS  11   3.604 -14.272  -1.535
  102   3HZ   LYS  11          3HZ       LYS  11   2.015 -14.456  -0.984
  103    H    THR  12           H        THR  12  -1.076 -13.100  -6.442
  104    HA   THR  12           HA       THR  12  -1.091 -10.180  -6.042
  105    HB   THR  12           HB       THR  12  -3.452 -11.864  -6.897
  106    HG1  THR  12           HG1      THR  12  -2.062 -11.677  -8.640
  107   1HG2  THR  12          1HG2      THR  12  -4.603 -10.111  -6.103
  108   2HG2  THR  12          2HG2      THR  12  -3.971  -9.226  -7.492
  109   3HG2  THR  12          3HG2      THR  12  -3.150  -9.125  -5.935
  110    H    VAL  13           H        VAL  13  -1.702  -9.472  -4.082
  111    HA   VAL  13           HA       VAL  13  -2.769 -11.462  -2.192
  112    HB   VAL  13           HB       VAL  13  -1.836 -10.080  -0.390
  113   1HG1  VAL  13          1HG1      VAL  13  -0.142 -11.500  -0.620
  114   2HG1  VAL  13          2HG1      VAL  13   0.667 -10.278  -1.601
  115   3HG1  VAL  13          3HG1      VAL  13  -0.319 -11.518  -2.374
  116   1HG2  VAL  13          1HG2      VAL  13  -0.127  -8.481  -2.154
  117   2HG2  VAL  13          2HG2      VAL  13  -0.960  -8.033  -0.665
  118   3HG2  VAL  13          3HG2      VAL  13  -1.835  -8.045  -2.196
  119    H    THR  14           H        THR  14  -4.212 -10.619  -0.498
  120    HA   THR  14           HA       THR  14  -5.889  -8.419  -1.519
  121    HB   THR  14           HB       THR  14  -7.610  -9.769   0.072
  122    HG1  THR  14           HG1      THR  14  -7.275 -12.035  -0.533
  123   1HG2  THR  14          1HG2      THR  14  -7.090 -10.495  -2.812
  124   2HG2  THR  14          2HG2      THR  14  -7.923  -9.030  -2.290
  125   3HG2  THR  14          3HG2      THR  14  -8.621 -10.613  -1.943
  126    H    ILE  15           H        ILE  15  -6.163  -6.727  -0.229
  127    HA   ILE  15           HA       ILE  15  -5.658  -7.046   2.654
  128    HB   ILE  15           HB       ILE  15  -4.892  -4.588   1.083
  129   1HG1  ILE  15          2HG1      ILE  15  -3.572  -6.627   0.417
  130   2HG1  ILE  15          1HG1      ILE  15  -2.610  -5.325   1.111
  131   1HG2  ILE  15          1HG2      ILE  15  -3.458  -4.988   3.523
  132   2HG2  ILE  15          2HG2      ILE  15  -5.190  -5.103   3.834
  133   3HG2  ILE  15          3HG2      ILE  15  -4.528  -3.662   3.065
  134   1HD1  ILE  15          1HD1      ILE  15  -3.332  -6.929   3.270
  135   2HD1  ILE  15          2HD1      ILE  15  -1.751  -6.814   2.498
  136   3HD1  ILE  15          3HD1      ILE  15  -2.901  -8.045   1.974
  137    H    GLU  16           H        GLU  16  -7.045  -5.990   4.016
  138    HA   GLU  16           HA       GLU  16  -9.372  -4.750   2.745
  139   1HB   GLU  16          2HB       GLU  16 -10.535  -5.167   4.842
  140   2HB   GLU  16          1HB       GLU  16  -9.783  -6.645   4.255
  141   1HG   GLU  16          2HG       GLU  16  -7.983  -5.245   5.994
  142   2HG   GLU  16          1HG       GLU  16  -9.540  -5.486   6.786
  143    H    VAL  17           H        VAL  17  -9.801  -2.655   2.916
  144    HA   VAL  17           HA       VAL  17  -8.603  -1.094   5.081
  145    HB   VAL  17           HB       VAL  17  -7.899   0.684   3.556
  146   1HG1  VAL  17          1HG1      VAL  17  -6.758  -2.059   3.179
  147   2HG1  VAL  17          2HG1      VAL  17  -6.122  -0.706   4.115
  148   3HG1  VAL  17          3HG1      VAL  17  -6.059  -0.666   2.353
  149   1HG2  VAL  17          1HG2      VAL  17  -7.902  -0.827   1.098
  150   2HG2  VAL  17          2HG2      VAL  17  -8.522   0.792   1.423
  151   3HG2  VAL  17          3HG2      VAL  17  -9.541  -0.616   1.716
  152    H    GLU  18           H        GLU  18  -9.490   1.266   4.917
  153    HA   GLU  18           HA       GLU  18 -12.303   1.182   4.056
  154   1HB   GLU  18          2HB       GLU  18 -11.178   1.991   6.719
  155   2HB   GLU  18          1HB       GLU  18 -12.700   2.662   6.149
  156   1HG   GLU  18          2HG       GLU  18 -12.164  -0.288   6.370
  157   2HG   GLU  18          1HG       GLU  18 -12.894   0.673   7.656
  158    HA   PRO  19           HA       PRO  19 -11.419   4.845   1.749
  159   1HB   PRO  19          2HB       PRO  19 -14.178   5.557   2.655
  160   2HB   PRO  19          1HB       PRO  19 -13.479   5.608   1.032
  161   1HG   PRO  19          2HG       PRO  19 -15.124   3.637   1.740
  162   2HG   PRO  19          1HG       PRO  19 -13.708   3.319   0.720
  163   1HD   PRO  19          2HD       PRO  19 -14.147   2.700   3.599
  164   2HD   PRO  19          1HD       PRO  19 -13.202   1.818   2.385
  165    H    SER  20           H        SER  20  -9.886   5.659   3.253
  166    HA   SER  20           HA       SER  20  -9.996   8.148   4.112
  167   1HB   SER  20          2HB       SER  20 -10.585   7.829   6.667
  168   2HB   SER  20          1HB       SER  20 -11.855   8.125   5.479
  169    HG   SER  20           HG       SER  20 -12.342   6.361   6.865
  170    H    ASP  21           H        ASP  21  -8.617   5.143   4.292
  171    HA   ASP  21           HA       ASP  21  -6.850   5.496   6.496
  172   1HB   ASP  21          2HB       ASP  21  -7.137   3.562   4.254
  173   2HB   ASP  21          1HB       ASP  21  -5.560   3.668   5.029
  174    H    THR  22           H        THR  22  -4.426   5.472   6.146
  175    HA   THR  22           HA       THR  22  -3.746   7.517   4.141
  176    HB   THR  22           HB       THR  22  -1.677   7.820   5.648
  177    HG1  THR  22           HG1      THR  22  -1.710   6.882   7.578
  178   1HG2  THR  22          1HG2      THR  22  -3.346   8.999   7.412
  179   2HG2  THR  22          2HG2      THR  22  -4.453   8.728   6.067
  180   3HG2  THR  22          3HG2      THR  22  -2.979   9.664   5.820
  181    H    VAL  23           H        VAL  23  -2.116   7.198   2.712
  182    HA   VAL  23           HA       VAL  23  -1.435   4.762   1.747
  183    HB   VAL  23           HB       VAL  23   0.405   7.159   1.807
  184   1HG1  VAL  23          1HG1      VAL  23   0.471   4.576   0.302
  185   2HG1  VAL  23          2HG1      VAL  23   1.781   5.434   1.112
  186   3HG1  VAL  23          3HG1      VAL  23   1.144   6.038  -0.417
  187   1HG2  VAL  23          1HG2      VAL  23  -1.713   7.760   0.849
  188   2HG2  VAL  23          2HG2      VAL  23  -1.719   6.312  -0.158
  189   3HG2  VAL  23          3HG2      VAL  23  -0.539   7.587  -0.455
  190    H    GLU  24           H        GLU  24   0.298   6.527   4.285
  191    HA   GLU  24           HA       GLU  24   2.474   4.846   4.620
  192   1HB   GLU  24          2HB       GLU  24   2.317   6.973   5.774
  193   2HB   GLU  24          1HB       GLU  24   0.937   6.404   6.704
  194   1HG   GLU  24          2HG       GLU  24   2.266   5.567   8.257
  195   2HG   GLU  24          1HG       GLU  24   3.133   4.607   7.058
  196    H    ASN  25           H        ASN  25  -0.667   4.698   6.289
  197    HA   ASN  25           HA       ASN  25  -0.212   2.458   7.848
  198   1HB   ASN  25          2HB       ASN  25  -2.522   3.957   6.928
  199   2HB   ASN  25          1HB       ASN  25  -2.880   2.237   7.056
  200   1HD2  ASN  25          1HD2      ASN  25  -1.534   4.972   8.826
  201   2HD2  ASN  25          2HD2      ASN  25  -2.004   4.419  10.393
  202    H    PHE  26           H        PHE  26  -1.517   2.616   4.543
  203    HA   PHE  26           HA       PHE  26  -1.998  -0.072   4.118
  204   1HB   PHE  26          2HB       PHE  26  -2.540   1.820   2.548
  205   2HB   PHE  26          1HB       PHE  26  -0.851   1.812   2.049
  206    HD1  PHE  26           HD1      PHE  26  -2.806  -1.211   2.843
  207    HD2  PHE  26           HD2      PHE  26  -1.192   1.262  -0.233
  208    HE1  PHE  26           HE1      PHE  26  -3.309  -2.960   1.180
  209    HE2  PHE  26           HE2      PHE  26  -1.693  -0.483  -1.902
  210    HZ   PHE  26           HZ       PHE  26  -2.753  -2.596  -1.196
  211    H    LYS  27           H        LYS  27   1.039   1.706   3.895
  212    HA   LYS  27           HA       LYS  27   2.570  -0.447   2.849
  213   1HB   LYS  27          2HB       LYS  27   3.443   2.005   4.387
  214   2HB   LYS  27          1HB       LYS  27   4.527   0.909   3.543
  215   1HG   LYS  27          2HG       LYS  27   3.895   1.652   1.473
  216   2HG   LYS  27          1HG       LYS  27   2.301   2.171   2.025
  217   1HD   LYS  27          2HD       LYS  27   3.084   4.248   2.165
  218   2HD   LYS  27          1HD       LYS  27   4.155   3.711   3.460
  219   1HE   LYS  27          2HE       LYS  27   5.244   2.943   0.924
  220   2HE   LYS  27          1HE       LYS  27   4.862   4.664   0.907
  221   1HZ   LYS  27          1HZ       LYS  27   6.050   4.292   3.323
  222   2HZ   LYS  27          2HZ       LYS  27   6.800   4.918   1.942
  223   3HZ   LYS  27          3HZ       LYS  27   6.940   3.272   2.306
  224    H    ALA  28           H        ALA  28   1.763   0.641   6.087
  225    HA   ALA  28           HA       ALA  28   3.611  -0.907   7.528
  226   1HB   ALA  28          1HB       ALA  28   0.849  -0.167   8.469
  227   2HB   ALA  28          2HB       ALA  28   2.198   0.969   8.425
  228   3HB   ALA  28          3HB       ALA  28   2.284  -0.464   9.450
  229    H    LYS  29           H        LYS  29   0.423  -1.647   6.234
  230    HA   LYS  29           HA       LYS  29   0.160  -4.172   7.523
  231   1HB   LYS  29          2HB       LYS  29  -1.187  -3.278   4.972
  232   2HB   LYS  29          1HB       LYS  29  -1.736  -4.524   6.086
  233   1HG   LYS  29          2HG       LYS  29  -2.039  -2.782   7.817
  234   2HG   LYS  29          1HG       LYS  29  -1.605  -1.564   6.616
  235   1HD   LYS  29          2HD       LYS  29  -3.516  -2.047   5.300
  236   2HD   LYS  29          1HD       LYS  29  -3.860  -3.516   6.216
  237   1HE   LYS  29          2HE       LYS  29  -5.373  -2.124   7.190
  238   2HE   LYS  29          1HE       LYS  29  -3.982  -1.792   8.222
  239   1HZ   LYS  29          1HZ       LYS  29  -5.336   0.145   7.168
  240   2HZ   LYS  29          2HZ       LYS  29  -4.379  -0.168   5.810
  241   3HZ   LYS  29          3HZ       LYS  29  -3.651   0.248   7.278
  242    H    ILE  30           H        ILE  30   0.963  -3.263   4.168
  243    HA   ILE  30           HA       ILE  30   1.449  -5.811   3.177
  244    HB   ILE  30           HB       ILE  30   2.890  -3.270   2.407
  245   1HG1  ILE  30          2HG1      ILE  30   0.639  -4.386   0.812
  246   2HG1  ILE  30          1HG1      ILE  30   0.231  -3.572   2.320
  247   1HG2  ILE  30          1HG2      ILE  30   2.747  -4.734   0.148
  248   2HG2  ILE  30          2HG2      ILE  30   2.907  -6.017   1.348
  249   3HG2  ILE  30          3HG2      ILE  30   4.129  -4.749   1.243
  250   1HD1  ILE  30          1HD1      ILE  30   1.803  -1.705   1.349
  251   2HD1  ILE  30          2HD1      ILE  30   0.111  -1.829   0.866
  252   3HD1  ILE  30          3HD1      ILE  30   1.377  -2.469  -0.183
  253    H    GLN  31           H        GLN  31   3.654  -3.578   4.818
  254    HA   GLN  31           HA       GLN  31   6.059  -4.838   4.531
  255   1HB   GLN  31          2HB       GLN  31   6.039  -2.788   5.696
  256   2HB   GLN  31          1HB       GLN  31   4.878  -3.375   6.880
  257   1HG   GLN  31          2HG       GLN  31   6.669  -4.998   7.629
  258   2HG   GLN  31          1HG       GLN  31   7.789  -4.060   6.639
  259   1HE2  GLN  31          1HE2      GLN  31   8.917  -3.654   8.627
  260   2HE2  GLN  31          2HE2      GLN  31   8.375  -2.399   9.683
  261    H    ASP  32           H        ASP  32   4.023  -5.340   7.420
  262    HA   ASP  32           HA       ASP  32   5.327  -7.473   8.509
  263   1HB   ASP  32          2HB       ASP  32   3.113  -6.166   9.196
  264   2HB   ASP  32          1HB       ASP  32   2.351  -7.601   8.515
  265    H    LYS  33           H        LYS  33   3.183  -7.487   5.746
  266    HA   LYS  33           HA       LYS  33   2.748 -10.271   5.603
  267   1HB   LYS  33          2HB       LYS  33   2.794  -8.310   3.306
  268   2HB   LYS  33          1HB       LYS  33   1.991  -9.873   3.340
  269   1HG   LYS  33          2HG       LYS  33   0.965  -8.494   5.530
  270   2HG   LYS  33          1HG       LYS  33   1.048  -7.304   4.229
  271   1HD   LYS  33          2HD       LYS  33  -1.096  -8.403   4.160
  272   2HD   LYS  33          1HD       LYS  33  -0.149  -8.897   2.756
  273   1HE   LYS  33          2HE       LYS  33   0.047 -10.570   5.196
  274   2HE   LYS  33          1HE       LYS  33  -1.463 -10.637   4.289
  275   1HZ   LYS  33          1HZ       LYS  33   0.494 -10.821   2.387
  276   2HZ   LYS  33          2HZ       LYS  33  -0.443 -12.096   2.984
  277   3HZ   LYS  33          3HZ       LYS  33   1.075 -11.776   3.659
  278    H    GLU  34           H        GLU  34   4.658  -8.440   3.226
  279    HA   GLU  34           HA       GLU  34   6.417 -10.769   2.959
  280   1HB   GLU  34          2HB       GLU  34   6.259  -8.352   1.160
  281   2HB   GLU  34          1HB       GLU  34   7.054  -9.882   0.818
  282   1HG   GLU  34          2HG       GLU  34   4.365 -10.470   1.419
  283   2HG   GLU  34          1HG       GLU  34   4.364  -9.099   0.310
  284    H    GLY  35           H        GLY  35   6.645  -8.880   5.189
  285   1HA   GLY  35          2HA       GLY  35   8.191  -7.491   6.218
  286   2HA   GLY  35          1HA       GLY  35   9.289  -8.735   5.641
  287    H    ILE  36           H        ILE  36   7.719  -5.703   4.660
  288    HA   ILE  36           HA       ILE  36  10.197  -4.989   3.249
  289    HB   ILE  36           HB       ILE  36   7.501  -4.249   2.142
  290   1HG1  ILE  36          2HG1      ILE  36   7.939  -6.789   2.289
  291   2HG1  ILE  36          1HG1      ILE  36   7.480  -6.122   0.726
  292   1HG2  ILE  36          1HG2      ILE  36   9.257  -4.355   0.072
  293   2HG2  ILE  36          2HG2      ILE  36  10.309  -3.851   1.395
  294   3HG2  ILE  36          3HG2      ILE  36   8.880  -2.900   0.994
  295   1HD1  ILE  36          1HD1      ILE  36   9.337  -6.876  -0.200
  296   2HD1  ILE  36          2HD1      ILE  36   9.693  -7.704   1.315
  297   3HD1  ILE  36          3HD1      ILE  36  10.332  -6.087   1.023
  298    HA   PRO  37           HA       PRO  37   9.661  -1.485   5.999
  299   1HB   PRO  37          2HB       PRO  37  11.973  -0.457   4.471
  300   2HB   PRO  37          1HB       PRO  37  11.801  -0.720   6.208
  301   1HG   PRO  37          2HG       PRO  37  13.327  -2.324   4.702
  302   2HG   PRO  37          1HG       PRO  37  12.377  -2.956   6.060
  303   1HD   PRO  37          2HD       PRO  37  11.805  -3.082   3.123
  304   2HD   PRO  37          1HD       PRO  37  11.573  -4.325   4.370
  305    HA   PRO  38           HA       PRO  38   7.199   1.203   3.473
  306   1HB   PRO  38          2HB       PRO  38   8.146   3.242   5.435
  307   2HB   PRO  38          1HB       PRO  38   6.502   2.869   4.906
  308   1HG   PRO  38          2HG       PRO  38   7.379   2.058   7.286
  309   2HG   PRO  38          1HG       PRO  38   6.333   1.019   6.300
  310   1HD   PRO  38          2HD       PRO  38   9.267   0.831   6.800
  311   2HD   PRO  38          1HD       PRO  38   8.075  -0.463   6.566
  312    H    ASP  39           H        ASP  39  10.316   2.430   4.670
  313    HA   ASP  39           HA       ASP  39  10.685   4.440   2.762
  314   1HB   ASP  39          2HB       ASP  39  12.036   3.842   4.932
  315   2HB   ASP  39          1HB       ASP  39  13.022   2.892   3.824
  316    H    GLN  40           H        GLN  40  10.705   1.073   2.395
  317    HA   GLN  40           HA       GLN  40  11.984   1.337  -0.244
  318   1HB   GLN  40          2HB       GLN  40  13.125  -0.070   1.691
  319   2HB   GLN  40          1HB       GLN  40  11.974  -1.292   1.167
  320   1HG   GLN  40          2HG       GLN  40  12.974  -1.563  -0.872
  321   2HG   GLN  40          1HG       GLN  40  13.647   0.067  -0.881
  322   1HE2  GLN  40          1HE2      GLN  40  15.600   0.457   0.099
  323   2HE2  GLN  40          2HE2      GLN  40  16.644  -0.802   0.655
  324    H    GLN  41           H        GLN  41   9.260   1.770   0.142
  325    HA   GLN  41           HA       GLN  41   8.145  -0.526  -1.310
  326   1HB   GLN  41          2HB       GLN  41   7.048   0.805   1.141
  327   2HB   GLN  41          1HB       GLN  41   5.946   0.108  -0.038
  328   1HG   GLN  41          2HG       GLN  41   7.442  -2.003   0.213
  329   2HG   GLN  41          1HG       GLN  41   7.928  -1.245   1.728
  330   1HE2  GLN  41          1HE2      GLN  41   6.622  -1.388   3.447
  331   2HE2  GLN  41          2HE2      GLN  41   5.050  -2.104   3.436
  332    H    ARG  42           H        ARG  42   7.500   0.148  -3.239
  333    HA   ARG  42           HA       ARG  42   6.575   2.928  -3.524
  334   1HB   ARG  42          2HB       ARG  42   8.474   1.418  -4.993
  335   2HB   ARG  42          1HB       ARG  42   7.100   1.699  -6.055
  336   1HG   ARG  42          2HG       ARG  42   8.722   3.454  -6.335
  337   2HG   ARG  42          1HG       ARG  42   7.262   4.110  -5.588
  338   1HD   ARG  42          2HD       ARG  42   9.142   3.177  -3.601
  339   2HD   ARG  42          1HD       ARG  42   9.875   4.372  -4.671
  340    HE   ARG  42           HE       ARG  42   7.450   5.436  -3.971
  341   1HH1  ARG  42          2HH1      ARG  42  10.262   4.308  -2.253
  342   2HH1  ARG  42          1HH1      ARG  42  10.048   5.400  -0.925
  343   1HH2  ARG  42          1HH2      ARG  42   7.158   6.874  -2.227
  344   2HH2  ARG  42          2HH2      ARG  42   8.283   6.859  -0.911
  345    H    LEU  43           H        LEU  43   4.423   3.020  -3.492
  346    HA   LEU  43           HA       LEU  43   2.884   0.875  -4.774
  347   1HB   LEU  43          2HB       LEU  43   1.976   3.054  -2.890
  348   2HB   LEU  43          1HB       LEU  43   0.960   1.781  -3.540
  349    HG   LEU  43           HG       LEU  43   3.040   1.640  -1.412
  350   1HD1  LEU  43          1HD1      LEU  43   0.682   1.789  -0.820
  351   2HD1  LEU  43          2HD1      LEU  43   1.354   0.227  -0.350
  352   3HD1  LEU  43          3HD1      LEU  43   0.339   0.354  -1.786
  353   1HD2  LEU  43          1HD2      LEU  43   2.368  -0.556  -3.347
  354   2HD2  LEU  43          2HD2      LEU  43   2.931  -0.892  -1.709
  355   3HD2  LEU  43          3HD2      LEU  43   3.956   0.010  -2.826
  356    H    ILE  44           H        ILE  44   2.558   1.305  -6.869
  357    HA   ILE  44           HA       ILE  44   1.999   4.062  -7.694
  358    HB   ILE  44           HB       ILE  44   2.388   1.753  -9.574
  359   1HG1  ILE  44          2HG1      ILE  44   4.317   1.719  -8.093
  360   2HG1  ILE  44          1HG1      ILE  44   4.790   2.358  -9.664
  361   1HG2  ILE  44          1HG2      ILE  44   1.840   4.495  -9.878
  362   2HG2  ILE  44          2HG2      ILE  44   2.202   3.314 -11.138
  363   3HG2  ILE  44          3HG2      ILE  44   3.506   4.249 -10.404
  364   1HD1  ILE  44          1HD1      ILE  44   5.586   4.174  -8.698
  365   2HD1  ILE  44          2HD1      ILE  44   5.142   3.518  -7.122
  366   3HD1  ILE  44          3HD1      ILE  44   4.002   4.529  -8.010
  367    H    PHE  45           H        PHE  45  -0.035   4.668  -7.971
  368    HA   PHE  45           HA       PHE  45  -1.993   2.687  -8.916
  369   1HB   PHE  45          2HB       PHE  45  -2.211   3.129  -6.444
  370   2HB   PHE  45          1HB       PHE  45  -2.591   4.802  -6.840
  371    HD1  PHE  45           HD1      PHE  45  -3.689   1.359  -7.789
  372    HD2  PHE  45           HD2      PHE  45  -4.802   5.390  -6.956
  373    HE1  PHE  45           HE1      PHE  45  -6.064   0.754  -8.057
  374    HE2  PHE  45           HE2      PHE  45  -7.180   4.793  -7.222
  375    HZ   PHE  45           HZ       PHE  45  -7.811   2.472  -7.773
  376    H    ALA  46           H        ALA  46  -3.306   3.370 -10.522
  377    HA   ALA  46           HA       ALA  46  -3.808   4.663 -12.362
  378   1HB   ALA  46          1HB       ALA  46  -5.340   6.352 -11.830
  379   2HB   ALA  46          2HB       ALA  46  -4.520   6.743 -10.318
  380   3HB   ALA  46          3HB       ALA  46  -5.427   5.237 -10.467
  381    H    GLY  47           H        GLY  47  -1.160   4.800 -12.232
  382   1HA   GLY  47          2HA       GLY  47   0.687   6.076 -12.731
  383   2HA   GLY  47          1HA       GLY  47  -0.462   7.136 -13.535
  384    H    LYS  48           H        LYS  48   0.084   6.348 -10.108
  385    HA   LYS  48           HA       LYS  48   1.047   9.021  -9.567
  386   1HB   LYS  48          2HB       LYS  48  -1.560   8.981  -9.573
  387   2HB   LYS  48          1HB       LYS  48  -1.381   8.158  -8.029
  388   1HG   LYS  48          2HG       LYS  48  -1.543  10.307  -7.309
  389   2HG   LYS  48          1HG       LYS  48   0.206  10.195  -7.513
  390   1HD   LYS  48          2HD       LYS  48  -0.110  12.107  -8.685
  391   2HD   LYS  48          1HD       LYS  48  -0.478  10.973  -9.987
  392   1HE   LYS  48          2HE       LYS  48  -2.906  11.128  -9.001
  393   2HE   LYS  48          1HE       LYS  48  -2.317  12.657  -8.351
  394   1HZ   LYS  48          1HZ       LYS  48  -2.198  11.898 -11.218
  395   2HZ   LYS  48          2HZ       LYS  48  -1.792  13.398 -10.553
  396   3HZ   LYS  48          3HZ       LYS  48  -3.400  12.874 -10.537
  397    H    GLN  49           H        GLN  49   2.813   8.492  -8.439
  398    HA   GLN  49           HA       GLN  49   3.094   6.163  -6.879
  399   1HB   GLN  49          2HB       GLN  49   4.792   8.106  -7.851
  400   2HB   GLN  49          1HB       GLN  49   4.846   8.379  -6.115
  401   1HG   GLN  49          2HG       GLN  49   6.220   6.672  -5.863
  402   2HG   GLN  49          1HG       GLN  49   5.040   5.585  -6.592
  403   1HE2  GLN  49          1HE2      GLN  49   8.022   5.806  -6.764
  404   2HE2  GLN  49          2HE2      GLN  49   8.360   5.837  -8.458
  405    H    LEU  50           H        LEU  50   1.468   5.991  -5.359
  406    HA   LEU  50           HA       LEU  50   0.411   7.867  -3.688
  407   1HB   LEU  50          2HB       LEU  50   1.096   5.005  -3.011
  408   2HB   LEU  50          1HB       LEU  50   0.026   6.023  -2.065
  409    HG   LEU  50           HG       LEU  50  -0.800   5.943  -4.839
  410   1HD1  LEU  50          1HD1      LEU  50  -1.585   3.390  -3.991
  411   2HD1  LEU  50          2HD1      LEU  50   0.160   3.473  -3.747
  412   3HD1  LEU  50          3HD1      LEU  50  -0.525   3.801  -5.339
  413   1HD2  LEU  50          1HD2      LEU  50  -2.793   6.147  -3.868
  414   2HD2  LEU  50          2HD2      LEU  50  -1.924   6.280  -2.340
  415   3HD2  LEU  50          3HD2      LEU  50  -2.541   4.715  -2.870
  416    H    GLU  51           H        GLU  51   1.099   9.103  -2.065
  417    HA   GLU  51           HA       GLU  51   3.754   8.534  -0.921
  418   1HB   GLU  51          2HB       GLU  51   2.337  11.201  -1.054
  419   2HB   GLU  51          1HB       GLU  51   3.986  10.911  -0.517
  420   1HG   GLU  51          2HG       GLU  51   2.973  10.417  -3.307
  421   2HG   GLU  51          1HG       GLU  51   3.849  11.857  -2.785
  422    H    ASP  52           H        ASP  52   4.052   8.667   1.305
  423    HA   ASP  52           HA       ASP  52   1.852   7.929   2.916
  424   1HB   ASP  52          2HB       ASP  52   4.628   8.850   3.683
  425   2HB   ASP  52          1HB       ASP  52   3.461   8.167   4.811
  426    H    GLY  53           H        GLY  53   0.819  10.094   1.900
  427   1HA   GLY  53          2HA       GLY  53   0.637  11.912   4.171
  428   2HA   GLY  53          1HA       GLY  53   1.096  12.611   2.626
  429    H    ARG  54           H        ARG  54  -0.674  10.661   1.175
  430    HA   ARG  54           HA       ARG  54  -3.161  12.145   1.610
  431   1HB   ARG  54          2HB       ARG  54  -2.091  10.568  -0.726
  432   2HB   ARG  54          1HB       ARG  54  -3.765  11.102  -0.644
  433   1HG   ARG  54          2HG       ARG  54  -1.847  13.235  -0.123
  434   2HG   ARG  54          1HG       ARG  54  -1.686  12.512  -1.725
  435   1HD   ARG  54          2HD       ARG  54  -3.478  13.610  -2.433
  436   2HD   ARG  54          1HD       ARG  54  -4.454  12.882  -1.158
  437    HE   ARG  54           HE       ARG  54  -4.341  14.852  -0.002
  438   1HH1  ARG  54          2HH1      ARG  54  -1.858  14.824  -2.443
  439   2HH1  ARG  54          1HH1      ARG  54  -1.403  16.476  -2.183
  440   1HH2  ARG  54          1HH2      ARG  54  -3.751  17.027   0.348
  441   2HH2  ARG  54          2HH2      ARG  54  -2.480  17.728  -0.596
  442    H    THR  55           H        THR  55  -5.147  10.709   0.847
  443    HA   THR  55           HA       THR  55  -5.009   8.202   2.395
  444    HB   THR  55           HB       THR  55  -7.132   8.540   3.262
  445    HG1  THR  55           HG1      THR  55  -8.694   9.389   2.102
  446   1HG2  THR  55          1HG2      THR  55  -5.853  10.135   4.393
  447   2HG2  THR  55          2HG2      THR  55  -7.266  11.047   3.861
  448   3HG2  THR  55          3HG2      THR  55  -5.743  11.186   2.982
  449    H    LEU  56           H        LEU  56  -6.404   6.468   1.701
  450    HA   LEU  56           HA       LEU  56  -6.205   5.757  -0.931
  451   1HB   LEU  56          2HB       LEU  56  -8.641   4.890   0.553
  452   2HB   LEU  56          1HB       LEU  56  -7.557   3.949  -0.453
  453    HG   LEU  56           HG       LEU  56  -7.172   4.797   2.405
  454   1HD1  LEU  56          1HD1      LEU  56  -7.089   2.127   1.007
  455   2HD1  LEU  56          2HD1      LEU  56  -8.396   2.732   2.027
  456   3HD1  LEU  56          3HD1      LEU  56  -6.813   2.396   2.728
  457   1HD2  LEU  56          1HD2      LEU  56  -5.139   4.207   0.341
  458   2HD2  LEU  56          2HD2      LEU  56  -4.925   3.440   1.915
  459   3HD2  LEU  56          3HD2      LEU  56  -5.028   5.197   1.797
  460    H    SER  57           H        SER  57  -9.016   7.255   0.634
  461    HA   SER  57           HA       SER  57 -10.689   7.390  -1.586
  462   1HB   SER  57          2HB       SER  57 -12.058   8.739  -0.304
  463   2HB   SER  57          1HB       SER  57 -11.069   8.002   0.958
  464    HG   SER  57           HG       SER  57 -11.368  10.429   0.874
  465    H    ASP  58           H        ASP  58  -8.031   9.457  -0.618
  466    HA   ASP  58           HA       ASP  58  -8.577  11.628  -2.335
  467   1HB   ASP  58          2HB       ASP  58  -5.984  10.636  -1.142
  468   2HB   ASP  58          1HB       ASP  58  -6.125  12.137  -2.052
  469    H    TYR  59           H        TYR  59  -7.204   8.500  -2.885
  470    HA   TYR  59           HA       TYR  59  -6.259   9.288  -5.544
  471   1HB   TYR  59          2HB       TYR  59  -5.833   6.800  -3.887
  472   2HB   TYR  59          1HB       TYR  59  -5.323   6.928  -5.567
  473    HD1  TYR  59           HD1      TYR  59  -3.612   8.666  -6.194
  474    HD2  TYR  59           HD2      TYR  59  -4.535   7.732  -2.139
  475    HE1  TYR  59           HE1      TYR  59  -1.499   9.712  -5.478
  476    HE2  TYR  59           HE2      TYR  59  -2.426   8.776  -1.411
  477    HH   TYR  59           HH       TYR  59  -0.477  10.663  -3.541
  478    H    ASN  60           H        ASN  60  -8.987   8.039  -4.074
  479    HA   ASN  60           HA       ASN  60 -10.969   7.354  -4.999
  480   1HB   ASN  60          2HB       ASN  60  -9.616   8.344  -7.220
  481   2HB   ASN  60          1HB       ASN  60 -10.071   6.709  -7.692
  482   1HD2  ASN  60          1HD2      ASN  60 -11.083   9.021  -8.886
  483   2HD2  ASN  60          2HD2      ASN  60 -12.776   9.112  -8.554
  484    H    ILE  61           H        ILE  61  -9.359   5.610  -3.639
  485    HA   ILE  61           HA       ILE  61  -9.077   3.161  -5.160
  486    HB   ILE  61           HB       ILE  61  -8.690   3.665  -2.206
  487   1HG1  ILE  61          2HG1      ILE  61  -6.740   3.560  -4.515
  488   2HG1  ILE  61          1HG1      ILE  61  -7.099   4.948  -3.492
  489   1HG2  ILE  61          1HG2      ILE  61  -9.200   1.289  -2.996
  490   2HG2  ILE  61          2HG2      ILE  61  -7.748   1.531  -2.024
  491   3HG2  ILE  61          3HG2      ILE  61  -7.618   1.341  -3.772
  492   1HD1  ILE  61          1HD1      ILE  61  -5.820   2.402  -2.532
  493   2HD1  ILE  61          2HD1      ILE  61  -6.072   3.879  -1.603
  494   3HD1  ILE  61          3HD1      ILE  61  -4.950   3.874  -2.964
  495    H    GLN  62           H        GLN  62 -10.674   1.754  -5.455
  496    HA   GLN  62           HA       GLN  62 -13.016   1.884  -3.701
  497   1HB   GLN  62          2HB       GLN  62 -12.553   1.044  -6.516
  498   2HB   GLN  62          1HB       GLN  62 -13.831   0.225  -5.629
  499   1HG   GLN  62          2HG       GLN  62 -13.600   3.131  -6.318
  500   2HG   GLN  62          1HG       GLN  62 -14.883   1.995  -6.733
  501   1HE2  GLN  62          1HE2      GLN  62 -15.131   4.565  -5.459
  502   2HE2  GLN  62          2HE2      GLN  62 -15.859   4.291  -3.916
  503    H    LYS  63           H        LYS  63 -14.155  -0.461  -3.732
  504    HA   LYS  63           HA       LYS  63 -12.407  -2.098  -2.145
  505   1HB   LYS  63          2HB       LYS  63 -14.434  -3.562  -1.937
  506   2HB   LYS  63          1HB       LYS  63 -14.670  -1.901  -1.410
  507   1HG   LYS  63          2HG       LYS  63 -16.282  -1.559  -2.897
  508   2HG   LYS  63          1HG       LYS  63 -15.328  -2.256  -4.209
  509   1HD   LYS  63          2HD       LYS  63 -16.561  -4.103  -4.154
  510   2HD   LYS  63          1HD       LYS  63 -16.145  -4.352  -2.458
  511   1HE   LYS  63          2HE       LYS  63 -18.495  -4.244  -2.518
  512   2HE   LYS  63          1HE       LYS  63 -17.968  -2.673  -1.915
  513   1HZ   LYS  63          1HZ       LYS  63 -19.707  -2.455  -3.582
  514   2HZ   LYS  63          2HZ       LYS  63 -18.753  -3.266  -4.718
  515   3HZ   LYS  63          3HZ       LYS  63 -18.265  -1.759  -4.128
  516    H    GLU  64           H        GLU  64 -12.558  -1.783  -5.359
  517    HA   GLU  64           HA       GLU  64 -11.834  -4.597  -5.787
  518   1HB   GLU  64          2HB       GLU  64 -13.693  -2.894  -7.431
  519   2HB   GLU  64          1HB       GLU  64 -12.847  -4.266  -8.136
  520   1HG   GLU  64          2HG       GLU  64 -14.217  -4.881  -5.632
  521   2HG   GLU  64          1HG       GLU  64 -15.289  -4.359  -6.931
  522    H    SER  65           H        SER  65 -10.479  -1.848  -5.468
  523    HA   SER  65           HA       SER  65  -9.149  -1.489  -8.008
  524   1HB   SER  65          2HB       SER  65  -8.764  -0.194  -5.303
  525   2HB   SER  65          1HB       SER  65  -7.812   0.223  -6.727
  526    HG   SER  65           HG       SER  65  -9.441   1.323  -7.478
  527    H    THR  66           H        THR  66  -6.867  -1.704  -8.320
  528    HA   THR  66           HA       THR  66  -5.579  -3.602  -6.473
  529    HB   THR  66           HB       THR  66  -5.186  -3.665  -9.462
  530    HG1  THR  66           HG1      THR  66  -6.542  -5.662  -9.168
  531   1HG2  THR  66          1HG2      THR  66  -4.577  -6.116  -8.656
  532   2HG2  THR  66          2HG2      THR  66  -4.257  -5.275  -7.139
  533   3HG2  THR  66          3HG2      THR  66  -3.395  -4.807  -8.605
  534    H    ILE  67           H        ILE  67  -3.644  -3.001  -5.763
  535    HA   ILE  67           HA       ILE  67  -2.292  -0.767  -7.123
  536    HB   ILE  67           HB       ILE  67  -2.003  -1.702  -4.265
  537   1HG1  ILE  67          2HG1      ILE  67  -2.943   1.008  -4.635
  538   2HG1  ILE  67          1HG1      ILE  67  -4.007  -0.134  -5.452
  539   1HG2  ILE  67          1HG2      ILE  67  -0.719   0.553  -5.785
  540   2HG2  ILE  67          2HG2      ILE  67   0.071  -0.787  -4.952
  541   3HG2  ILE  67          3HG2      ILE  67  -0.751   0.467  -4.023
  542   1HD1  ILE  67          1HD1      ILE  67  -3.391   0.136  -2.552
  543   2HD1  ILE  67          2HD1      ILE  67  -3.905  -1.422  -3.200
  544   3HD1  ILE  67          3HD1      ILE  67  -4.948  -0.009  -3.366
  545    H    HIS  68           H        HIS  68   0.057  -0.798  -7.182
  546    HA   HIS  68           HA       HIS  68   1.151  -3.534  -7.206
  547   1HB   HIS  68          2HB       HIS  68   1.923  -1.294  -9.083
  548   2HB   HIS  68          1HB       HIS  68   2.487  -2.960  -9.140
  549    HD1  HIS  68           HD1      HIS  68   1.338  -4.316 -10.845
  550    HD2  HIS  68           HD2      HIS  68  -1.094  -1.265  -9.416
  551    HE1  HIS  68           HE1      HIS  68  -0.806  -4.500 -12.147
  552    HE2  HIS  68           HE2      HIS  68  -2.227  -2.586 -11.329
  553    H    LEU  69           H        LEU  69   3.118  -3.865  -6.298
  554    HA   LEU  69           HA       LEU  69   4.302  -1.585  -4.881
  555   1HB   LEU  69          2HB       LEU  69   3.703  -3.406  -3.437
  556   2HB   LEU  69          1HB       LEU  69   4.528  -4.563  -4.464
  557    HG   LEU  69           HG       LEU  69   6.617  -3.007  -3.857
  558   1HD1  LEU  69          1HD1      LEU  69   6.418  -1.731  -2.041
  559   2HD1  LEU  69          2HD1      LEU  69   5.521  -2.972  -1.164
  560   3HD1  LEU  69          3HD1      LEU  69   4.675  -1.885  -2.266
  561   1HD2  LEU  69          1HD2      LEU  69   7.007  -4.610  -1.924
  562   2HD2  LEU  69          2HD2      LEU  69   6.712  -5.332  -3.506
  563   3HD2  LEU  69          3HD2      LEU  69   5.422  -5.285  -2.303
  564    H    VAL  70           H        VAL  70   6.445  -1.027  -5.116
  565    HA   VAL  70           HA       VAL  70   8.024  -2.549  -7.075
  566    HB   VAL  70           HB       VAL  70   8.310   0.403  -7.118
  567   1HG1  VAL  70          1HG1      VAL  70   8.114  -0.853  -9.671
  568   2HG1  VAL  70          2HG1      VAL  70   9.172  -1.812  -8.636
  569   3HG1  VAL  70          3HG1      VAL  70   9.517  -0.103  -8.906
  570   1HG2  VAL  70          1HG2      VAL  70   5.925  -1.053  -8.216
  571   2HG2  VAL  70          2HG2      VAL  70   6.484   0.481  -8.881
  572   3HG2  VAL  70          3HG2      VAL  70   5.964   0.387  -7.200
  573    H    LEU  71           H        LEU  71  10.251  -2.464  -6.825
  574    HA   LEU  71           HA       LEU  71  11.144  -1.647  -4.168
  575   1HB   LEU  71          2HB       LEU  71  11.790  -3.774  -5.950
  576   2HB   LEU  71          1HB       LEU  71  13.240  -2.818  -5.709
  577    HG   LEU  71           HG       LEU  71  12.810  -4.813  -4.139
  578   1HD1  LEU  71          1HD1      LEU  71  13.843  -3.639  -2.266
  579   2HD1  LEU  71          2HD1      LEU  71  13.414  -2.090  -2.993
  580   3HD1  LEU  71          3HD1      LEU  71  14.568  -3.153  -3.799
  581   1HD2  LEU  71          1HD2      LEU  71  11.437  -3.243  -2.194
  582   2HD2  LEU  71          2HD2      LEU  71  10.994  -4.811  -2.869
  583   3HD2  LEU  71          3HD2      LEU  71  10.461  -3.329  -3.660
  584    H    ARG  72           H        ARG  72  12.107   0.257  -3.893
  585    HA   ARG  72           HA       ARG  72  12.952   1.787  -6.198
  586   1HB   ARG  72          2HB       ARG  72  11.676   2.678  -4.151
  587   2HB   ARG  72          1HB       ARG  72  13.229   2.643  -3.327
  588   1HG   ARG  72          2HG       ARG  72  14.138   4.283  -4.724
  589   2HG   ARG  72          1HG       ARG  72  12.868   4.080  -5.932
  590   1HD   ARG  72          2HD       ARG  72  11.577   4.751  -3.528
  591   2HD   ARG  72          1HD       ARG  72  12.958   5.837  -3.666
  592    HE   ARG  72           HE       ARG  72  11.331   5.581  -6.046
  593   1HH1  ARG  72          2HH1      ARG  72  11.961   7.347  -3.112
  594   2HH1  ARG  72          1HH1      ARG  72  11.182   8.793  -3.661
  595   1HH2  ARG  72          1HH2      ARG  72  10.303   7.480  -6.781
  596   2HH2  ARG  72          2HH2      ARG  72  10.238   8.869  -5.748
  597    H    LEU  73           H        LEU  73  15.030   2.546  -6.596
  598    HA   LEU  73           HA       LEU  73  17.240   2.000  -4.885
  599   1HB   LEU  73          2HB       LEU  73  18.377   0.330  -6.147
  600   2HB   LEU  73          1HB       LEU  73  16.767  -0.272  -5.799
  601    HG   LEU  73           HG       LEU  73  16.772   1.083  -8.338
  602   1HD1  LEU  73          1HD1      LEU  73  18.948   0.628  -8.852
  603   2HD1  LEU  73          2HD1      LEU  73  18.198  -0.887  -9.355
  604   3HD1  LEU  73          3HD1      LEU  73  19.019  -0.784  -7.797
  605   1HD2  LEU  73          1HD2      LEU  73  15.217  -0.469  -8.612
  606   2HD2  LEU  73          2HD2      LEU  73  15.683  -1.216  -7.083
  607   3HD2  LEU  73          3HD2      LEU  73  16.457  -1.723  -8.584
  608    H    ARG  74           H        ARG  74  19.330   2.009  -6.625
  609    HA   ARG  74           HA       ARG  74  20.523   3.248  -8.138
  610   1HB   ARG  74          2HB       ARG  74  18.325   3.145  -9.478
  611   2HB   ARG  74          1HB       ARG  74  18.026   4.764  -8.861
  612   1HG   ARG  74          2HG       ARG  74  20.465   5.176  -9.802
  613   2HG   ARG  74          1HG       ARG  74  20.015   3.825 -10.845
  614   1HD   ARG  74          2HD       ARG  74  17.860   5.138 -11.288
  615   2HD   ARG  74          1HD       ARG  74  18.705   6.513 -10.582
  616    HE   ARG  74           HE       ARG  74  20.096   5.152 -12.729
  617   1HH1  ARG  74          2HH1      ARG  74  17.973   7.754 -11.807
  618   2HH1  ARG  74          1HH1      ARG  74  18.304   8.699 -13.220
  619   1HH2  ARG  74          1HH2      ARG  74  20.539   6.387 -14.593
  620   2HH2  ARG  74          2HH2      ARG  74  19.764   7.922 -14.805
  621    H    GLY  75           H        GLY  75  21.799   4.413  -6.811
  622   1HA   GLY  75          2HA       GLY  75  21.065   7.165  -6.309
  623   2HA   GLY  75          1HA       GLY  75  21.224   6.186  -4.858
  624    H    GLY  76           HN       GLY  76  23.356   4.708  -5.091
  625   1HA   GLY  76          2HA       GLY  76  25.651   4.995  -6.172
  626   2HA   GLY  76          1HA       GLY  76  25.519   6.650  -5.594
  Start of MODEL   17
    1   2H    MET   1          2H        MET   1 -12.006  -2.189   2.961
    2   3H    MET   1          3H        MET   1 -13.446  -2.955   3.409
    3   1H    MET   1          1H        MET   1 -13.494  -1.486   2.570
    4    HA   MET   1           HA       MET   1 -13.820  -3.820   1.394
    5   1HB   MET   1          2HB       MET   1 -13.141  -2.701  -0.713
    6   2HB   MET   1          1HB       MET   1 -14.156  -1.686   0.304
    7   1HG   MET   1          2HG       MET   1 -11.749  -0.895   1.162
    8   2HG   MET   1          1HG       MET   1 -11.335  -1.364  -0.486
    9   1HE   MET   1          1HE       MET   1 -10.619   1.363   0.002
   10   2HE   MET   1          2HE       MET   1 -11.516   2.407  -1.102
   11   3HE   MET   1          3HE       MET   1 -10.807   0.903  -1.691
   12    H    GLN   2           H        GLN   2 -12.619  -5.173  -0.054
   13    HA   GLN   2           HA       GLN   2  -9.894  -5.636   0.915
   14   1HB   GLN   2          2HB       GLN   2 -11.676  -7.458   0.908
   15   2HB   GLN   2          1HB       GLN   2 -11.515  -7.472  -0.842
   16   1HG   GLN   2          2HG       GLN   2  -9.164  -8.059  -0.636
   17   2HG   GLN   2          1HG       GLN   2  -9.299  -8.013   1.121
   18   1HE2  GLN   2          1HE2      GLN   2 -10.030  -9.760   2.182
   19   2HE2  GLN   2          2HE2      GLN   2 -10.554 -11.221   1.422
   20    H    VAL   3           H        VAL   3  -8.204  -5.101  -0.259
   21    HA   VAL   3           HA       VAL   3  -8.572  -4.594  -3.138
   22    HB   VAL   3           HB       VAL   3  -6.307  -3.328  -2.776
   23   1HG1  VAL   3          1HG1      VAL   3  -7.723  -1.713  -3.349
   24   2HG1  VAL   3          2HG1      VAL   3  -8.076  -1.488  -1.636
   25   3HG1  VAL   3          3HG1      VAL   3  -9.078  -2.566  -2.608
   26   1HG2  VAL   3          1HG2      VAL   3  -5.931  -4.032  -0.488
   27   2HG2  VAL   3          2HG2      VAL   3  -7.472  -3.332   0.007
   28   3HG2  VAL   3          3HG2      VAL   3  -6.165  -2.285  -0.548
   29    H    PHE   4           H        PHE   4  -6.584  -4.966  -4.477
   30    HA   PHE   4           HA       PHE   4  -5.151  -7.363  -3.536
   31   1HB   PHE   4          2HB       PHE   4  -5.782  -6.756  -6.423
   32   2HB   PHE   4          1HB       PHE   4  -5.210  -8.272  -5.735
   33    HD1  PHE   4           HD1      PHE   4  -8.010  -6.565  -6.937
   34    HD2  PHE   4           HD2      PHE   4  -6.814  -9.298  -3.890
   35    HE1  PHE   4           HE1      PHE   4 -10.342  -7.336  -6.718
   36    HE2  PHE   4           HE2      PHE   4  -9.143 -10.075  -3.666
   37    HZ   PHE   4           HZ       PHE   4 -10.909  -9.094  -5.082
   38    H    LEU   5           H        LEU   5  -3.009  -7.221  -3.466
   39    HA   LEU   5           HA       LEU   5  -1.703  -5.058  -4.985
   40   1HB   LEU   5          2HB       LEU   5  -1.726  -4.764  -2.500
   41   2HB   LEU   5          1HB       LEU   5  -0.787  -6.238  -2.364
   42    HG   LEU   5           HG       LEU   5   0.750  -4.801  -4.095
   43   1HD1  LEU   5          1HD1      LEU   5  -0.675  -2.878  -2.282
   44   2HD1  LEU   5          2HD1      LEU   5  -0.444  -2.782  -4.028
   45   3HD1  LEU   5          3HD1      LEU   5   0.925  -2.543  -2.943
   46   1HD2  LEU   5          1HD2      LEU   5   0.819  -5.637  -1.354
   47   2HD2  LEU   5          2HD2      LEU   5   1.611  -4.071  -1.526
   48   3HD2  LEU   5          3HD2      LEU   5   2.149  -5.442  -2.496
   49    H    LYS   6           H        LYS   6   0.071  -5.544  -6.185
   50    HA   LYS   6           HA       LYS   6   0.832  -8.385  -6.287
   51   1HB   LYS   6          2HB       LYS   6   0.286  -6.384  -8.343
   52   2HB   LYS   6          1HB       LYS   6   1.808  -7.227  -8.599
   53   1HG   LYS   6          2HG       LYS   6   0.320  -9.349  -8.130
   54   2HG   LYS   6          1HG       LYS   6  -0.972  -8.267  -8.654
   55   1HD   LYS   6          2HD       LYS   6   1.543  -8.841 -10.217
   56   2HD   LYS   6          1HD       LYS   6  -0.022  -9.601 -10.506
   57   1HE   LYS   6          2HE       LYS   6  -0.708  -6.981 -10.544
   58   2HE   LYS   6          1HE       LYS   6   0.933  -6.903 -11.187
   59   1HZ   LYS   6          1HZ       LYS   6  -1.429  -8.267 -12.298
   60   2HZ   LYS   6          2HZ       LYS   6   0.122  -8.810 -12.697
   61   3HZ   LYS   6          3HZ       LYS   6  -0.338  -7.225 -13.064
   62    H    THR   7           H        THR   7   2.969  -8.981  -6.290
   63    HA   THR   7           HA       THR   7   4.840  -6.924  -5.359
   64    HB   THR   7           HB       THR   7   6.075  -8.579  -4.291
   65    HG1  THR   7           HG1      THR   7   4.812 -10.465  -6.018
   66   1HG2  THR   7          1HG2      THR   7   3.318  -9.801  -4.249
   67   2HG2  THR   7          2HG2      THR   7   3.744  -8.330  -3.375
   68   3HG2  THR   7          3HG2      THR   7   4.541  -9.853  -2.979
   69    H    LEU   8           H        LEU   8   7.250  -7.790  -5.952
   70    HA   LEU   8           HA       LEU   8   7.504  -7.263  -8.738
   71   1HB   LEU   8          2HB       LEU   8   9.605  -8.220  -6.794
   72   2HB   LEU   8          1HB       LEU   8   9.901  -7.501  -8.366
   73    HG   LEU   8           HG       LEU   8   8.565  -6.061  -6.074
   74   1HD1  LEU   8          1HD1      LEU   8  10.564  -5.225  -5.395
   75   2HD1  LEU   8          2HD1      LEU   8  11.292  -5.360  -6.995
   76   3HD1  LEU   8          3HD1      LEU   8  11.117  -6.794  -5.983
   77   1HD2  LEU   8          1HD2      LEU   8   9.835  -4.465  -8.125
   78   2HD2  LEU   8          2HD2      LEU   8   8.192  -4.385  -7.489
   79   3HD2  LEU   8          3HD2      LEU   8   8.579  -5.506  -8.793
   80    H    THR   9           H        THR   9   6.838 -10.076  -7.051
   81    HA   THR   9           HA       THR   9   8.107 -11.811  -9.046
   82    HB   THR   9           HB       THR   9   7.747 -13.643  -7.580
   83    HG1  THR   9           HG1      THR   9   6.092 -11.886  -6.059
   84   1HG2  THR   9          1HG2      THR   9   8.513 -11.209  -5.967
   85   2HG2  THR   9          2HG2      THR   9   9.598 -12.255  -6.884
   86   3HG2  THR   9          3HG2      THR   9   8.774 -12.876  -5.453
   87    H    GLY  10           H        GLY  10   5.035 -10.586  -8.029
   88   1HA   GLY  10          2HA       GLY  10   3.343 -10.677  -9.867
   89   2HA   GLY  10          1HA       GLY  10   3.705 -12.395  -9.952
   90    H    LYS  11           H        LYS  11   3.671 -13.279  -7.456
   91    HA   LYS  11           HA       LYS  11   1.366 -14.075  -6.668
   92   1HB   LYS  11          2HB       LYS  11   3.313 -14.380  -5.261
   93   2HB   LYS  11          1HB       LYS  11   3.255 -12.696  -4.760
   94   1HG   LYS  11          2HG       LYS  11   0.932 -13.237  -3.842
   95   2HG   LYS  11          1HG       LYS  11   1.394 -14.929  -4.037
   96   1HD   LYS  11          2HD       LYS  11   3.371 -14.529  -2.623
   97   2HD   LYS  11          1HD       LYS  11   2.851 -12.859  -2.394
   98   1HE   LYS  11          2HE       LYS  11   1.045 -13.465  -1.082
   99   2HE   LYS  11          1HE       LYS  11   0.987 -15.100  -1.738
  100   1HZ   LYS  11          1HZ       LYS  11   3.339 -15.209  -0.590
  101   2HZ   LYS  11          2HZ       LYS  11   1.918 -15.526   0.270
  102   3HZ   LYS  11          3HZ       LYS  11   2.661 -14.011   0.394
  103    H    THR  12           H        THR  12  -0.565 -13.499  -5.857
  104    HA   THR  12           HA       THR  12  -1.139 -10.616  -5.736
  105    HB   THR  12           HB       THR  12  -3.137 -12.864  -6.020
  106    HG1  THR  12           HG1      THR  12  -1.937 -11.212  -8.012
  107   1HG2  THR  12          1HG2      THR  12  -3.303  -9.868  -6.218
  108   2HG2  THR  12          2HG2      THR  12  -4.255 -10.957  -5.209
  109   3HG2  THR  12          3HG2      THR  12  -4.511 -10.920  -6.954
  110    H    VAL  13           H        VAL  13  -1.587  -9.707  -3.841
  111    HA   VAL  13           HA       VAL  13  -2.198 -11.463  -1.559
  112    HB   VAL  13           HB       VAL  13  -1.562  -9.245  -0.284
  113   1HG1  VAL  13          1HG1      VAL  13   0.306 -10.344   0.311
  114   2HG1  VAL  13          2HG1      VAL  13   0.869 -10.498  -1.353
  115   3HG1  VAL  13          3HG1      VAL  13  -0.333 -11.623  -0.721
  116   1HG2  VAL  13          1HG2      VAL  13  -1.337  -8.072  -2.556
  117   2HG2  VAL  13          2HG2      VAL  13   0.199  -8.927  -2.691
  118   3HG2  VAL  13          3HG2      VAL  13  -0.071  -7.805  -1.357
  119    H    THR  14           H        THR  14  -3.807 -10.855  -0.063
  120    HA   THR  14           HA       THR  14  -5.797  -8.970  -1.149
  121    HB   THR  14           HB       THR  14  -7.266 -10.451   0.569
  122    HG1  THR  14           HG1      THR  14  -6.539 -12.699  -0.052
  123   1HG2  THR  14          1HG2      THR  14  -8.379 -11.085  -1.293
  124   2HG2  THR  14          2HG2      THR  14  -6.932 -11.740  -2.060
  125   3HG2  THR  14          3HG2      THR  14  -7.244 -10.004  -2.103
  126    H    ILE  15           H        ILE  15  -5.357  -7.112  -0.072
  127    HA   ILE  15           HA       ILE  15  -5.142  -7.233   2.859
  128    HB   ILE  15           HB       ILE  15  -4.452  -4.901   1.073
  129   1HG1  ILE  15          2HG1      ILE  15  -2.669  -7.043   2.252
  130   2HG1  ILE  15          1HG1      ILE  15  -2.977  -6.759   0.542
  131   1HG2  ILE  15          1HG2      ILE  15  -4.988  -4.821   3.693
  132   2HG2  ILE  15          2HG2      ILE  15  -3.790  -3.780   2.924
  133   3HG2  ILE  15          3HG2      ILE  15  -3.277  -5.244   3.762
  134   1HD1  ILE  15          1HD1      ILE  15  -0.813  -5.861   1.804
  135   2HD1  ILE  15          2HD1      ILE  15  -1.887  -4.489   2.076
  136   3HD1  ILE  15          3HD1      ILE  15  -1.541  -5.027   0.431
  137    H    GLU  16           H        GLU  16  -6.463  -5.992   4.164
  138    HA   GLU  16           HA       GLU  16  -8.878  -4.962   2.851
  139   1HB   GLU  16          2HB       GLU  16  -8.622  -5.465   5.801
  140   2HB   GLU  16          1HB       GLU  16 -10.075  -5.432   4.812
  141   1HG   GLU  16          2HG       GLU  16  -8.186  -7.495   4.004
  142   2HG   GLU  16          1HG       GLU  16  -8.756  -7.676   5.664
  143    H    VAL  17           H        VAL  17  -9.357  -2.864   2.886
  144    HA   VAL  17           HA       VAL  17  -8.158  -1.136   4.911
  145    HB   VAL  17           HB       VAL  17  -7.189   0.393   3.458
  146   1HG1  VAL  17          1HG1      VAL  17  -5.681  -1.356   3.443
  147   2HG1  VAL  17          2HG1      VAL  17  -5.920  -1.059   1.722
  148   3HG1  VAL  17          3HG1      VAL  17  -6.745  -2.405   2.507
  149   1HG2  VAL  17          1HG2      VAL  17  -9.242  -0.498   1.619
  150   2HG2  VAL  17          2HG2      VAL  17  -7.677  -0.329   0.824
  151   3HG2  VAL  17          3HG2      VAL  17  -8.379   1.038   1.688
  152    H    GLU  18           H        GLU  18  -9.103   1.166   4.675
  153    HA   GLU  18           HA       GLU  18 -11.872   1.054   3.708
  154   1HB   GLU  18          2HB       GLU  18 -10.922   1.590   6.483
  155   2HB   GLU  18          1HB       GLU  18 -12.301   2.506   5.890
  156   1HG   GLU  18          2HG       GLU  18 -13.676   0.771   6.096
  157   2HG   GLU  18          1HG       GLU  18 -12.530  -0.337   5.342
  158    HA   PRO  19           HA       PRO  19 -10.974   4.924   1.797
  159   1HB   PRO  19          2HB       PRO  19 -13.498   6.057   2.067
  160   2HB   PRO  19          1HB       PRO  19 -12.996   4.985   0.757
  161   1HG   PRO  19          2HG       PRO  19 -14.526   4.358   3.243
  162   2HG   PRO  19          1HG       PRO  19 -14.739   3.719   1.602
  163   1HD   PRO  19          2HD       PRO  19 -13.538   2.279   3.517
  164   2HD   PRO  19          1HD       PRO  19 -12.988   2.212   1.829
  165    H    SER  20           H        SER  20  -9.581   5.717   3.405
  166    HA   SER  20           HA       SER  20  -9.860   8.128   4.443
  167   1HB   SER  20          2HB       SER  20 -10.532   7.569   6.937
  168   2HB   SER  20          1HB       SER  20 -11.766   7.903   5.724
  169    HG   SER  20           HG       SER  20 -11.607   5.783   7.195
  170    H    ASP  21           H        ASP  21  -8.459   5.082   4.588
  171    HA   ASP  21           HA       ASP  21  -6.717   5.447   6.810
  172   1HB   ASP  21          2HB       ASP  21  -6.847   3.537   4.499
  173   2HB   ASP  21          1HB       ASP  21  -5.411   3.582   5.518
  174    H    THR  22           H        THR  22  -4.365   5.684   6.650
  175    HA   THR  22           HA       THR  22  -3.679   7.707   4.664
  176    HB   THR  22           HB       THR  22  -1.741   8.192   6.036
  177    HG1  THR  22           HG1      THR  22  -1.881   6.835   8.175
  178   1HG2  THR  22          1HG2      THR  22  -3.679   7.885   8.220
  179   2HG2  THR  22          2HG2      THR  22  -4.324   8.659   6.772
  180   3HG2  THR  22          3HG2      THR  22  -2.911   9.338   7.581
  181    H    VAL  23           H        VAL  23  -2.073   7.498   3.164
  182    HA   VAL  23           HA       VAL  23  -1.512   5.137   1.954
  183    HB   VAL  23           HB       VAL  23   0.340   7.515   2.156
  184   1HG1  VAL  23          1HG1      VAL  23   0.517   4.974   0.635
  185   2HG1  VAL  23          2HG1      VAL  23   1.796   5.991   1.301
  186   3HG1  VAL  23          3HG1      VAL  23   0.987   6.459  -0.194
  187   1HG2  VAL  23          1HG2      VAL  23  -0.691   7.648  -0.309
  188   2HG2  VAL  23          2HG2      VAL  23  -1.443   8.422   1.087
  189   3HG2  VAL  23          3HG2      VAL  23  -2.036   6.862   0.518
  190    H    GLU  24           H        GLU  24   0.300   6.590   4.622
  191    HA   GLU  24           HA       GLU  24   2.456   4.831   4.699
  192   1HB   GLU  24          2HB       GLU  24   2.305   6.906   6.028
  193   2HB   GLU  24          1HB       GLU  24   1.078   6.157   7.040
  194   1HG   GLU  24          2HG       GLU  24   3.483   4.549   6.863
  195   2HG   GLU  24          1HG       GLU  24   3.799   6.169   7.486
  196    H    ASN  25           H        ASN  25  -0.546   4.667   6.622
  197    HA   ASN  25           HA       ASN  25  -0.116   2.278   7.910
  198   1HB   ASN  25          2HB       ASN  25  -2.411   3.931   7.271
  199   2HB   ASN  25          1HB       ASN  25  -2.835   2.222   7.243
  200   1HD2  ASN  25          1HD2      ASN  25  -3.626   4.314   9.109
  201   2HD2  ASN  25          2HD2      ASN  25  -3.132   3.772  10.673
  202    H    PHE  26           H        PHE  26  -1.435   2.791   4.663
  203    HA   PHE  26           HA       PHE  26  -2.121   0.177   4.035
  204   1HB   PHE  26          2HB       PHE  26  -2.649   2.143   2.623
  205   2HB   PHE  26          1HB       PHE  26  -0.953   2.246   2.161
  206    HD1  PHE  26           HD1      PHE  26  -2.289  -1.075   2.587
  207    HD2  PHE  26           HD2      PHE  26  -1.764   2.113  -0.195
  208    HE1  PHE  26           HE1      PHE  26  -2.704  -2.637   0.725
  209    HE2  PHE  26           HE2      PHE  26  -2.179   0.558  -2.062
  210    HZ   PHE  26           HZ       PHE  26  -2.650  -1.821  -1.602
  211    H    LYS  27           H        LYS  27   0.958   1.837   3.348
  212    HA   LYS  27           HA       LYS  27   2.302  -0.381   2.300
  213   1HB   LYS  27          2HB       LYS  27   3.538   1.913   3.832
  214   2HB   LYS  27          1HB       LYS  27   4.344   0.868   2.670
  215   1HG   LYS  27          2HG       LYS  27   3.085   1.779   0.864
  216   2HG   LYS  27          1HG       LYS  27   2.038   2.669   1.972
  217   1HD   LYS  27          2HD       LYS  27   3.417   4.399   1.693
  218   2HD   LYS  27          1HD       LYS  27   4.588   3.497   2.657
  219   1HE   LYS  27          2HE       LYS  27   5.890   3.786   0.835
  220   2HE   LYS  27          1HE       LYS  27   5.010   2.373   0.253
  221   1HZ   LYS  27          1HZ       LYS  27   4.466   3.641  -1.473
  222   2HZ   LYS  27          2HZ       LYS  27   4.969   5.067  -0.714
  223   3HZ   LYS  27          3HZ       LYS  27   3.414   4.465  -0.435
  224    H    ALA  28           H        ALA  28   1.599   0.540   5.567
  225    HA   ALA  28           HA       ALA  28   3.569  -1.032   6.867
  226   1HB   ALA  28          1HB       ALA  28   2.480  -0.511   8.862
  227   2HB   ALA  28          2HB       ALA  28   0.907  -0.372   8.079
  228   3HB   ALA  28          3HB       ALA  28   2.131   0.872   7.826
  229    H    LYS  29           H        LYS  29   0.237  -1.648   5.865
  230    HA   LYS  29           HA       LYS  29   0.035  -4.214   7.060
  231   1HB   LYS  29          2HB       LYS  29  -1.495  -3.003   4.751
  232   2HB   LYS  29          1HB       LYS  29  -1.930  -4.497   5.569
  233   1HG   LYS  29          2HG       LYS  29  -2.583  -3.404   7.501
  234   2HG   LYS  29          1HG       LYS  29  -1.640  -1.960   7.122
  235   1HD   LYS  29          2HD       LYS  29  -3.219  -1.691   5.120
  236   2HD   LYS  29          1HD       LYS  29  -4.251  -2.862   5.945
  237   1HE   LYS  29          2HE       LYS  29  -3.745  -1.163   7.972
  238   2HE   LYS  29          1HE       LYS  29  -3.662  -0.049   6.607
  239   1HZ   LYS  29          1HZ       LYS  29  -5.854  -0.135   6.328
  240   2HZ   LYS  29          2HZ       LYS  29  -5.931  -0.848   7.860
  241   3HZ   LYS  29          3HZ       LYS  29  -5.913  -1.820   6.476
  242    H    ILE  30           H        ILE  30   0.953  -3.087   3.838
  243    HA   ILE  30           HA       ILE  30   1.148  -5.610   2.607
  244    HB   ILE  30           HB       ILE  30   2.551  -3.008   2.005
  245   1HG1  ILE  30          2HG1      ILE  30   0.547  -4.269   0.203
  246   2HG1  ILE  30          1HG1      ILE  30  -0.051  -3.566   1.703
  247   1HG2  ILE  30          1HG2      ILE  30   2.982  -4.120  -0.248
  248   2HG2  ILE  30          2HG2      ILE  30   2.672  -5.647   0.579
  249   3HG2  ILE  30          3HG2      ILE  30   4.001  -4.614   1.103
  250   1HD1  ILE  30          1HD1      ILE  30   0.136  -1.504   0.909
  251   2HD1  ILE  30          2HD1      ILE  30   0.392  -2.243  -0.672
  252   3HD1  ILE  30          3HD1      ILE  30   1.775  -1.793   0.325
  253    H    GLN  31           H        GLN  31   3.398  -3.749   4.560
  254    HA   GLN  31           HA       GLN  31   5.734  -5.208   4.032
  255   1HB   GLN  31          2HB       GLN  31   6.072  -3.190   5.155
  256   2HB   GLN  31          1HB       GLN  31   4.813  -3.525   6.336
  257   1HG   GLN  31          2HG       GLN  31   6.894  -5.502   6.492
  258   2HG   GLN  31          1HG       GLN  31   7.562  -3.875   6.633
  259   1HE2  GLN  31          1HE2      GLN  31   7.258  -6.042   8.612
  260   2HE2  GLN  31          2HE2      GLN  31   6.380  -5.345   9.927
  261    H    ASP  32           H        ASP  32   3.169  -5.699   6.411
  262    HA   ASP  32           HA       ASP  32   4.428  -7.887   7.721
  263   1HB   ASP  32          2HB       ASP  32   2.462  -8.094   8.975
  264   2HB   ASP  32          1HB       ASP  32   2.505  -6.380   8.569
  265    H    LYS  33           H        LYS  33   2.925  -7.593   4.711
  266    HA   LYS  33           HA       LYS  33   2.285 -10.459   4.597
  267   1HB   LYS  33          2HB       LYS  33   1.299  -8.056   3.153
  268   2HB   LYS  33          1HB       LYS  33   1.362  -9.563   2.252
  269   1HG   LYS  33          2HG       LYS  33  -0.093 -10.635   3.828
  270   2HG   LYS  33          1HG       LYS  33  -0.045  -9.227   4.891
  271   1HD   LYS  33          2HD       LYS  33  -1.476  -8.025   3.591
  272   2HD   LYS  33          1HD       LYS  33  -0.925  -8.784   2.096
  273   1HE   LYS  33          2HE       LYS  33  -3.229  -9.416   2.637
  274   2HE   LYS  33          1HE       LYS  33  -2.149 -10.810   2.648
  275   1HZ   LYS  33          1HZ       LYS  33  -2.668  -9.385   5.164
  276   2HZ   LYS  33          2HZ       LYS  33  -2.288 -11.014   4.911
  277   3HZ   LYS  33          3HZ       LYS  33  -3.844 -10.446   4.567
  278    H    GLU  34           H        GLU  34   4.169  -7.929   3.025
  279    HA   GLU  34           HA       GLU  34   5.426  -9.924   1.287
  280   1HB   GLU  34          2HB       GLU  34   5.116  -6.967   1.199
  281   2HB   GLU  34          1HB       GLU  34   6.559  -7.652   0.463
  282   1HG   GLU  34          2HG       GLU  34   4.724  -7.313  -1.137
  283   2HG   GLU  34          1HG       GLU  34   5.229  -8.998  -1.016
  284    H    GLY  35           H        GLY  35   5.957  -8.265   4.195
  285   1HA   GLY  35          2HA       GLY  35   7.735  -8.349   5.657
  286   2HA   GLY  35          1HA       GLY  35   8.516  -9.471   4.553
  287    H    ILE  36           H        ILE  36   7.487  -6.425   3.308
  288    HA   ILE  36           HA       ILE  36  10.298  -5.543   3.233
  289    HB   ILE  36           HB       ILE  36   8.074  -4.835   1.315
  290   1HG1  ILE  36          2HG1      ILE  36  10.414  -6.734   1.073
  291   2HG1  ILE  36          1HG1      ILE  36   8.701  -7.138   0.991
  292   1HG2  ILE  36          1HG2      ILE  36   9.722  -3.695   0.022
  293   2HG2  ILE  36          2HG2      ILE  36  11.018  -4.256   1.078
  294   3HG2  ILE  36          3HG2      ILE  36   9.833  -3.096   1.678
  295   1HD1  ILE  36          1HD1      ILE  36  10.477  -6.393  -1.105
  296   2HD1  ILE  36          2HD1      ILE  36   9.172  -5.211  -0.999
  297   3HD1  ILE  36          3HD1      ILE  36   8.798  -6.922  -1.201
  298    HA   PRO  37           HA       PRO  37   9.094  -2.104   5.752
  299   1HB   PRO  37          2HB       PRO  37  11.219  -0.485   5.222
  300   2HB   PRO  37          1HB       PRO  37  11.308  -1.878   6.305
  301   1HG   PRO  37          2HG       PRO  37  12.144  -1.647   3.438
  302   2HG   PRO  37          1HG       PRO  37  12.979  -2.440   4.787
  303   1HD   PRO  37          2HD       PRO  37  11.550  -3.825   2.962
  304   2HD   PRO  37          1HD       PRO  37  11.660  -4.329   4.660
  305    HA   PRO  38           HA       PRO  38   6.990   0.744   3.123
  306   1HB   PRO  38          2HB       PRO  38   7.056   2.983   4.713
  307   2HB   PRO  38          1HB       PRO  38   5.931   1.639   4.937
  308   1HG   PRO  38          2HG       PRO  38   8.499   2.221   6.357
  309   2HG   PRO  38          1HG       PRO  38   6.961   1.633   7.017
  310   1HD   PRO  38          2HD       PRO  38   9.038  -0.019   6.576
  311   2HD   PRO  38          1HD       PRO  38   7.358  -0.545   6.339
  312    H    ASP  39           H        ASP  39  10.056   1.747   4.557
  313    HA   ASP  39           HA       ASP  39  10.520   4.006   2.957
  314   1HB   ASP  39          2HB       ASP  39  11.807   3.479   5.001
  315   2HB   ASP  39          1HB       ASP  39  12.558   2.123   4.166
  316    H    GLN  40           H        GLN  40  10.748   0.627   2.284
  317    HA   GLN  40           HA       GLN  40  12.075   1.204  -0.281
  318   1HB   GLN  40          2HB       GLN  40  11.862  -1.408   1.228
  319   2HB   GLN  40          1HB       GLN  40  12.635  -1.206  -0.339
  320   1HG   GLN  40          2HG       GLN  40  14.175   0.452   0.764
  321   2HG   GLN  40          1HG       GLN  40  13.504  -0.080   2.305
  322   1HE2  GLN  40          1HE2      GLN  40  16.083  -0.384   2.134
  323   2HE2  GLN  40          2HE2      GLN  40  16.543  -2.023   1.835
  324    H    GLN  41           H        GLN  41   9.123   1.207   0.718
  325    HA   GLN  41           HA       GLN  41   7.999  -0.655  -1.246
  326   1HB   GLN  41          2HB       GLN  41   6.921   0.746   1.166
  327   2HB   GLN  41          1HB       GLN  41   5.806   0.249  -0.100
  328   1HG   GLN  41          2HG       GLN  41   6.887  -2.063   0.130
  329   2HG   GLN  41          1HG       GLN  41   7.537  -1.452   1.650
  330   1HE2  GLN  41          1HE2      GLN  41   6.301  -3.122   2.669
  331   2HE2  GLN  41          2HE2      GLN  41   4.616  -2.891   2.971
  332    H    ARG  42           H        ARG  42   6.820   0.001  -2.987
  333    HA   ARG  42           HA       ARG  42   6.376   2.879  -3.356
  334   1HB   ARG  42          2HB       ARG  42   8.493   2.027  -4.521
  335   2HB   ARG  42          1HB       ARG  42   7.412   1.134  -5.584
  336   1HG   ARG  42          2HG       ARG  42   6.606   3.037  -6.590
  337   2HG   ARG  42          1HG       ARG  42   7.005   4.063  -5.210
  338   1HD   ARG  42          2HD       ARG  42   9.222   4.239  -5.809
  339   2HD   ARG  42          1HD       ARG  42   9.204   2.730  -6.720
  340    HE   ARG  42           HE       ARG  42   8.468   5.356  -7.678
  341   1HH1  ARG  42          2HH1      ARG  42   8.293   1.916  -8.194
  342   2HH1  ARG  42          1HH1      ARG  42   7.979   2.056  -9.891
  343   1HH2  ARG  42          1HH2      ARG  42   8.054   5.551  -9.911
  344   2HH2  ARG  42          2HH2      ARG  42   7.843   4.123 -10.868
  345    H    LEU  43           H        LEU  43   4.224   3.036  -3.469
  346    HA   LEU  43           HA       LEU  43   2.708   0.937  -4.839
  347   1HB   LEU  43          2HB       LEU  43   1.569   3.231  -3.261
  348   2HB   LEU  43          1HB       LEU  43   0.784   1.724  -3.696
  349    HG   LEU  43           HG       LEU  43   2.922   2.159  -1.624
  350   1HD1  LEU  43          1HD1      LEU  43   0.038   1.744  -1.630
  351   2HD1  LEU  43          2HD1      LEU  43   1.093   2.379  -0.366
  352   3HD1  LEU  43          3HD1      LEU  43   0.903   0.637  -0.565
  353   1HD2  LEU  43          1HD2      LEU  43   3.718   0.169  -2.360
  354   2HD2  LEU  43          2HD2      LEU  43   2.194  -0.285  -3.122
  355   3HD2  LEU  43          3HD2      LEU  43   2.390  -0.446  -1.376
  356    H    ILE  44           H        ILE  44   2.075   1.230  -6.852
  357    HA   ILE  44           HA       ILE  44   1.684   3.984  -7.833
  358    HB   ILE  44           HB       ILE  44   2.499   1.654  -9.561
  359   1HG1  ILE  44          2HG1      ILE  44   4.154   2.390  -7.677
  360   2HG1  ILE  44          1HG1      ILE  44   4.751   2.174  -9.320
  361   1HG2  ILE  44          1HG2      ILE  44   2.600   4.633 -10.007
  362   2HG2  ILE  44          2HG2      ILE  44   1.410   3.525 -10.691
  363   3HG2  ILE  44          3HG2      ILE  44   3.106   3.393 -11.155
  364   1HD1  ILE  44          1HD1      ILE  44   3.971   4.814  -8.111
  365   2HD1  ILE  44          2HD1      ILE  44   4.700   4.548  -9.695
  366   3HD1  ILE  44          3HD1      ILE  44   5.619   4.197  -8.232
  367    H    PHE  45           H        PHE  45  -0.404   4.376  -8.153
  368    HA   PHE  45           HA       PHE  45  -2.052   2.273  -9.383
  369   1HB   PHE  45          2HB       PHE  45  -2.649   2.302  -7.040
  370   2HB   PHE  45          1HB       PHE  45  -2.829   4.054  -7.067
  371    HD1  PHE  45           HD1      PHE  45  -4.194   0.976  -8.664
  372    HD2  PHE  45           HD2      PHE  45  -4.920   4.978  -7.385
  373    HE1  PHE  45           HE1      PHE  45  -6.580   0.719  -9.227
  374    HE2  PHE  45           HE2      PHE  45  -7.307   4.728  -7.946
  375    HZ   PHE  45           HZ       PHE  45  -8.139   2.597  -8.867
  376    H    ALA  46           H        ALA  46  -3.244   2.915 -11.072
  377    HA   ALA  46           HA       ALA  46  -3.997   4.236 -12.770
  378   1HB   ALA  46          1HB       ALA  46  -5.633   5.632 -12.116
  379   2HB   ALA  46          2HB       ALA  46  -4.568   6.541 -11.043
  380   3HB   ALA  46          3HB       ALA  46  -5.263   5.013 -10.505
  381    H    GLY  47           H        GLY  47  -1.245   4.326 -12.482
  382   1HA   GLY  47          2HA       GLY  47   0.573   5.527 -13.201
  383   2HA   GLY  47          1HA       GLY  47  -0.577   6.617 -13.962
  384    H    LYS  48           H        LYS  48  -0.985   6.232 -10.600
  385    HA   LYS  48           HA       LYS  48   0.487   8.734 -10.098
  386   1HB   LYS  48          2HB       LYS  48  -1.892   8.142  -8.432
  387   2HB   LYS  48          1HB       LYS  48  -1.281   9.685  -9.014
  388   1HG   LYS  48          2HG       LYS  48  -2.093   8.916 -11.319
  389   2HG   LYS  48          1HG       LYS  48  -3.009   7.695 -10.435
  390   1HD   LYS  48          2HD       LYS  48  -3.233  10.467  -9.441
  391   2HD   LYS  48          1HD       LYS  48  -3.966  10.141 -11.014
  392   1HE   LYS  48          2HE       LYS  48  -5.129   8.183  -9.943
  393   2HE   LYS  48          1HE       LYS  48  -4.551   8.784  -8.390
  394   1HZ   LYS  48          1HZ       LYS  48  -6.609   9.745  -8.520
  395   2HZ   LYS  48          2HZ       LYS  48  -6.553   9.944 -10.199
  396   3HZ   LYS  48          3HZ       LYS  48  -5.662  10.974  -9.196
  397    H    GLN  49           H        GLN  49   1.736   8.820  -8.302
  398    HA   GLN  49           HA       GLN  49   2.135   6.329  -6.861
  399   1HB   GLN  49          2HB       GLN  49   4.035   7.715  -7.773
  400   2HB   GLN  49          1HB       GLN  49   3.654   8.920  -6.552
  401   1HG   GLN  49          2HG       GLN  49   4.088   7.276  -4.796
  402   2HG   GLN  49          1HG       GLN  49   4.483   6.075  -6.025
  403   1HE2  GLN  49          1HE2      GLN  49   6.014   7.484  -3.813
  404   2HE2  GLN  49          2HE2      GLN  49   7.455   8.033  -4.591
  405    H    LEU  50           H        LEU  50   1.831   6.029  -4.685
  406    HA   LEU  50           HA       LEU  50  -0.006   7.868  -3.403
  407   1HB   LEU  50          2HB       LEU  50   1.119   5.331  -2.238
  408   2HB   LEU  50          1HB       LEU  50  -0.354   6.162  -1.781
  409    HG   LEU  50           HG       LEU  50   0.151   4.570  -4.288
  410   1HD1  LEU  50          1HD1      LEU  50  -1.028   2.944  -3.320
  411   2HD1  LEU  50          2HD1      LEU  50  -2.247   4.069  -2.721
  412   3HD1  LEU  50          3HD1      LEU  50  -0.762   3.811  -1.807
  413   1HD2  LEU  50          1HD2      LEU  50  -2.124   6.422  -3.618
  414   2HD2  LEU  50          2HD2      LEU  50  -2.221   5.165  -4.852
  415   3HD2  LEU  50          3HD2      LEU  50  -1.056   6.480  -5.021
  416    H    GLU  51           H        GLU  51   0.530   9.346  -1.929
  417    HA   GLU  51           HA       GLU  51   3.291   9.388  -0.951
  418   1HB   GLU  51          2HB       GLU  51   1.160  11.500  -1.192
  419   2HB   GLU  51          1HB       GLU  51   2.602  11.754  -0.221
  420   1HG   GLU  51          2HG       GLU  51   3.812  12.243  -2.007
  421   2HG   GLU  51          1HG       GLU  51   3.295  10.775  -2.835
  422    H    ASP  52           H        ASP  52   3.790   9.638   1.238
  423    HA   ASP  52           HA       ASP  52   2.036   8.304   3.036
  424   1HB   ASP  52          2HB       ASP  52   4.703   9.654   3.314
  425   2HB   ASP  52          1HB       ASP  52   3.828   9.105   4.741
  426    H    GLY  53           H        GLY  53   1.864  11.380   1.903
  427   1HA   GLY  53          2HA       GLY  53   0.967  12.518   4.462
  428   2HA   GLY  53          1HA       GLY  53   1.352  13.438   3.014
  429    H    ARG  54           H        ARG  54  -0.217  11.180   1.563
  430    HA   ARG  54           HA       ARG  54  -2.834  12.469   1.921
  431   1HB   ARG  54          2HB       ARG  54  -1.905  10.788  -0.409
  432   2HB   ARG  54          1HB       ARG  54  -3.356  11.777  -0.327
  433   1HG   ARG  54          2HG       ARG  54  -0.648  13.011  -0.018
  434   2HG   ARG  54          1HG       ARG  54  -1.312  12.663  -1.615
  435   1HD   ARG  54          2HD       ARG  54  -2.494  14.538  -1.529
  436   2HD   ARG  54          1HD       ARG  54  -3.341  13.933  -0.106
  437    HE   ARG  54           HE       ARG  54  -0.783  15.043   0.528
  438   1HH1  ARG  54          2HH1      ARG  54  -4.114  15.817  -0.126
  439   2HH1  ARG  54          1HH1      ARG  54  -4.079  17.302   0.763
  440   1HH2  ARG  54          1HH2      ARG  54  -0.724  16.998   1.700
  441   2HH2  ARG  54          2HH2      ARG  54  -2.150  17.976   1.800
  442    H    THR  55           H        THR  55  -4.660  10.848   1.107
  443    HA   THR  55           HA       THR  55  -4.284   8.318   2.572
  444    HB   THR  55           HB       THR  55  -6.636   8.417   3.257
  445    HG1  THR  55           HG1      THR  55  -7.409   9.742   1.537
  446   1HG2  THR  55          1HG2      THR  55  -4.681   9.564   4.538
  447   2HG2  THR  55          2HG2      THR  55  -6.343   9.881   5.034
  448   3HG2  THR  55          3HG2      THR  55  -5.476  11.060   4.052
  449    H    LEU  56           H        LEU  56  -6.450   6.926   2.000
  450    HA   LEU  56           HA       LEU  56  -6.080   6.170  -0.718
  451   1HB   LEU  56          2HB       LEU  56  -8.385   5.294   0.998
  452   2HB   LEU  56          1HB       LEU  56  -7.588   4.410  -0.290
  453    HG   LEU  56           HG       LEU  56  -6.510   4.965   2.472
  454   1HD1  LEU  56          1HD1      LEU  56  -6.427   2.468   2.532
  455   2HD1  LEU  56          2HD1      LEU  56  -7.329   2.461   1.017
  456   3HD1  LEU  56          3HD1      LEU  56  -8.052   3.149   2.471
  457   1HD2  LEU  56          1HD2      LEU  56  -4.586   5.146   1.209
  458   2HD2  LEU  56          2HD2      LEU  56  -5.157   4.011  -0.015
  459   3HD2  LEU  56          3HD2      LEU  56  -4.634   3.419   1.562
  460    H    SER  57           H        SER  57  -8.663   7.828   1.040
  461    HA   SER  57           HA       SER  57 -10.499   8.003  -1.076
  462   1HB   SER  57          2HB       SER  57 -11.580   9.756   0.224
  463   2HB   SER  57          1HB       SER  57 -11.056   8.462   1.300
  464    HG   SER  57           HG       SER  57 -10.480  10.453   2.176
  465    H    ASP  58           H        ASP  58  -7.583   9.724  -0.422
  466    HA   ASP  58           HA       ASP  58  -8.113  12.068  -1.922
  467   1HB   ASP  58          2HB       ASP  58  -5.668  10.737  -0.843
  468   2HB   ASP  58          1HB       ASP  58  -5.464  11.983  -2.071
  469    H    TYR  59           H        TYR  59  -6.925   8.881  -2.759
  470    HA   TYR  59           HA       TYR  59  -6.510   9.721  -5.537
  471   1HB   TYR  59          2HB       TYR  59  -5.777   7.160  -4.102
  472   2HB   TYR  59          1HB       TYR  59  -5.484   7.461  -5.811
  473    HD1  TYR  59           HD1      TYR  59  -3.313   8.009  -6.339
  474    HD2  TYR  59           HD2      TYR  59  -4.884   9.265  -2.580
  475    HE1  TYR  59           HE1      TYR  59  -1.148   9.048  -5.787
  476    HE2  TYR  59           HE2      TYR  59  -2.724  10.307  -2.019
  477    HH   TYR  59           HH       TYR  59   0.111   9.850  -4.005
  478    H    ASN  60           H        ASN  60  -9.119   9.131  -4.000
  479    HA   ASN  60           HA       ASN  60 -11.126   8.103  -4.360
  480   1HB   ASN  60          2HB       ASN  60 -10.535   7.878  -7.272
  481   2HB   ASN  60          1HB       ASN  60 -11.977   8.482  -6.460
  482   1HD2  ASN  60          1HD2      ASN  60 -12.202  10.610  -6.138
  483   2HD2  ASN  60          2HD2      ASN  60 -11.019  11.799  -6.555
  484    H    ILE  61           H        ILE  61  -9.390   6.268  -3.470
  485    HA   ILE  61           HA       ILE  61  -9.175   4.012  -5.240
  486    HB   ILE  61           HB       ILE  61  -8.669   4.262  -2.274
  487   1HG1  ILE  61          2HG1      ILE  61  -6.896   4.302  -4.714
  488   2HG1  ILE  61          1HG1      ILE  61  -7.049   5.531  -3.462
  489   1HG2  ILE  61          1HG2      ILE  61  -9.290   1.968  -2.901
  490   2HG2  ILE  61          2HG2      ILE  61  -7.605   2.088  -2.396
  491   3HG2  ILE  61          3HG2      ILE  61  -8.006   1.964  -4.109
  492   1HD1  ILE  61          1HD1      ILE  61  -5.080   4.589  -2.847
  493   2HD1  ILE  61          2HD1      ILE  61  -5.522   2.994  -3.455
  494   3HD1  ILE  61          3HD1      ILE  61  -6.188   3.571  -1.927
  495    H    GLN  62           H        GLN  62 -10.679   2.532  -5.614
  496    HA   GLN  62           HA       GLN  62 -12.958   2.342  -3.764
  497   1HB   GLN  62          2HB       GLN  62 -12.678   2.003  -6.718
  498   2HB   GLN  62          1HB       GLN  62 -13.923   1.083  -5.884
  499   1HG   GLN  62          2HG       GLN  62 -15.159   2.902  -6.343
  500   2HG   GLN  62          1HG       GLN  62 -14.416   3.504  -4.861
  501   1HE2  GLN  62          1HE2      GLN  62 -13.836   5.533  -5.068
  502   2HE2  GLN  62          2HE2      GLN  62 -13.145   6.264  -6.473
  503    H    LYS  63           H        LYS  63 -14.028   0.068  -3.893
  504    HA   LYS  63           HA       LYS  63 -12.121  -1.793  -2.890
  505   1HB   LYS  63          2HB       LYS  63 -13.975  -3.235  -2.475
  506   2HB   LYS  63          1HB       LYS  63 -14.512  -1.596  -2.133
  507   1HG   LYS  63          2HG       LYS  63 -15.362  -1.655  -4.594
  508   2HG   LYS  63          1HG       LYS  63 -15.264  -3.405  -4.380
  509   1HD   LYS  63          2HD       LYS  63 -17.105  -3.445  -3.119
  510   2HD   LYS  63          1HD       LYS  63 -16.540  -2.100  -2.125
  511   1HE   LYS  63          2HE       LYS  63 -17.167  -0.826  -4.441
  512   2HE   LYS  63          1HE       LYS  63 -18.366  -2.119  -4.427
  513   1HZ   LYS  63          1HZ       LYS  63 -19.309  -1.340  -2.489
  514   2HZ   LYS  63          2HZ       LYS  63 -18.894   0.104  -3.267
  515   3HZ   LYS  63          3HZ       LYS  63 -17.926  -0.488  -2.014
  516    H    GLU  64           H        GLU  64 -11.809  -3.982  -3.695
  517    HA   GLU  64           HA       GLU  64 -11.273  -5.513  -5.289
  518   1HB   GLU  64          2HB       GLU  64 -13.313  -3.963  -6.885
  519   2HB   GLU  64          1HB       GLU  64 -12.526  -5.420  -7.474
  520   1HG   GLU  64          2HG       GLU  64 -14.262  -5.211  -5.024
  521   2HG   GLU  64          1HG       GLU  64 -14.727  -5.907  -6.576
  522    H    SER  65           H        SER  65 -10.324  -2.462  -5.268
  523    HA   SER  65           HA       SER  65  -9.173  -2.174  -7.880
  524   1HB   SER  65          2HB       SER  65  -8.642  -0.684  -5.298
  525   2HB   SER  65          1HB       SER  65  -7.995  -0.228  -6.874
  526    HG   SER  65           HG       SER  65 -10.263  -0.136  -7.557
  527    H    THR  66           H        THR  66  -6.974  -2.303  -8.442
  528    HA   THR  66           HA       THR  66  -5.354  -3.959  -6.619
  529    HB   THR  66           HB       THR  66  -5.485  -3.988  -9.635
  530    HG1  THR  66           HG1      THR  66  -6.591  -5.761  -9.299
  531   1HG2  THR  66          1HG2      THR  66  -3.729  -5.814  -9.392
  532   2HG2  THR  66          2HG2      THR  66  -3.445  -5.180  -7.771
  533   3HG2  THR  66          3HG2      THR  66  -3.172  -4.154  -9.179
  534    H    ILE  67           H        ILE  67  -3.283  -3.368  -6.209
  535    HA   ILE  67           HA       ILE  67  -2.283  -0.946  -7.561
  536    HB   ILE  67           HB       ILE  67  -1.932  -1.687  -4.653
  537   1HG1  ILE  67          2HG1      ILE  67  -3.063   0.908  -5.108
  538   2HG1  ILE  67          1HG1      ILE  67  -4.002  -0.288  -5.998
  539   1HG2  ILE  67          1HG2      ILE  67  -0.991   0.770  -4.717
  540   2HG2  ILE  67          2HG2      ILE  67  -0.643   0.351  -6.394
  541   3HG2  ILE  67          3HG2      ILE  67   0.040  -0.613  -5.084
  542   1HD1  ILE  67          1HD1      ILE  67  -3.906   0.254  -3.166
  543   2HD1  ILE  67          2HD1      ILE  67  -3.618  -1.450  -3.520
  544   3HD1  ILE  67          3HD1      ILE  67  -5.085  -0.662  -4.104
  545    H    HIS  68           H        HIS  68  -0.072  -0.827  -7.973
  546    HA   HIS  68           HA       HIS  68   1.295  -3.419  -7.934
  547   1HB   HIS  68          2HB       HIS  68   2.572  -1.196  -9.378
  548   2HB   HIS  68          1HB       HIS  68   2.263  -2.850  -9.897
  549    HD1  HIS  68           HD1      HIS  68   1.712  -0.128 -11.528
  550    HD2  HIS  68           HD2      HIS  68  -1.095  -2.538  -9.637
  551    HE1  HIS  68           HE1      HIS  68  -0.470   0.350 -12.684
  552    HE2  HIS  68           HE2      HIS  68  -2.171  -1.041 -11.451
  553    H    LEU  69           H        LEU  69   2.978  -3.795  -6.652
  554    HA   LEU  69           HA       LEU  69   4.062  -1.559  -5.096
  555   1HB   LEU  69          2HB       LEU  69   3.212  -3.353  -3.749
  556   2HB   LEU  69          1HB       LEU  69   4.118  -4.542  -4.665
  557    HG   LEU  69           HG       LEU  69   6.192  -3.158  -3.799
  558   1HD1  LEU  69          1HD1      LEU  69   5.866  -1.719  -2.133
  559   2HD1  LEU  69          2HD1      LEU  69   4.777  -2.821  -1.290
  560   3HD1  LEU  69          3HD1      LEU  69   4.156  -1.766  -2.560
  561   1HD2  LEU  69          1HD2      LEU  69   6.018  -5.444  -3.288
  562   2HD2  LEU  69          2HD2      LEU  69   4.578  -5.200  -2.300
  563   3HD2  LEU  69          3HD2      LEU  69   6.147  -4.635  -1.726
  564    H    VAL  70           H        VAL  70   6.133  -0.916  -5.270
  565    HA   VAL  70           HA       VAL  70   7.995  -2.593  -6.806
  566    HB   VAL  70           HB       VAL  70   8.556   0.188  -7.285
  567   1HG1  VAL  70          1HG1      VAL  70   9.354  -0.773  -9.117
  568   2HG1  VAL  70          2HG1      VAL  70   7.722  -1.211  -9.624
  569   3HG1  VAL  70          3HG1      VAL  70   8.653  -2.307  -8.603
  570   1HG2  VAL  70          1HG2      VAL  70   5.806  -0.741  -8.107
  571   2HG2  VAL  70          2HG2      VAL  70   6.616   0.697  -8.729
  572   3HG2  VAL  70          3HG2      VAL  70   6.189   0.595  -7.021
  573    H    LEU  71           H        LEU  71  10.279  -1.892  -6.546
  574    HA   LEU  71           HA       LEU  71  10.769  -1.252  -3.745
  575   1HB   LEU  71          2HB       LEU  71  12.000  -2.929  -5.681
  576   2HB   LEU  71          1HB       LEU  71  13.181  -1.728  -5.191
  577    HG   LEU  71           HG       LEU  71  13.180  -3.908  -3.897
  578   1HD1  LEU  71          1HD1      LEU  71  14.417  -2.214  -2.921
  579   2HD1  LEU  71          2HD1      LEU  71  13.266  -2.628  -1.651
  580   3HD1  LEU  71          3HD1      LEU  71  13.002  -1.198  -2.648
  581   1HD2  LEU  71          1HD2      LEU  71  10.889  -2.789  -2.350
  582   2HD2  LEU  71          2HD2      LEU  71  11.497  -4.443  -2.425
  583   3HD2  LEU  71          3HD2      LEU  71  10.576  -3.780  -3.775
  584    H    ARG  72           H        ARG  72  11.507   0.651  -3.059
  585    HA   ARG  72           HA       ARG  72  12.379   2.602  -5.080
  586   1HB   ARG  72          2HB       ARG  72  10.453   3.400  -3.930
  587   2HB   ARG  72          1HB       ARG  72  11.113   2.945  -2.365
  588   1HG   ARG  72          2HG       ARG  72  12.608   4.729  -2.338
  589   2HG   ARG  72          1HG       ARG  72  12.474   4.988  -4.078
  590   1HD   ARG  72          2HD       ARG  72  10.378   5.995  -3.886
  591   2HD   ARG  72          1HD       ARG  72  10.103   5.329  -2.277
  592    HE   ARG  72           HE       ARG  72  12.312   7.187  -2.491
  593   1HH1  ARG  72          2HH1      ARG  72   8.930   6.742  -1.789
  594   2HH1  ARG  72          1HH1      ARG  72   8.798   8.199  -0.861
  595   1HH2  ARG  72          1HH2      ARG  72  12.150   9.107  -1.271
  596   2HH2  ARG  72          2HH2      ARG  72  10.628   9.544  -0.566
  597    H    LEU  73           H        LEU  73  14.430   3.236  -5.103
  598    HA   LEU  73           HA       LEU  73  16.363   2.151  -3.359
  599   1HB   LEU  73          2HB       LEU  73  16.820   4.620  -5.002
  600   2HB   LEU  73          1HB       LEU  73  17.960   3.355  -4.589
  601    HG   LEU  73           HG       LEU  73  16.032   2.010  -6.047
  602   1HD1  LEU  73          1HD1      LEU  73  15.554   4.659  -6.594
  603   2HD1  LEU  73          2HD1      LEU  73  15.112   3.295  -7.621
  604   3HD1  LEU  73          3HD1      LEU  73  16.617   4.167  -7.912
  605   1HD2  LEU  73          1HD2      LEU  73  17.840   2.309  -7.906
  606   2HD2  LEU  73          2HD2      LEU  73  18.220   1.420  -6.432
  607   3HD2  LEU  73          3HD2      LEU  73  18.752   3.092  -6.616
  608    H    ARG  74           H        ARG  74  18.073   4.333  -2.859
  609    HA   ARG  74           HA       ARG  74  16.981   6.495  -1.517
  610   1HB   ARG  74          2HB       ARG  74  16.517   4.094  -0.107
  611   2HB   ARG  74          1HB       ARG  74  17.789   4.940   0.763
  612   1HG   ARG  74          2HG       ARG  74  15.853   6.872   0.133
  613   2HG   ARG  74          1HG       ARG  74  14.977   5.453   0.712
  614   1HD   ARG  74          2HD       ARG  74  16.240   5.426   2.746
  615   2HD   ARG  74          1HD       ARG  74  17.321   6.684   2.150
  616    HE   ARG  74           HE       ARG  74  14.781   7.057   3.383
  617   1HH1  ARG  74          2HH1      ARG  74  16.943   8.371   0.990
  618   2HH1  ARG  74          1HH1      ARG  74  16.334   9.986   1.138
  619   1HH2  ARG  74          1HH2      ARG  74  13.970   9.179   3.586
  620   2HH2  ARG  74          2HH2      ARG  74  14.645  10.446   2.615
  621    H    GLY  75           H        GLY  75  18.683   7.776  -1.817
  622   1HA   GLY  75          2HA       GLY  75  20.897   8.430  -2.026
  623   2HA   GLY  75          1HA       GLY  75  20.944   7.882  -0.357
  624    H    GLY  76           HN       GLY  76  22.479   6.455   0.088
  625   1HA   GLY  76          2HA       GLY  76  23.242   4.517  -1.994
  626   2HA   GLY  76          1HA       GLY  76  24.482   5.462  -1.183
  Start of MODEL   18
    1   2H    MET   1          2H        MET   1 -14.790  -4.033   2.197
    2   3H    MET   1          3H        MET   1 -13.596  -3.800   3.372
    3   1H    MET   1          1H        MET   1 -13.594  -5.206   2.431
    4    HA   MET   1           HA       MET   1 -13.487  -3.425   0.499
    5   1HB   MET   1          2HB       MET   1 -13.447  -1.522   2.003
    6   2HB   MET   1          1HB       MET   1 -12.072  -2.189   2.868
    7   1HG   MET   1          2HG       MET   1 -10.655  -1.245   1.460
    8   2HG   MET   1          1HG       MET   1 -11.474  -1.969   0.078
    9   1HE   MET   1          1HE       MET   1 -10.027   0.919   1.068
   10   2HE   MET   1          2HE       MET   1 -10.909   2.211   0.253
   11   3HE   MET   1          3HE       MET   1 -10.254   0.865  -0.681
   12    H    GLN   2           H        GLN   2 -12.656  -5.478  -0.148
   13    HA   GLN   2           HA       GLN   2  -9.930  -6.092   0.724
   14   1HB   GLN   2          2HB       GLN   2 -10.261  -8.248  -0.417
   15   2HB   GLN   2          1HB       GLN   2 -11.504  -7.943   0.787
   16   1HG   GLN   2          2HG       GLN   2 -12.845  -8.648  -0.878
   17   2HG   GLN   2          1HG       GLN   2 -12.750  -6.951  -1.347
   18   1HE2  GLN   2          1HE2      GLN   2 -13.014  -7.215  -3.502
   19   2HE2  GLN   2          2HE2      GLN   2 -11.883  -8.033  -4.519
   20    H    VAL   3           H        VAL   3  -8.381  -5.148  -0.389
   21    HA   VAL   3           HA       VAL   3  -8.756  -4.612  -3.248
   22    HB   VAL   3           HB       VAL   3  -6.692  -3.216  -3.023
   23   1HG1  VAL   3          1HG1      VAL   3  -8.984  -2.527  -1.187
   24   2HG1  VAL   3          2HG1      VAL   3  -8.898  -2.202  -2.919
   25   3HG1  VAL   3          3HG1      VAL   3  -7.794  -1.386  -1.812
   26   1HG2  VAL   3          1HG2      VAL   3  -6.722  -2.813  -0.218
   27   2HG2  VAL   3          2HG2      VAL   3  -5.403  -3.409  -1.226
   28   3HG2  VAL   3          3HG2      VAL   3  -6.548  -4.544  -0.511
   29    H    PHE   4           H        PHE   4  -6.692  -4.820  -4.589
   30    HA   PHE   4           HA       PHE   4  -5.323  -7.331  -3.876
   31   1HB   PHE   4          2HB       PHE   4  -5.928  -6.376  -6.678
   32   2HB   PHE   4          1HB       PHE   4  -5.280  -7.942  -6.203
   33    HD1  PHE   4           HD1      PHE   4  -6.726  -9.584  -5.055
   34    HD2  PHE   4           HD2      PHE   4  -8.260  -5.926  -6.619
   35    HE1  PHE   4           HE1      PHE   4  -9.012 -10.499  -4.943
   36    HE2  PHE   4           HE2      PHE   4 -10.549  -6.834  -6.509
   37    HZ   PHE   4           HZ       PHE   4 -10.926  -9.125  -5.672
   38    H    LEU   5           H        LEU   5  -3.128  -7.468  -4.202
   39    HA   LEU   5           HA       LEU   5  -1.789  -5.019  -5.146
   40   1HB   LEU   5          2HB       LEU   5  -1.788  -5.680  -2.580
   41   2HB   LEU   5          1HB       LEU   5  -0.497  -6.750  -3.093
   42    HG   LEU   5           HG       LEU   5   0.354  -4.448  -4.212
   43   1HD1  LEU   5          1HD1      LEU   5  -1.413  -3.719  -1.919
   44   2HD1  LEU   5          2HD1      LEU   5  -1.196  -2.913  -3.472
   45   3HD1  LEU   5          3HD1      LEU   5   0.052  -2.787  -2.232
   46   1HD2  LEU   5          1HD2      LEU   5   2.086  -4.810  -2.855
   47   2HD2  LEU   5          2HD2      LEU   5   1.146  -6.141  -2.181
   48   3HD2  LEU   5          3HD2      LEU   5   1.109  -4.556  -1.409
   49    H    LYS   6           H        LYS   6  -0.191  -5.281  -6.601
   50    HA   LYS   6           HA       LYS   6   0.441  -8.030  -7.413
   51   1HB   LYS   6          2HB       LYS   6   0.474  -5.395  -8.856
   52   2HB   LYS   6          1HB       LYS   6   1.378  -6.769  -9.477
   53   1HG   LYS   6          2HG       LYS   6  -1.488  -7.159  -8.795
   54   2HG   LYS   6          1HG       LYS   6  -1.081  -6.267 -10.263
   55   1HD   LYS   6          2HD       LYS   6   0.448  -8.737  -9.904
   56   2HD   LYS   6          1HD       LYS   6  -1.291  -8.987 -10.076
   57   1HE   LYS   6          2HE       LYS   6  -0.537  -7.063 -11.996
   58   2HE   LYS   6          1HE       LYS   6   0.652  -8.363 -12.080
   59   1HZ   LYS   6          1HZ       LYS   6  -2.244  -8.461 -12.580
   60   2HZ   LYS   6          2HZ       LYS   6  -1.446  -9.858 -12.059
   61   3HZ   LYS   6          3HZ       LYS   6  -0.975  -9.104 -13.497
   62    H    THR   7           H        THR   7   2.474  -8.819  -7.330
   63    HA   THR   7           HA       THR   7   4.537  -7.062  -6.194
   64    HB   THR   7           HB       THR   7   5.681  -9.083  -5.456
   65    HG1  THR   7           HG1      THR   7   3.507 -10.461  -6.689
   66   1HG2  THR   7          1HG2      THR   7   3.875  -9.995  -3.934
   67   2HG2  THR   7          2HG2      THR   7   2.752  -8.923  -4.770
   68   3HG2  THR   7          3HG2      THR   7   4.115  -8.249  -3.879
   69    H    LEU   8           H        LEU   8   6.847  -8.035  -6.796
   70    HA   LEU   8           HA       LEU   8   7.213  -7.461  -9.549
   71   1HB   LEU   8          2HB       LEU   8   9.282  -8.826  -7.863
   72   2HB   LEU   8          1HB       LEU   8   9.509  -7.659  -9.152
   73    HG   LEU   8           HG       LEU   8   8.548  -7.122  -6.346
   74   1HD1  LEU   8          1HD1      LEU   8  10.752  -6.906  -6.047
   75   2HD1  LEU   8          2HD1      LEU   8  10.584  -5.397  -6.944
   76   3HD1  LEU   8          3HD1      LEU   8  11.077  -6.869  -7.780
   77   1HD2  LEU   8          1HD2      LEU   8   8.756  -5.154  -8.620
   78   2HD2  LEU   8          2HD2      LEU   8   8.246  -4.819  -6.965
   79   3HD2  LEU   8          3HD2      LEU   8   7.243  -5.825  -8.010
   80    H    THR   9           H        THR   9   6.283 -10.275  -7.968
   81    HA   THR   9           HA       THR   9   7.403 -12.035 -10.027
   82    HB   THR   9           HB       THR   9   6.547 -13.892  -8.613
   83    HG1  THR   9           HG1      THR   9   5.572 -13.455  -6.686
   84   1HG2  THR   9          1HG2      THR   9   8.023 -12.700  -6.515
   85   2HG2  THR   9          2HG2      THR   9   8.687 -12.089  -8.031
   86   3HG2  THR   9          3HG2      THR   9   8.597 -13.827  -7.745
   87    H    GLY  10           H        GLY  10   4.448 -10.557  -9.019
   88   1HA   GLY  10          2HA       GLY  10   2.762 -10.415 -10.832
   89   2HA   GLY  10          1HA       GLY  10   3.005 -12.140 -11.055
   90    H    LYS  11           H        LYS  11   2.884 -13.210  -8.624
   91    HA   LYS  11           HA       LYS  11   0.461 -13.848  -7.963
   92   1HB   LYS  11          2HB       LYS  11   2.781 -14.041  -6.623
   93   2HB   LYS  11          1HB       LYS  11   1.926 -12.935  -5.557
   94   1HG   LYS  11          2HG       LYS  11   0.081 -14.541  -5.386
   95   2HG   LYS  11          1HG       LYS  11   0.972 -15.657  -6.423
   96   1HD   LYS  11          2HD       LYS  11   1.188 -16.165  -4.001
   97   2HD   LYS  11          1HD       LYS  11   2.732 -15.853  -4.797
   98   1HE   LYS  11          2HE       LYS  11   3.085 -13.926  -3.655
   99   2HE   LYS  11          1HE       LYS  11   1.370 -13.523  -3.593
  100   1HZ   LYS  11          1HZ       LYS  11   1.187 -14.431  -1.589
  101   2HZ   LYS  11          2HZ       LYS  11   2.876 -14.515  -1.539
  102   3HZ   LYS  11          3HZ       LYS  11   1.978 -15.852  -2.057
  103    H    THR  12           H        THR  12  -1.310 -13.204  -6.788
  104    HA   THR  12           HA       THR  12  -1.543 -10.297  -6.339
  105    HB   THR  12           HB       THR  12  -3.767 -12.232  -7.014
  106    HG1  THR  12           HG1      THR  12  -2.226 -10.440  -8.567
  107   1HG2  THR  12          1HG2      THR  12  -4.866 -10.564  -5.877
  108   2HG2  THR  12          2HG2      THR  12  -4.857  -9.882  -7.504
  109   3HG2  THR  12          3HG2      THR  12  -3.676  -9.336  -6.312
  110    H    VAL  13           H        VAL  13  -2.033  -9.609  -4.348
  111    HA   VAL  13           HA       VAL  13  -2.894 -11.623  -2.374
  112    HB   VAL  13           HB       VAL  13  -1.802 -10.167  -0.659
  113   1HG1  VAL  13          1HG1      VAL  13  -0.526 -11.845  -2.647
  114   2HG1  VAL  13          2HG1      VAL  13  -0.290 -11.786  -0.900
  115   3HG1  VAL  13          3HG1      VAL  13   0.596 -10.679  -1.948
  116   1HG2  VAL  13          1HG2      VAL  13  -0.788  -8.740  -3.110
  117   2HG2  VAL  13          2HG2      VAL  13  -0.070  -8.574  -1.508
  118   3HG2  VAL  13          3HG2      VAL  13  -1.736  -8.063  -1.785
  119    H    THR  14           H        THR  14  -4.510 -11.111  -0.934
  120    HA   THR  14           HA       THR  14  -6.104  -8.748  -1.628
  121    HB   THR  14           HB       THR  14  -7.853  -9.962  -0.159
  122    HG1  THR  14           HG1      THR  14  -7.396 -12.343  -0.353
  123   1HG2  THR  14          1HG2      THR  14  -8.584 -10.076  -2.285
  124   2HG2  THR  14          2HG2      THR  14  -8.003 -11.739  -2.224
  125   3HG2  THR  14          3HG2      THR  14  -6.986 -10.475  -2.916
  126    H    ILE  15           H        ILE  15  -6.318  -7.088  -0.264
  127    HA   ILE  15           HA       ILE  15  -5.621  -7.482   2.567
  128    HB   ILE  15           HB       ILE  15  -4.854  -4.978   1.090
  129   1HG1  ILE  15          2HG1      ILE  15  -3.787  -7.214   0.231
  130   2HG1  ILE  15          1HG1      ILE  15  -2.765  -5.810   0.527
  131   1HG2  ILE  15          1HG2      ILE  15  -5.015  -4.877   3.533
  132   2HG2  ILE  15          2HG2      ILE  15  -3.356  -4.657   2.976
  133   3HG2  ILE  15          3HG2      ILE  15  -3.859  -6.203   3.658
  134   1HD1  ILE  15          1HD1      ILE  15  -3.191  -8.007   2.530
  135   2HD1  ILE  15          2HD1      ILE  15  -2.003  -6.704   2.590
  136   3HD1  ILE  15          3HD1      ILE  15  -1.862  -7.971   1.371
  137    H    GLU  16           H        GLU  16  -6.791  -6.290   4.040
  138    HA   GLU  16           HA       GLU  16  -9.167  -4.958   2.960
  139   1HB   GLU  16          2HB       GLU  16  -8.569  -5.999   5.736
  140   2HB   GLU  16          1HB       GLU  16 -10.066  -5.206   5.267
  141   1HG   GLU  16          2HG       GLU  16 -10.893  -7.065   4.378
  142   2HG   GLU  16          1HG       GLU  16  -9.396  -7.420   3.518
  143    H    VAL  17           H        VAL  17  -9.377  -2.818   3.049
  144    HA   VAL  17           HA       VAL  17  -7.930  -1.314   5.101
  145    HB   VAL  17           HB       VAL  17  -7.361   0.416   3.316
  146   1HG1  VAL  17          1HG1      VAL  17  -5.452  -1.287   2.452
  147   2HG1  VAL  17          2HG1      VAL  17  -6.039  -2.156   3.869
  148   3HG1  VAL  17          3HG1      VAL  17  -5.434  -0.509   4.034
  149   1HG2  VAL  17          1HG2      VAL  17  -8.039  -1.939   1.572
  150   2HG2  VAL  17          2HG2      VAL  17  -6.989  -0.626   1.039
  151   3HG2  VAL  17          3HG2      VAL  17  -8.665  -0.293   1.476
  152    H    GLU  18           H        GLU  18  -8.643   1.006   5.152
  153    HA   GLU  18           HA       GLU  18 -11.514   1.176   4.518
  154   1HB   GLU  18          2HB       GLU  18  -9.909   2.163   6.849
  155   2HB   GLU  18          1HB       GLU  18 -11.400   2.983   6.406
  156   1HG   GLU  18          2HG       GLU  18 -11.543   1.187   8.190
  157   2HG   GLU  18          1HG       GLU  18 -12.710   1.109   6.871
  158    HA   PRO  19           HA       PRO  19 -10.931   4.528   1.738
  159   1HB   PRO  19          2HB       PRO  19 -13.097   5.867   3.292
  160   2HB   PRO  19          1HB       PRO  19 -12.963   5.599   1.550
  161   1HG   PRO  19          2HG       PRO  19 -14.595   4.106   3.033
  162   2HG   PRO  19          1HG       PRO  19 -13.662   3.391   1.705
  163   1HD   PRO  19          2HD       PRO  19 -13.223   3.205   4.649
  164   2HD   PRO  19          1HD       PRO  19 -12.923   1.999   3.382
  165    H    SER  20           H        SER  20 -11.349   5.341   5.165
  166    HA   SER  20           HA       SER  20  -9.978   7.868   4.860
  167   1HB   SER  20          2HB       SER  20 -10.352   8.122   7.269
  168   2HB   SER  20          1HB       SER  20 -11.841   7.646   6.452
  169    HG   SER  20           HG       SER  20 -11.678   6.340   8.210
  170    H    ASP  21           H        ASP  21  -8.626   5.144   4.438
  171    HA   ASP  21           HA       ASP  21  -6.622   5.068   6.510
  172   1HB   ASP  21          2HB       ASP  21  -7.163   3.502   4.019
  173   2HB   ASP  21          1HB       ASP  21  -5.564   3.419   4.750
  174    H    THR  22           H        THR  22  -4.423   5.558   6.274
  175    HA   THR  22           HA       THR  22  -3.865   7.517   4.155
  176    HB   THR  22           HB       THR  22  -1.836   7.997   5.749
  177    HG1  THR  22           HG1      THR  22  -2.190   6.323   7.220
  178   1HG2  THR  22          1HG2      THR  22  -3.228   9.611   7.008
  179   2HG2  THR  22          2HG2      THR  22  -4.673   8.806   6.394
  180   3HG2  THR  22          3HG2      THR  22  -3.575   9.617   5.279
  181    H    VAL  23           H        VAL  23  -2.028   7.384   2.899
  182    HA   VAL  23           HA       VAL  23  -1.138   5.011   1.954
  183    HB   VAL  23           HB       VAL  23   0.541   7.507   2.237
  184   1HG1  VAL  23          1HG1      VAL  23   2.212   6.300   1.404
  185   2HG1  VAL  23          2HG1      VAL  23   1.265   6.121  -0.074
  186   3HG1  VAL  23          3HG1      VAL  23   1.165   4.896   1.191
  187   1HG2  VAL  23          1HG2      VAL  23  -1.495   6.599   0.246
  188   2HG2  VAL  23          2HG2      VAL  23  -0.174   7.652  -0.260
  189   3HG2  VAL  23          3HG2      VAL  23  -1.289   8.181   0.998
  190    H    GLU  24           H        GLU  24   0.329   6.817   4.637
  191    HA   GLU  24           HA       GLU  24   2.515   5.209   5.148
  192   1HB   GLU  24          2HB       GLU  24   2.480   6.083   7.409
  193   2HB   GLU  24          1HB       GLU  24   2.059   7.360   6.276
  194   1HG   GLU  24          2HG       GLU  24  -0.369   6.797   6.802
  195   2HG   GLU  24          1HG       GLU  24   0.268   5.876   8.165
  196    H    ASN  25           H        ASN  25  -0.741   4.921   6.569
  197    HA   ASN  25           HA       ASN  25  -0.250   2.622   8.082
  198   1HB   ASN  25          2HB       ASN  25  -2.596   4.128   7.189
  199   2HB   ASN  25          1HB       ASN  25  -2.911   2.407   7.386
  200   1HD2  ASN  25          1HD2      ASN  25  -3.991   4.536   8.942
  201   2HD2  ASN  25          2HD2      ASN  25  -3.470   4.296  10.571
  202    H    PHE  26           H        PHE  26  -1.478   2.979   4.775
  203    HA   PHE  26           HA       PHE  26  -2.049   0.337   4.198
  204   1HB   PHE  26          2HB       PHE  26  -2.461   2.366   2.737
  205   2HB   PHE  26          1HB       PHE  26  -0.776   2.248   2.239
  206    HD1  PHE  26           HD1      PHE  26  -1.988  -0.978   2.861
  207    HD2  PHE  26           HD2      PHE  26  -2.126   2.158  -0.025
  208    HE1  PHE  26           HE1      PHE  26  -2.616  -2.610   1.124
  209    HE2  PHE  26           HE2      PHE  26  -2.756   0.532  -1.767
  210    HZ   PHE  26           HZ       PHE  26  -3.002  -1.855  -1.193
  211    H    LYS  27           H        LYS  27   1.043   2.042   3.750
  212    HA   LYS  27           HA       LYS  27   2.479  -0.172   2.777
  213   1HB   LYS  27          2HB       LYS  27   3.521   2.229   4.293
  214   2HB   LYS  27          1HB       LYS  27   4.489   1.125   3.327
  215   1HG   LYS  27          2HG       LYS  27   3.409   1.835   1.313
  216   2HG   LYS  27          1HG       LYS  27   2.248   2.803   2.224
  217   1HD   LYS  27          2HD       LYS  27   3.824   4.352   1.438
  218   2HD   LYS  27          1HD       LYS  27   4.273   4.073   3.122
  219   1HE   LYS  27          2HE       LYS  27   5.823   2.237   2.110
  220   2HE   LYS  27          1HE       LYS  27   5.625   3.157   0.619
  221   1HZ   LYS  27          1HZ       LYS  27   7.420   3.665   2.625
  222   2HZ   LYS  27          2HZ       LYS  27   6.234   4.854   2.822
  223   3HZ   LYS  27          3HZ       LYS  27   7.031   4.694   1.339
  224    H    ALA  28           H        ALA  28   1.691   0.890   6.009
  225    HA   ALA  28           HA       ALA  28   3.575  -0.644   7.434
  226   1HB   ALA  28          1HB       ALA  28   0.990   0.673   8.100
  227   2HB   ALA  28          2HB       ALA  28   2.598   0.936   8.773
  228   3HB   ALA  28          3HB       ALA  28   1.667  -0.485   9.244
  229    H    LYS  29           H        LYS  29   0.335  -1.372   6.239
  230    HA   LYS  29           HA       LYS  29   0.115  -3.906   7.503
  231   1HB   LYS  29          2HB       LYS  29  -1.323  -2.574   5.226
  232   2HB   LYS  29          1HB       LYS  29  -1.647  -4.252   5.636
  233   1HG   LYS  29          2HG       LYS  29  -2.365  -3.634   7.843
  234   2HG   LYS  29          1HG       LYS  29  -1.897  -1.955   7.564
  235   1HD   LYS  29          2HD       LYS  29  -3.540  -2.158   5.531
  236   2HD   LYS  29          1HD       LYS  29  -4.215  -3.486   6.477
  237   1HE   LYS  29          2HE       LYS  29  -3.709  -0.988   7.955
  238   2HE   LYS  29          1HE       LYS  29  -4.976  -0.908   6.733
  239   1HZ   LYS  29          1HZ       LYS  29  -4.995  -2.192   9.288
  240   2HZ   LYS  29          2HZ       LYS  29  -5.474  -3.239   8.049
  241   3HZ   LYS  29          3HZ       LYS  29  -6.291  -1.776   8.281
  242    H    ILE  30           H        ILE  30   0.984  -2.922   4.198
  243    HA   ILE  30           HA       ILE  30   1.366  -5.411   3.062
  244    HB   ILE  30           HB       ILE  30   3.127  -3.014   2.541
  245   1HG1  ILE  30          2HG1      ILE  30   0.395  -3.709   1.445
  246   2HG1  ILE  30          1HG1      ILE  30   0.821  -2.296   2.405
  247   1HG2  ILE  30          1HG2      ILE  30   2.733  -5.620   1.257
  248   2HG2  ILE  30          2HG2      ILE  30   4.109  -4.519   1.196
  249   3HG2  ILE  30          3HG2      ILE  30   2.711  -4.243   0.155
  250   1HD1  ILE  30          1HD1      ILE  30   0.760  -1.398   0.309
  251   2HD1  ILE  30          2HD1      ILE  30   1.349  -2.871  -0.460
  252   3HD1  ILE  30          3HD1      ILE  30   2.465  -1.832   0.425
  253    H    GLN  31           H        GLN  31   3.551  -3.538   5.101
  254    HA   GLN  31           HA       GLN  31   5.853  -5.100   4.800
  255   1HB   GLN  31          2HB       GLN  31   5.763  -2.872   5.905
  256   2HB   GLN  31          1HB       GLN  31   4.964  -3.619   7.281
  257   1HG   GLN  31          2HG       GLN  31   6.906  -4.954   7.750
  258   2HG   GLN  31          1HG       GLN  31   7.703  -4.370   6.289
  259   1HE2  GLN  31          1HE2      GLN  31   5.789  -2.420   8.483
  260   2HE2  GLN  31          2HE2      GLN  31   7.092  -1.435   9.047
  261    H    ASP  32           H        ASP  32   3.129  -5.410   7.034
  262    HA   ASP  32           HA       ASP  32   4.210  -7.568   8.519
  263   1HB   ASP  32          2HB       ASP  32   2.445  -6.261   9.490
  264   2HB   ASP  32          1HB       ASP  32   1.370  -6.612   8.140
  265    H    LYS  33           H        LYS  33   3.082  -7.413   5.364
  266    HA   LYS  33           HA       LYS  33   2.266 -10.231   5.328
  267   1HB   LYS  33          2HB       LYS  33   1.737  -7.883   3.577
  268   2HB   LYS  33          1HB       LYS  33   1.772  -9.471   2.822
  269   1HG   LYS  33          2HG       LYS  33   0.198  -9.794   5.095
  270   2HG   LYS  33          1HG       LYS  33  -0.283  -8.238   4.414
  271   1HD   LYS  33          2HD       LYS  33  -1.310  -9.209   2.682
  272   2HD   LYS  33          1HD       LYS  33   0.058 -10.281   2.376
  273   1HE   LYS  33          2HE       LYS  33  -1.456 -10.956   4.784
  274   2HE   LYS  33          1HE       LYS  33  -2.404 -11.054   3.300
  275   1HZ   LYS  33          1HZ       LYS  33  -0.396 -12.372   2.426
  276   2HZ   LYS  33          2HZ       LYS  33  -1.475 -13.146   3.474
  277   3HZ   LYS  33          3HZ       LYS  33   0.005 -12.573   4.058
  278    H    GLU  34           H        GLU  34   4.379  -7.973   3.561
  279    HA   GLU  34           HA       GLU  34   5.846 -10.264   2.469
  280   1HB   GLU  34          2HB       GLU  34   6.448  -7.436   1.711
  281   2HB   GLU  34          1HB       GLU  34   6.572  -8.900   0.747
  282   1HG   GLU  34          2HG       GLU  34   4.004  -7.567   1.576
  283   2HG   GLU  34          1HG       GLU  34   4.765  -7.440  -0.010
  284    H    GLY  35           H        GLY  35   6.110  -7.749   4.806
  285   1HA   GLY  35          2HA       GLY  35   7.725  -7.466   6.441
  286   2HA   GLY  35          1HA       GLY  35   8.617  -8.805   5.735
  287    H    ILE  36           H        ILE  36   7.635  -6.097   3.785
  288    HA   ILE  36           HA       ILE  36  10.461  -5.362   3.487
  289    HB   ILE  36           HB       ILE  36   8.144  -4.644   1.691
  290   1HG1  ILE  36          2HG1      ILE  36  10.291  -6.727   1.250
  291   2HG1  ILE  36          1HG1      ILE  36   8.659  -7.098   1.796
  292   1HG2  ILE  36          1HG2      ILE  36   9.895  -3.041   1.471
  293   2HG2  ILE  36          2HG2      ILE  36   9.984  -4.119   0.079
  294   3HG2  ILE  36          3HG2      ILE  36  11.122  -4.306   1.413
  295   1HD1  ILE  36          1HD1      ILE  36   9.632  -6.711  -0.857
  296   2HD1  ILE  36          2HD1      ILE  36   8.372  -5.528  -0.506
  297   3HD1  ILE  36          3HD1      ILE  36   8.042  -7.249  -0.316
  298    HA   PRO  37           HA       PRO  37   9.706  -1.725   5.957
  299   1HB   PRO  37          2HB       PRO  37  12.102  -0.778   4.472
  300   2HB   PRO  37          1HB       PRO  37  11.803  -0.825   6.212
  301   1HG   PRO  37          2HG       PRO  37  13.439  -2.587   5.063
  302   2HG   PRO  37          1HG       PRO  37  12.351  -3.075   6.376
  303   1HD   PRO  37          2HD       PRO  37  12.110  -3.549   3.435
  304   2HD   PRO  37          1HD       PRO  37  11.685  -4.616   4.789
  305    HA   PRO  38           HA       PRO  38   7.407   0.890   3.232
  306   1HB   PRO  38          2HB       PRO  38   8.218   3.039   5.122
  307   2HB   PRO  38          1HB       PRO  38   6.604   2.568   4.579
  308   1HG   PRO  38          2HG       PRO  38   7.458   1.933   7.022
  309   2HG   PRO  38          1HG       PRO  38   6.470   0.803   6.079
  310   1HD   PRO  38          2HD       PRO  38   9.409   0.765   6.616
  311   2HD   PRO  38          1HD       PRO  38   8.266  -0.587   6.493
  312    H    ASP  39           H        ASP  39  10.611   1.813   4.351
  313    HA   ASP  39           HA       ASP  39  11.086   3.967   2.634
  314   1HB   ASP  39          2HB       ASP  39  12.488   3.026   4.626
  315   2HB   ASP  39          1HB       ASP  39  13.276   2.059   3.383
  316    H    GLN  40           H        GLN  40  10.825   0.622   1.963
  317    HA   GLN  40           HA       GLN  40  11.962   1.058  -0.722
  318   1HB   GLN  40          2HB       GLN  40  11.846  -1.488   0.902
  319   2HB   GLN  40          1HB       GLN  40  12.369  -1.401  -0.774
  320   1HG   GLN  40          2HG       GLN  40  14.311  -0.239  -0.238
  321   2HG   GLN  40          1HG       GLN  40  13.694   0.249   1.340
  322   1HE2  GLN  40          1HE2      GLN  40  15.828  -1.714  -0.144
  323   2HE2  GLN  40          2HE2      GLN  40  15.978  -2.957   1.048
  324    H    GLN  41           H        GLN  41   9.130   1.108   0.683
  325    HA   GLN  41           HA       GLN  41   7.749  -0.686  -1.176
  326   1HB   GLN  41          2HB       GLN  41   7.050   0.580   1.424
  327   2HB   GLN  41          1HB       GLN  41   5.739   0.271   0.295
  328   1HG   GLN  41          2HG       GLN  41   6.667  -2.113   0.172
  329   2HG   GLN  41          1HG       GLN  41   7.568  -1.687   1.627
  330   1HE2  GLN  41          1HE2      GLN  41   6.618  -2.459   3.358
  331   2HE2  GLN  41          2HE2      GLN  41   4.917  -2.507   3.656
  332    H    ARG  42           H        ARG  42   7.334   0.202  -3.089
  333    HA   ARG  42           HA       ARG  42   6.484   3.020  -3.189
  334   1HB   ARG  42          2HB       ARG  42   8.482   2.594  -4.501
  335   2HB   ARG  42          1HB       ARG  42   7.690   1.262  -5.333
  336   1HG   ARG  42          2HG       ARG  42   6.556   2.625  -6.727
  337   2HG   ARG  42          1HG       ARG  42   6.351   3.884  -5.507
  338   1HD   ARG  42          2HD       ARG  42   8.305   4.906  -6.034
  339   2HD   ARG  42          1HD       ARG  42   9.107   3.395  -6.457
  340    HE   ARG  42           HE       ARG  42   7.581   5.115  -8.214
  341   1HH1  ARG  42          2HH1      ARG  42   9.001   1.975  -7.714
  342   2HH1  ARG  42          1HH1      ARG  42   9.057   1.588  -9.401
  343   1HH2  ARG  42          1HH2      ARG  42   7.650   4.615 -10.439
  344   2HH2  ARG  42          2HH2      ARG  42   8.290   3.089 -10.951
  345    H    LEU  43           H        LEU  43   4.343   3.235  -3.293
  346    HA   LEU  43           HA       LEU  43   2.760   1.133  -4.579
  347   1HB   LEU  43          2HB       LEU  43   1.542   3.440  -3.130
  348   2HB   LEU  43          1HB       LEU  43   0.956   1.796  -3.295
  349    HG   LEU  43           HG       LEU  43   3.163   2.769  -1.487
  350   1HD1  LEU  43          1HD1      LEU  43   0.344   2.340  -1.174
  351   2HD1  LEU  43          2HD1      LEU  43   1.512   2.990  -0.024
  352   3HD1  LEU  43          3HD1      LEU  43   1.247   1.250  -0.124
  353   1HD2  LEU  43          1HD2      LEU  43   3.028   0.291  -0.725
  354   2HD2  LEU  43          2HD2      LEU  43   4.001   0.714  -2.135
  355   3HD2  LEU  43          3HD2      LEU  43   2.398   0.011  -2.348
  356    H    ILE  44           H        ILE  44   2.443   1.439  -6.680
  357    HA   ILE  44           HA       ILE  44   1.904   4.167  -7.649
  358    HB   ILE  44           HB       ILE  44   2.651   1.847  -9.410
  359   1HG1  ILE  44          2HG1      ILE  44   4.381   2.188  -7.619
  360   2HG1  ILE  44          1HG1      ILE  44   4.971   2.454  -9.257
  361   1HG2  ILE  44          1HG2      ILE  44   3.464   4.607 -10.030
  362   2HG2  ILE  44          2HG2      ILE  44   1.726   4.300 -10.040
  363   3HG2  ILE  44          3HG2      ILE  44   2.795   3.354 -11.076
  364   1HD1  ILE  44          1HD1      ILE  44   5.681   4.456  -8.669
  365   2HD1  ILE  44          2HD1      ILE  44   5.059   4.203  -7.037
  366   3HD1  ILE  44          3HD1      ILE  44   4.030   4.931  -8.270
  367    H    PHE  45           H        PHE  45  -0.058   4.622  -8.454
  368    HA   PHE  45           HA       PHE  45  -1.772   2.429  -9.368
  369   1HB   PHE  45          2HB       PHE  45  -2.344   2.860  -7.003
  370   2HB   PHE  45          1HB       PHE  45  -2.665   4.545  -7.399
  371    HD1  PHE  45           HD1      PHE  45  -3.597   1.447  -9.242
  372    HD2  PHE  45           HD2      PHE  45  -4.931   4.845  -7.038
  373    HE1  PHE  45           HE1      PHE  45  -5.934   0.873  -9.779
  374    HE2  PHE  45           HE2      PHE  45  -7.270   4.277  -7.571
  375    HZ   PHE  45           HZ       PHE  45  -7.772   2.288  -8.942
  376    H    ALA  46           H        ALA  46  -3.019   2.913 -11.089
  377    HA   ALA  46           HA       ALA  46  -3.443   4.047 -13.052
  378   1HB   ALA  46          1HB       ALA  46  -5.392   5.013 -12.608
  379   2HB   ALA  46          2HB       ALA  46  -4.585   6.376 -11.832
  380   3HB   ALA  46          3HB       ALA  46  -4.994   4.942 -10.891
  381    H    GLY  47           H        GLY  47  -0.784   4.529 -12.285
  382   1HA   GLY  47          2HA       GLY  47   0.880   5.886 -13.176
  383   2HA   GLY  47          1HA       GLY  47  -0.354   7.043 -13.650
  384    H    LYS  48           H        LYS  48  -1.553   7.493 -11.153
  385    HA   LYS  48           HA       LYS  48   0.258   9.396 -10.065
  386   1HB   LYS  48          2HB       LYS  48  -2.476   8.432  -9.262
  387   2HB   LYS  48          1HB       LYS  48  -1.585   9.582  -8.275
  388   1HG   LYS  48          2HG       LYS  48  -2.598  11.134  -9.514
  389   2HG   LYS  48          1HG       LYS  48  -1.405  10.717 -10.747
  390   1HD   LYS  48          2HD       LYS  48  -3.027   8.992 -11.588
  391   2HD   LYS  48          1HD       LYS  48  -4.221   9.676 -10.482
  392   1HE   LYS  48          2HE       LYS  48  -3.047  11.809 -11.944
  393   2HE   LYS  48          1HE       LYS  48  -3.506  10.551 -13.090
  394   1HZ   LYS  48          1HZ       LYS  48  -5.220  12.068 -11.230
  395   2HZ   LYS  48          2HZ       LYS  48  -5.717  10.563 -11.822
  396   3HZ   LYS  48          3HZ       LYS  48  -5.406  11.832 -12.895
  397    H    GLN  49           H        GLN  49   1.712   9.180  -8.495
  398    HA   GLN  49           HA       GLN  49   1.992   6.622  -7.166
  399   1HB   GLN  49          2HB       GLN  49   4.059   7.451  -7.856
  400   2HB   GLN  49          1HB       GLN  49   3.671   9.097  -7.375
  401   1HG   GLN  49          2HG       GLN  49   4.291   8.765  -5.223
  402   2HG   GLN  49          1HG       GLN  49   3.805   7.070  -5.227
  403   1HE2  GLN  49          1HE2      GLN  49   6.282   8.391  -4.323
  404   2HE2  GLN  49          2HE2      GLN  49   7.563   7.597  -5.168
  405    H    LEU  50           H        LEU  50   1.764   6.226  -5.002
  406    HA   LEU  50           HA       LEU  50   0.144   8.132  -3.531
  407   1HB   LEU  50          2HB       LEU  50   1.079   5.432  -2.582
  408   2HB   LEU  50          1HB       LEU  50  -0.281   6.365  -1.990
  409    HG   LEU  50           HG       LEU  50  -0.223   5.357  -4.818
  410   1HD1  LEU  50          1HD1      LEU  50  -0.459   3.249  -4.177
  411   2HD1  LEU  50          2HD1      LEU  50  -1.845   3.696  -3.182
  412   3HD1  LEU  50          3HD1      LEU  50  -0.219   3.730  -2.498
  413   1HD2  LEU  50          1HD2      LEU  50  -1.957   6.985  -3.383
  414   2HD2  LEU  50          2HD2      LEU  50  -2.750   5.411  -3.420
  415   3HD2  LEU  50          3HD2      LEU  50  -2.278   6.197  -4.927
  416    H    GLU  51           H        GLU  51   0.878   9.469  -2.021
  417    HA   GLU  51           HA       GLU  51   3.618   9.064  -1.019
  418   1HB   GLU  51          2HB       GLU  51   2.082  11.660  -0.987
  419   2HB   GLU  51          1HB       GLU  51   3.807  11.424  -0.747
  420   1HG   GLU  51          2HG       GLU  51   4.062  10.768  -3.072
  421   2HG   GLU  51          1HG       GLU  51   2.326  10.947  -3.323
  422    H    ASP  52           H        ASP  52   4.049   9.276   1.182
  423    HA   ASP  52           HA       ASP  52   2.017   8.415   2.943
  424   1HB   ASP  52          2HB       ASP  52   4.860   9.252   3.214
  425   2HB   ASP  52          1HB       ASP  52   3.875   9.242   4.675
  426    H    GLY  53           H        GLY  53   0.726  10.443   1.979
  427   1HA   GLY  53          2HA       GLY  53   0.530  12.288   4.219
  428   2HA   GLY  53          1HA       GLY  53   0.886  13.004   2.655
  429    H    ARG  54           H        ARG  54  -0.799  10.980   1.238
  430    HA   ARG  54           HA       ARG  54  -3.374  12.245   1.839
  431   1HB   ARG  54          2HB       ARG  54  -2.171  11.048  -0.631
  432   2HB   ARG  54          1HB       ARG  54  -3.921  11.146  -0.477
  433   1HG   ARG  54          2HG       ARG  54  -3.894  13.491  -0.406
  434   2HG   ARG  54          1HG       ARG  54  -2.156  13.543  -0.102
  435   1HD   ARG  54          2HD       ARG  54  -1.827  12.513  -2.365
  436   2HD   ARG  54          1HD       ARG  54  -3.551  12.746  -2.650
  437    HE   ARG  54           HE       ARG  54  -2.319  15.172  -1.848
  438   1HH1  ARG  54          2HH1      ARG  54  -2.666  13.016  -4.561
  439   2HH1  ARG  54          1HH1      ARG  54  -2.418  14.257  -5.745
  440   1HH2  ARG  54          1HH2      ARG  54  -1.992  16.813  -3.398
  441   2HH2  ARG  54          2HH2      ARG  54  -2.035  16.415  -5.083
  442    H    THR  55           H        THR  55  -5.169  10.547   0.784
  443    HA   THR  55           HA       THR  55  -4.795   8.040   2.290
  444    HB   THR  55           HB       THR  55  -7.293   8.089   2.672
  445    HG1  THR  55           HG1      THR  55  -8.334   9.656   1.716
  446   1HG2  THR  55          1HG2      THR  55  -6.412  10.496   4.071
  447   2HG2  THR  55          2HG2      THR  55  -5.238   9.181   4.139
  448   3HG2  THR  55          3HG2      THR  55  -6.885   8.924   4.713
  449    H    LEU  56           H        LEU  56  -6.301   6.284   1.569
  450    HA   LEU  56           HA       LEU  56  -5.940   5.690  -1.123
  451   1HB   LEU  56          2HB       LEU  56  -8.187   4.576   0.541
  452   2HB   LEU  56          1HB       LEU  56  -7.332   3.796  -0.776
  453    HG   LEU  56           HG       LEU  56  -6.448   4.215   2.052
  454   1HD1  LEU  56          1HD1      LEU  56  -7.320   2.037   0.449
  455   2HD1  LEU  56          2HD1      LEU  56  -6.849   2.038   2.148
  456   3HD1  LEU  56          3HD1      LEU  56  -5.637   1.762   0.898
  457   1HD2  LEU  56          1HD2      LEU  56  -4.579   3.513  -0.200
  458   2HD2  LEU  56          2HD2      LEU  56  -4.180   3.751   1.502
  459   3HD2  LEU  56          3HD2      LEU  56  -4.691   5.122   0.516
  460    H    SER  57           H        SER  57  -8.758   7.036   0.536
  461    HA   SER  57           HA       SER  57 -10.499   7.062  -1.672
  462   1HB   SER  57          2HB       SER  57 -11.943   8.335  -0.348
  463   2HB   SER  57          1HB       SER  57 -10.981   7.476   0.856
  464    HG   SER  57           HG       SER  57 -10.617   9.417   1.582
  465    H    ASP  58           H        ASP  58  -7.907   9.166  -0.721
  466    HA   ASP  58           HA       ASP  58  -8.624  11.442  -2.229
  467   1HB   ASP  58          2HB       ASP  58  -5.915  10.456  -1.313
  468   2HB   ASP  58          1HB       ASP  58  -6.202  12.037  -2.033
  469    H    TYR  59           H        TYR  59  -7.175   8.411  -3.087
  470    HA   TYR  59           HA       TYR  59  -6.443   9.421  -5.739
  471   1HB   TYR  59          2HB       TYR  59  -5.820   6.833  -4.314
  472   2HB   TYR  59          1HB       TYR  59  -5.408   7.128  -6.000
  473    HD1  TYR  59           HD1      TYR  59  -3.488   8.388  -6.587
  474    HD2  TYR  59           HD2      TYR  59  -4.785   8.266  -2.528
  475    HE1  TYR  59           HE1      TYR  59  -1.381   9.458  -5.888
  476    HE2  TYR  59           HE2      TYR  59  -2.682   9.336  -1.817
  477    HH   TYR  59           HH       TYR  59  -0.067   9.951  -4.104
  478    H    ASN  60           H        ASN  60  -9.168   8.419  -4.397
  479    HA   ASN  60           HA       ASN  60 -11.134   7.618  -5.220
  480   1HB   ASN  60          2HB       ASN  60  -9.897   8.723  -7.416
  481   2HB   ASN  60          1HB       ASN  60 -10.229   7.081  -7.956
  482   1HD2  ASN  60          1HD2      ASN  60 -11.778   7.693  -9.420
  483   2HD2  ASN  60          2HD2      ASN  60 -13.332   8.286  -8.949
  484    H    ILE  61           H        ILE  61  -9.359   5.839  -4.011
  485    HA   ILE  61           HA       ILE  61  -9.240   3.432  -5.618
  486    HB   ILE  61           HB       ILE  61  -8.475   3.987  -2.754
  487   1HG1  ILE  61          2HG1      ILE  61  -6.833   3.374  -5.222
  488   2HG1  ILE  61          1HG1      ILE  61  -6.997   4.955  -4.463
  489   1HG2  ILE  61          1HG2      ILE  61  -7.345   1.559  -3.598
  490   2HG2  ILE  61          2HG2      ILE  61  -9.058   1.480  -4.008
  491   3HG2  ILE  61          3HG2      ILE  61  -8.563   1.808  -2.347
  492   1HD1  ILE  61          1HD1      ILE  61  -4.896   3.971  -3.849
  493   2HD1  ILE  61          2HD1      ILE  61  -5.706   2.517  -3.269
  494   3HD1  ILE  61          3HD1      ILE  61  -5.941   4.051  -2.431
  495    H    GLN  62           H        GLN  62 -10.645   1.768  -5.573
  496    HA   GLN  62           HA       GLN  62 -12.983   2.035  -3.831
  497   1HB   GLN  62          2HB       GLN  62 -12.599   0.206  -6.206
  498   2HB   GLN  62          1HB       GLN  62 -14.107   0.534  -5.363
  499   1HG   GLN  62          2HG       GLN  62 -14.462   2.027  -6.974
  500   2HG   GLN  62          1HG       GLN  62 -13.321   3.039  -6.088
  501   1HE2  GLN  62          1HE2      GLN  62 -12.470   4.099  -7.810
  502   2HE2  GLN  62          2HE2      GLN  62 -11.538   3.334  -9.047
  503    H    LYS  63           H        LYS  63 -13.976  -0.341  -3.444
  504    HA   LYS  63           HA       LYS  63 -12.173  -1.564  -1.605
  505   1HB   LYS  63          2HB       LYS  63 -14.058  -3.182  -1.262
  506   2HB   LYS  63          1HB       LYS  63 -14.486  -1.493  -1.019
  507   1HG   LYS  63          2HG       LYS  63 -15.866  -1.437  -2.818
  508   2HG   LYS  63          1HG       LYS  63 -14.922  -2.625  -3.720
  509   1HD   LYS  63          2HD       LYS  63 -17.150  -3.461  -3.012
  510   2HD   LYS  63          1HD       LYS  63 -15.807  -4.421  -2.388
  511   1HE   LYS  63          2HE       LYS  63 -16.393  -4.008  -0.280
  512   2HE   LYS  63          1HE       LYS  63 -16.486  -2.273  -0.582
  513   1HZ   LYS  63          1HZ       LYS  63 -18.598  -3.464   0.142
  514   2HZ   LYS  63          2HZ       LYS  63 -18.651  -4.098  -1.424
  515   3HZ   LYS  63          3HZ       LYS  63 -18.714  -2.425  -1.189
  516    H    GLU  64           H        GLU  64 -12.243  -1.810  -4.865
  517    HA   GLU  64           HA       GLU  64 -11.120  -4.518  -4.768
  518   1HB   GLU  64          2HB       GLU  64 -13.148  -3.474  -6.741
  519   2HB   GLU  64          1HB       GLU  64 -12.160  -4.892  -7.054
  520   1HG   GLU  64          2HG       GLU  64 -13.104  -6.007  -5.117
  521   2HG   GLU  64          1HG       GLU  64 -14.061  -4.573  -4.742
  522    H    SER  65           H        SER  65 -10.090  -1.683  -4.922
  523    HA   SER  65           HA       SER  65  -8.974  -1.369  -7.535
  524   1HB   SER  65          2HB       SER  65  -8.371  -0.044  -4.885
  525   2HB   SER  65          1HB       SER  65  -7.558   0.390  -6.389
  526    HG   SER  65           HG       SER  65  -9.975   0.519  -7.091
  527    H    THR  66           H        THR  66  -6.787  -1.600  -8.157
  528    HA   THR  66           HA       THR  66  -5.246  -3.458  -6.464
  529    HB   THR  66           HB       THR  66  -5.470  -3.372  -9.475
  530    HG1  THR  66           HG1      THR  66  -5.970  -5.698  -8.912
  531   1HG2  THR  66          1HG2      THR  66  -3.274  -4.254  -7.801
  532   2HG2  THR  66          2HG2      THR  66  -3.361  -4.107  -9.556
  533   3HG2  THR  66          3HG2      THR  66  -3.931  -5.577  -8.765
  534    H    ILE  67           H        ILE  67  -3.255  -2.844  -5.906
  535    HA   ILE  67           HA       ILE  67  -2.069  -0.545  -7.321
  536    HB   ILE  67           HB       ILE  67  -1.671  -1.319  -4.429
  537   1HG1  ILE  67          2HG1      ILE  67  -2.905   0.798  -3.966
  538   2HG1  ILE  67          1HG1      ILE  67  -3.253   0.934  -5.687
  539   1HG2  ILE  67          1HG2      ILE  67  -0.712   1.132  -4.511
  540   2HG2  ILE  67          2HG2      ILE  67  -0.441   0.726  -6.205
  541   3HG2  ILE  67          3HG2      ILE  67   0.290  -0.256  -4.936
  542   1HD1  ILE  67          1HD1      ILE  67  -4.855  -0.645  -5.622
  543   2HD1  ILE  67          2HD1      ILE  67  -4.928  -0.168  -3.926
  544   3HD1  ILE  67          3HD1      ILE  67  -4.018  -1.603  -4.400
  545    H    HIS  68           H        HIS  68   0.188  -0.530  -7.641
  546    HA   HIS  68           HA       HIS  68   1.383  -3.214  -7.626
  547   1HB   HIS  68          2HB       HIS  68   2.008  -0.772  -9.294
  548   2HB   HIS  68          1HB       HIS  68   2.955  -2.255  -9.332
  549    HD1  HIS  68           HD1      HIS  68   2.298  -3.824 -11.121
  550    HD2  HIS  68           HD2      HIS  68  -0.862  -1.380  -9.978
  551    HE1  HIS  68           HE1      HIS  68   0.394  -4.429 -12.648
  552    HE2  HIS  68           HE2      HIS  68  -1.485  -2.886 -11.986
  553    H    LEU  69           H        LEU  69   3.014  -3.645  -6.301
  554    HA   LEU  69           HA       LEU  69   4.265  -1.424  -4.856
  555   1HB   LEU  69          2HB       LEU  69   3.179  -3.334  -3.620
  556   2HB   LEU  69          1HB       LEU  69   4.446  -4.372  -4.248
  557    HG   LEU  69           HG       LEU  69   6.099  -2.785  -3.123
  558   1HD1  LEU  69          1HD1      LEU  69   4.817  -0.876  -2.672
  559   2HD1  LEU  69          2HD1      LEU  69   5.049  -1.647  -1.102
  560   3HD1  LEU  69          3HD1      LEU  69   3.512  -1.817  -1.950
  561   1HD2  LEU  69          1HD2      LEU  69   5.894  -4.881  -2.145
  562   2HD2  LEU  69          2HD2      LEU  69   4.215  -4.610  -1.678
  563   3HD2  LEU  69          3HD2      LEU  69   5.514  -3.784  -0.819
  564    H    VAL  70           H        VAL  70   6.354  -0.905  -5.113
  565    HA   VAL  70           HA       VAL  70   8.057  -2.750  -6.656
  566    HB   VAL  70           HB       VAL  70   8.672   0.127  -6.884
  567   1HG1  VAL  70          1HG1      VAL  70   8.435  -2.022  -8.984
  568   2HG1  VAL  70          2HG1      VAL  70   9.889  -1.734  -8.028
  569   3HG1  VAL  70          3HG1      VAL  70   9.285  -0.482  -9.113
  570   1HG2  VAL  70          1HG2      VAL  70   6.059  -0.980  -7.694
  571   2HG2  VAL  70          2HG2      VAL  70   6.897  -0.005  -8.900
  572   3HG2  VAL  70          3HG2      VAL  70   6.524   0.679  -7.318
  573    H    LEU  71           H        LEU  71  10.010  -3.174  -5.817
  574    HA   LEU  71           HA       LEU  71  10.683  -2.694  -3.210
  575   1HB   LEU  71          2HB       LEU  71  12.005  -3.735  -5.547
  576   2HB   LEU  71          1HB       LEU  71  13.134  -2.804  -4.581
  577    HG   LEU  71           HG       LEU  71  13.096  -5.242  -4.054
  578   1HD1  LEU  71          1HD1      LEU  71  13.822  -4.688  -2.030
  579   2HD1  LEU  71          2HD1      LEU  71  12.204  -4.214  -1.510
  580   3HD1  LEU  71          3HD1      LEU  71  13.239  -3.053  -2.343
  581   1HD2  LEU  71          1HD2      LEU  71  11.172  -6.301  -3.768
  582   2HD2  LEU  71          2HD2      LEU  71  10.298  -4.786  -3.981
  583   3HD2  LEU  71          3HD2      LEU  71  10.815  -5.286  -2.370
  584    H    ARG  72           H        ARG  72  11.038  -0.557  -5.914
  585    HA   ARG  72           HA       ARG  72  11.622   1.640  -6.047
  586   1HB   ARG  72          2HB       ARG  72  10.375   1.609  -3.759
  587   2HB   ARG  72          1HB       ARG  72  11.987   1.759  -3.071
  588   1HG   ARG  72          2HG       ARG  72  11.763   3.686  -5.128
  589   2HG   ARG  72          1HG       ARG  72  10.306   3.785  -4.137
  590   1HD   ARG  72          2HD       ARG  72  12.294   3.532  -2.263
  591   2HD   ARG  72          1HD       ARG  72  13.064   4.515  -3.507
  592    HE   ARG  72           HE       ARG  72  10.703   5.753  -3.182
  593   1HH1  ARG  72          2HH1      ARG  72  13.109   4.662  -0.915
  594   2HH1  ARG  72          1HH1      ARG  72  12.762   5.898   0.248
  595   1HH2  ARG  72          1HH2      ARG  72  10.235   7.385  -1.659
  596   2HH2  ARG  72          2HH2      ARG  72  11.127   7.447  -0.175
  597    H    LEU  73           H        LEU  73  13.579  -0.695  -5.636
  598    HA   LEU  73           HA       LEU  73  15.937   0.617  -6.201
  599   1HB   LEU  73          2HB       LEU  73  16.245   1.581  -4.142
  600   2HB   LEU  73          1HB       LEU  73  15.412   0.293  -3.292
  601    HG   LEU  73           HG       LEU  73  17.408  -1.171  -3.706
  602   1HD1  LEU  73          1HD1      LEU  73  18.126   0.868  -5.460
  603   2HD1  LEU  73          2HD1      LEU  73  19.104  -0.520  -4.982
  604   3HD1  LEU  73          3HD1      LEU  73  19.255   1.005  -4.111
  605   1HD2  LEU  73          1HD2      LEU  73  17.082  -0.103  -1.560
  606   2HD2  LEU  73          2HD2      LEU  73  17.842   1.375  -2.153
  607   3HD2  LEU  73          3HD2      LEU  73  18.795  -0.097  -1.980
  608    H    ARG  74           H        ARG  74  17.224  -0.852  -7.113
  609    HA   ARG  74           HA       ARG  74  18.365  -2.835  -7.411
  610   1HB   ARG  74          2HB       ARG  74  17.712  -3.112  -4.823
  611   2HB   ARG  74          1HB       ARG  74  16.688  -4.371  -5.501
  612   1HG   ARG  74          2HG       ARG  74  18.549  -5.537  -6.381
  613   2HG   ARG  74          1HG       ARG  74  19.635  -4.182  -6.061
  614   1HD   ARG  74          2HD       ARG  74  19.824  -6.071  -4.435
  615   2HD   ARG  74          1HD       ARG  74  19.466  -4.507  -3.705
  616    HE   ARG  74           HE       ARG  74  17.017  -5.569  -4.022
  617   1HH1  ARG  74          2HH1      ARG  74  19.959  -6.823  -2.645
  618   2HH1  ARG  74          1HH1      ARG  74  19.145  -7.849  -1.512
  619   1HH2  ARG  74          1HH2      ARG  74  15.933  -6.915  -2.533
  620   2HH2  ARG  74          2HH2      ARG  74  16.856  -7.902  -1.448
  621    H    GLY  75           H        GLY  75  15.033  -3.729  -6.494
  622   1HA   GLY  75          2HA       GLY  75  14.595  -5.680  -8.380
  623   2HA   GLY  75          1HA       GLY  75  13.329  -4.646  -7.737
  624    H    GLY  76           HN       GLY  76  12.490  -3.023  -8.982
  625   1HA   GLY  76          2HA       GLY  76  13.415  -2.996 -11.779
  626   2HA   GLY  76          1HA       GLY  76  11.793  -2.582 -11.243
  Start of MODEL   19
    1   2H    MET   1          2H        MET   1 -13.493  -2.071   3.033
    2   3H    MET   1          3H        MET   1 -13.531  -3.660   2.455
    3   1H    MET   1          1H        MET   1 -14.698  -2.546   1.945
    4    HA   MET   1           HA       MET   1 -13.415  -2.310   0.162
    5   1HB   MET   1          2HB       MET   1 -13.122  -0.154   1.099
    6   2HB   MET   1          1HB       MET   1 -11.963  -0.738   2.284
    7   1HG   MET   1          2HG       MET   1 -10.458  -1.284   0.311
    8   2HG   MET   1          1HG       MET   1 -11.569  -0.318  -0.658
    9   1HE   MET   1          1HE       MET   1 -11.423   2.919  -0.085
   10   2HE   MET   1          2HE       MET   1 -11.284   1.602  -1.250
   11   3HE   MET   1          3HE       MET   1  -9.882   2.607  -0.883
   12    H    GLN   2           H        GLN   2 -12.674  -4.333  -0.395
   13    HA   GLN   2           HA       GLN   2 -10.103  -5.205   0.702
   14   1HB   GLN   2          2HB       GLN   2 -12.457  -6.568  -0.088
   15   2HB   GLN   2          1HB       GLN   2 -11.184  -7.054  -1.200
   16   1HG   GLN   2          2HG       GLN   2 -10.112  -8.248   0.353
   17   2HG   GLN   2          1HG       GLN   2 -10.373  -7.037   1.608
   18   1HE2  GLN   2          1HE2      GLN   2 -11.399  -9.999   0.269
   19   2HE2  GLN   2          2HE2      GLN   2 -12.712 -10.301   1.349
   20    H    VAL   3           H        VAL   3  -8.424  -4.368  -0.324
   21    HA   VAL   3           HA       VAL   3  -8.528  -3.998  -3.232
   22    HB   VAL   3           HB       VAL   3  -6.481  -2.656  -2.957
   23   1HG1  VAL   3          1HG1      VAL   3  -7.899  -0.963  -2.748
   24   2HG1  VAL   3          2HG1      VAL   3  -7.895  -1.190  -0.999
   25   3HG1  VAL   3          3HG1      VAL   3  -9.088  -2.024  -1.993
   26   1HG2  VAL   3          1HG2      VAL   3  -5.890  -2.020  -0.560
   27   2HG2  VAL   3          2HG2      VAL   3  -5.386  -3.617  -1.114
   28   3HG2  VAL   3          3HG2      VAL   3  -6.802  -3.450  -0.077
   29    H    PHE   4           H        PHE   4  -6.611  -4.565  -4.504
   30    HA   PHE   4           HA       PHE   4  -5.322  -7.005  -3.473
   31   1HB   PHE   4          2HB       PHE   4  -5.891  -6.290  -6.358
   32   2HB   PHE   4          1HB       PHE   4  -5.185  -7.794  -5.777
   33    HD1  PHE   4           HD1      PHE   4  -8.242  -5.699  -5.345
   34    HD2  PHE   4           HD2      PHE   4  -6.560  -9.615  -5.462
   35    HE1  PHE   4           HE1      PHE   4 -10.498  -6.670  -5.139
   36    HE2  PHE   4           HE2      PHE   4  -8.814 -10.594  -5.258
   37    HZ   PHE   4           HZ       PHE   4 -10.786  -9.120  -5.096
   38    H    LEU   5           H        LEU   5  -3.131  -7.181  -3.569
   39    HA   LEU   5           HA       LEU   5  -1.679  -4.858  -4.654
   40   1HB   LEU   5          2HB       LEU   5  -1.715  -5.520  -2.089
   41   2HB   LEU   5          1HB       LEU   5  -0.467  -6.639  -2.598
   42    HG   LEU   5           HG       LEU   5   0.425  -4.319  -3.715
   43   1HD1  LEU   5          1HD1      LEU   5   0.176  -2.527  -2.170
   44   2HD1  LEU   5          2HD1      LEU   5  -0.686  -3.555  -1.024
   45   3HD1  LEU   5          3HD1      LEU   5  -1.442  -3.114  -2.556
   46   1HD2  LEU   5          1HD2      LEU   5   1.981  -4.247  -1.773
   47   2HD2  LEU   5          2HD2      LEU   5   1.811  -5.847  -2.494
   48   3HD2  LEU   5          3HD2      LEU   5   0.981  -5.468  -0.985
   49    H    LYS   6           H        LYS   6  -0.131  -5.189  -6.137
   50    HA   LYS   6           HA       LYS   6   0.388  -7.958  -6.949
   51   1HB   LYS   6          2HB       LYS   6   0.372  -5.334  -8.345
   52   2HB   LYS   6          1HB       LYS   6   1.512  -6.540  -8.924
   53   1HG   LYS   6          2HG       LYS   6  -0.747  -8.020  -8.741
   54   2HG   LYS   6          1HG       LYS   6  -1.409  -6.437  -9.152
   55   1HD   LYS   6          2HD       LYS   6  -0.475  -6.431 -11.221
   56   2HD   LYS   6          1HD       LYS   6   0.945  -7.341 -10.700
   57   1HE   LYS   6          2HE       LYS   6  -1.351  -9.006 -10.441
   58   2HE   LYS   6          1HE       LYS   6  -1.360  -8.286 -12.051
   59   1HZ   LYS   6          1HZ       LYS   6   0.879  -9.099 -12.401
   60   2HZ   LYS   6          2HZ       LYS   6  -0.145 -10.382 -11.997
   61   3HZ   LYS   6          3HZ       LYS   6   0.920  -9.757 -10.843
   62    H    THR   7           H        THR   7   2.494  -8.725  -7.302
   63    HA   THR   7           HA       THR   7   4.581  -7.193  -5.893
   64    HB   THR   7           HB       THR   7   5.603  -9.226  -5.211
   65    HG1  THR   7           HG1      THR   7   3.852 -11.048  -6.209
   66   1HG2  THR   7          1HG2      THR   7   3.893  -8.828  -3.693
   67   2HG2  THR   7          2HG2      THR   7   3.566 -10.488  -4.193
   68   3HG2  THR   7          3HG2      THR   7   2.628  -9.160  -4.876
   69    H    LEU   8           H        LEU   8   6.852  -8.237  -6.596
   70    HA   LEU   8           HA       LEU   8   7.137  -7.516  -9.370
   71   1HB   LEU   8          2HB       LEU   8   9.194  -8.495  -7.388
   72   2HB   LEU   8          1HB       LEU   8   9.542  -7.820  -8.968
   73    HG   LEU   8           HG       LEU   8   8.498  -6.411  -6.529
   74   1HD1  LEU   8          1HD1      LEU   8  10.415  -5.031  -6.790
   75   2HD1  LEU   8          2HD1      LEU   8  10.771  -5.717  -8.376
   76   3HD1  LEU   8          3HD1      LEU   8  10.957  -6.704  -6.926
   77   1HD2  LEU   8          1HD2      LEU   8   7.113  -5.763  -8.469
   78   2HD2  LEU   8          2HD2      LEU   8   8.580  -5.300  -9.331
   79   3HD2  LEU   8          3HD2      LEU   8   8.109  -4.438  -7.866
   80    H    THR   9           H        THR   9   6.372 -10.350  -7.806
   81    HA   THR   9           HA       THR   9   7.731 -12.063  -9.758
   82    HB   THR   9           HB       THR   9   6.719 -13.928  -8.319
   83    HG1  THR   9           HG1      THR   9   6.628 -12.223  -6.157
   84   1HG2  THR   9          1HG2      THR   9   8.564 -12.274  -6.663
   85   2HG2  THR   9          2HG2      THR   9   9.112 -12.817  -8.249
   86   3HG2  THR   9          3HG2      THR   9   8.621 -13.997  -7.033
   87    H    GLY  10           H        GLY  10   4.635 -10.763  -8.962
   88   1HA   GLY  10          2HA       GLY  10   2.932 -10.716 -10.671
   89   2HA   GLY  10          1HA       GLY  10   3.472 -12.306 -11.187
   90    H    LYS  11           H        LYS  11   2.993 -11.408  -7.833
   91    HA   LYS  11           HA       LYS  11   0.833 -13.393  -7.689
   92   1HB   LYS  11          2HB       LYS  11   2.879 -13.725  -6.275
   93   2HB   LYS  11          1HB       LYS  11   2.459 -12.250  -5.414
   94   1HG   LYS  11          2HG       LYS  11   0.519 -13.209  -4.498
   95   2HG   LYS  11          1HG       LYS  11   0.571 -14.574  -5.616
   96   1HD   LYS  11          2HD       LYS  11   1.309 -15.264  -3.407
   97   2HD   LYS  11          1HD       LYS  11   2.645 -15.349  -4.556
   98   1HE   LYS  11          2HE       LYS  11   3.275 -13.018  -3.742
   99   2HE   LYS  11          1HE       LYS  11   2.148 -13.298  -2.416
  100   1HZ   LYS  11          1HZ       LYS  11   3.899 -15.507  -2.726
  101   2HZ   LYS  11          2HZ       LYS  11   3.652 -14.523  -1.373
  102   3HZ   LYS  11          3HZ       LYS  11   4.787 -14.078  -2.545
  103    H    THR  12           H        THR  12  -1.048 -12.954  -6.454
  104    HA   THR  12           HA       THR  12  -1.591 -10.080  -6.086
  105    HB   THR  12           HB       THR  12  -3.729 -12.098  -6.735
  106    HG1  THR  12           HG1      THR  12  -1.833 -10.959  -8.414
  107   1HG2  THR  12          1HG2      THR  12  -3.706  -9.180  -7.419
  108   2HG2  THR  12          2HG2      THR  12  -4.148  -9.719  -5.799
  109   3HG2  THR  12          3HG2      THR  12  -5.082 -10.260  -7.194
  110    H    VAL  13           H        VAL  13  -2.137  -9.482  -4.093
  111    HA   VAL  13           HA       VAL  13  -3.018 -11.567  -2.203
  112    HB   VAL  13           HB       VAL  13  -2.138 -10.082  -0.407
  113   1HG1  VAL  13          1HG1      VAL  13  -0.497 -11.437  -2.446
  114   2HG1  VAL  13          2HG1      VAL  13  -0.593 -11.700  -0.704
  115   3HG1  VAL  13          3HG1      VAL  13   0.370 -10.368  -1.344
  116   1HG2  VAL  13          1HG2      VAL  13  -1.136  -8.494  -2.758
  117   2HG2  VAL  13          2HG2      VAL  13  -0.481  -8.336  -1.128
  118   3HG2  VAL  13          3HG2      VAL  13  -2.172  -7.946  -1.441
  119    H    THR  14           H        THR  14  -4.495 -10.865  -0.501
  120    HA   THR  14           HA       THR  14  -6.243  -8.663  -1.390
  121    HB   THR  14           HB       THR  14  -7.462 -10.796   0.251
  122    HG1  THR  14           HG1      THR  14  -7.523 -12.278  -1.393
  123   1HG2  THR  14          1HG2      THR  14  -8.382  -9.538  -2.329
  124   2HG2  THR  14          2HG2      THR  14  -8.640  -8.803  -0.747
  125   3HG2  THR  14          3HG2      THR  14  -9.362 -10.368  -1.120
  126    H    ILE  15           H        ILE  15  -5.784  -7.027  -0.037
  127    HA   ILE  15           HA       ILE  15  -5.645  -7.600   2.847
  128    HB   ILE  15           HB       ILE  15  -4.605  -5.208   1.325
  129   1HG1  ILE  15          2HG1      ILE  15  -3.253  -7.588   2.600
  130   2HG1  ILE  15          1HG1      ILE  15  -3.182  -7.081   0.915
  131   1HG2  ILE  15          1HG2      ILE  15  -5.223  -4.377   3.422
  132   2HG2  ILE  15          2HG2      ILE  15  -3.505  -4.742   3.589
  133   3HG2  ILE  15          3HG2      ILE  15  -4.710  -5.845   4.255
  134   1HD1  ILE  15          1HD1      ILE  15  -1.142  -6.399   1.709
  135   2HD1  ILE  15          2HD1      ILE  15  -1.786  -5.953   3.290
  136   3HD1  ILE  15          3HD1      ILE  15  -2.103  -4.930   1.888
  137    H    GLU  16           H        GLU  16  -6.898  -6.448   4.292
  138    HA   GLU  16           HA       GLU  16  -9.182  -5.044   3.100
  139   1HB   GLU  16          2HB       GLU  16  -9.977  -5.347   5.619
  140   2HB   GLU  16          1HB       GLU  16 -10.145  -6.631   4.430
  141   1HG   GLU  16          2HG       GLU  16  -8.132  -7.692   5.239
  142   2HG   GLU  16          1HG       GLU  16  -7.862  -6.370   6.373
  143    H    VAL  17           H        VAL  17  -9.458  -2.925   3.362
  144    HA   VAL  17           HA       VAL  17  -8.152  -1.561   5.597
  145    HB   VAL  17           HB       VAL  17  -7.102   0.090   4.298
  146   1HG1  VAL  17          1HG1      VAL  17  -6.728  -2.617   3.041
  147   2HG1  VAL  17          2HG1      VAL  17  -5.752  -1.850   4.294
  148   3HG1  VAL  17          3HG1      VAL  17  -5.715  -1.229   2.644
  149   1HG2  VAL  17          1HG2      VAL  17  -8.454   0.817   2.625
  150   2HG2  VAL  17          2HG2      VAL  17  -8.968  -0.811   2.183
  151   3HG2  VAL  17          3HG2      VAL  17  -7.394  -0.211   1.661
  152    H    GLU  18           H        GLU  18  -8.913   0.751   5.766
  153    HA   GLU  18           HA       GLU  18 -11.785   0.829   5.162
  154   1HB   GLU  18          2HB       GLU  18 -10.092   1.938   7.349
  155   2HB   GLU  18          1HB       GLU  18 -11.549   2.817   6.907
  156   1HG   GLU  18          2HG       GLU  18 -12.414   1.475   8.509
  157   2HG   GLU  18          1HG       GLU  18 -12.623   0.409   7.120
  158    HA   PRO  19           HA       PRO  19 -10.900   3.765   1.899
  159   1HB   PRO  19          2HB       PRO  19 -13.753   4.421   2.472
  160   2HB   PRO  19          1HB       PRO  19 -12.962   4.103   0.925
  161   1HG   PRO  19          2HG       PRO  19 -14.505   2.258   2.074
  162   2HG   PRO  19          1HG       PRO  19 -13.019   1.804   1.220
  163   1HD   PRO  19          2HD       PRO  19 -13.561   1.929   4.146
  164   2HD   PRO  19          1HD       PRO  19 -12.506   0.829   3.238
  165    H    SER  20           H        SER  20  -9.545   5.104   3.136
  166    HA   SER  20           HA       SER  20  -9.832   7.671   3.376
  167   1HB   SER  20          2HB       SER  20 -10.725   8.168   5.717
  168   2HB   SER  20          1HB       SER  20 -11.918   7.699   4.506
  169    HG   SER  20           HG       SER  20 -10.742   5.963   6.421
  170    H    ASP  21           H        ASP  21  -8.389   4.908   4.433
  171    HA   ASP  21           HA       ASP  21  -6.867   5.906   6.631
  172   1HB   ASP  21          2HB       ASP  21  -6.720   3.463   4.889
  173   2HB   ASP  21          1HB       ASP  21  -5.411   3.838   6.005
  174    H    THR  22           H        THR  22  -4.433   5.954   6.530
  175    HA   THR  22           HA       THR  22  -3.646   7.635   4.284
  176    HB   THR  22           HB       THR  22  -1.604   8.086   5.629
  177    HG1  THR  22           HG1      THR  22  -2.660   7.016   7.935
  178   1HG2  THR  22          1HG2      THR  22  -3.718   8.591   7.605
  179   2HG2  THR  22          2HG2      THR  22  -4.110   9.100   5.962
  180   3HG2  THR  22          3HG2      THR  22  -2.664   9.722   6.759
  181    H    VAL  23           H        VAL  23  -1.884   7.236   2.956
  182    HA   VAL  23           HA       VAL  23  -1.441   4.665   2.074
  183    HB   VAL  23           HB       VAL  23   0.590   6.895   1.917
  184   1HG1  VAL  23          1HG1      VAL  23   0.711   5.545  -0.432
  185   2HG1  VAL  23          2HG1      VAL  23   0.333   4.239   0.690
  186   3HG1  VAL  23          3HG1      VAL  23   1.762   5.239   0.950
  187   1HG2  VAL  23          1HG2      VAL  23  -2.014   6.498   0.568
  188   2HG2  VAL  23          2HG2      VAL  23  -0.669   7.033  -0.438
  189   3HG2  VAL  23          3HG2      VAL  23  -1.154   7.987   0.963
  190    H    GLU  24           H        GLU  24   0.293   6.474   4.550
  191    HA   GLU  24           HA       GLU  24   2.492   4.830   4.925
  192   1HB   GLU  24          2HB       GLU  24   2.532   5.694   7.246
  193   2HB   GLU  24          1HB       GLU  24   2.299   6.965   6.054
  194   1HG   GLU  24          2HG       GLU  24  -0.128   6.904   6.527
  195   2HG   GLU  24          1HG       GLU  24   0.186   5.725   7.800
  196    H    ASN  25           H        ASN  25  -0.687   4.646   6.519
  197    HA   ASN  25           HA       ASN  25  -0.172   2.378   8.072
  198   1HB   ASN  25          2HB       ASN  25  -2.585   3.808   7.125
  199   2HB   ASN  25          1HB       ASN  25  -2.827   2.130   7.600
  200   1HD2  ASN  25          1HD2      ASN  25  -2.616   5.288   8.657
  201   2HD2  ASN  25          2HD2      ASN  25  -2.479   4.990  10.353
  202    H    PHE  26           H        PHE  26  -1.469   2.691   4.792
  203    HA   PHE  26           HA       PHE  26  -2.062   0.008   4.315
  204   1HB   PHE  26          2HB       PHE  26  -2.652   1.977   2.849
  205   2HB   PHE  26          1HB       PHE  26  -0.992   1.949   2.260
  206    HD1  PHE  26           HD1      PHE  26  -3.310  -0.870   2.998
  207    HD2  PHE  26           HD2      PHE  26  -1.131   1.297   0.042
  208    HE1  PHE  26           HE1      PHE  26  -3.944  -2.547   1.306
  209    HE2  PHE  26           HE2      PHE  26  -1.762  -0.376  -1.656
  210    HZ   PHE  26           HZ       PHE  26  -3.171  -2.301  -1.023
  211    H    LYS  27           H        LYS  27   0.937   1.803   3.642
  212    HA   LYS  27           HA       LYS  27   2.396  -0.317   2.557
  213   1HB   LYS  27          2HB       LYS  27   3.453   2.003   4.183
  214   2HB   LYS  27          1HB       LYS  27   4.392   0.995   3.093
  215   1HG   LYS  27          2HG       LYS  27   2.536   1.809   1.373
  216   2HG   LYS  27          1HG       LYS  27   2.479   3.170   2.496
  217   1HD   LYS  27          2HD       LYS  27   5.206   2.455   1.933
  218   2HD   LYS  27          1HD       LYS  27   4.324   2.735   0.430
  219   1HE   LYS  27          2HE       LYS  27   3.647   4.739   2.376
  220   2HE   LYS  27          1HE       LYS  27   5.397   4.653   2.172
  221   1HZ   LYS  27          1HZ       LYS  27   3.808   6.076   0.593
  222   2HZ   LYS  27          2HZ       LYS  27   3.831   4.624  -0.273
  223   3HZ   LYS  27          3HZ       LYS  27   5.280   5.422   0.076
  224    H    ALA  28           H        ALA  28   1.755   0.577   5.882
  225    HA   ALA  28           HA       ALA  28   3.698  -1.097   7.088
  226   1HB   ALA  28          1HB       ALA  28   1.904   0.804   7.977
  227   2HB   ALA  28          2HB       ALA  28   2.964  -0.181   8.987
  228   3HB   ALA  28          3HB       ALA  28   1.303  -0.695   8.687
  229    H    LYS  29           H        LYS  29   0.380  -1.589   6.039
  230    HA   LYS  29           HA       LYS  29  -0.002  -4.113   7.268
  231   1HB   LYS  29          2HB       LYS  29  -1.339  -2.674   4.993
  232   2HB   LYS  29          1HB       LYS  29  -1.777  -4.330   5.389
  233   1HG   LYS  29          2HG       LYS  29  -2.662  -3.739   7.452
  234   2HG   LYS  29          1HG       LYS  29  -1.790  -2.204   7.493
  235   1HD   LYS  29          2HD       LYS  29  -3.393  -2.129   5.189
  236   2HD   LYS  29          1HD       LYS  29  -4.414  -2.777   6.475
  237   1HE   LYS  29          2HE       LYS  29  -4.340  -0.855   7.694
  238   2HE   LYS  29          1HE       LYS  29  -2.731  -0.422   7.116
  239   1HZ   LYS  29          1HZ       LYS  29  -5.333  -0.021   5.784
  240   2HZ   LYS  29          2HZ       LYS  29  -3.895  -0.031   4.894
  241   3HZ   LYS  29          3HZ       LYS  29  -4.127   1.117   6.115
  242    H    ILE  30           H        ILE  30   1.172  -3.112   4.090
  243    HA   ILE  30           HA       ILE  30   1.358  -5.708   2.979
  244    HB   ILE  30           HB       ILE  30   2.911  -3.218   2.264
  245   1HG1  ILE  30          2HG1      ILE  30   0.646  -4.276   0.638
  246   2HG1  ILE  30          1HG1      ILE  30   0.260  -3.417   2.126
  247   1HG2  ILE  30          1HG2      ILE  30   3.567  -4.259   0.273
  248   2HG2  ILE  30          2HG2      ILE  30   2.406  -5.572   0.473
  249   3HG2  ILE  30          3HG2      ILE  30   3.825  -5.483   1.516
  250   1HD1  ILE  30          1HD1      ILE  30   1.036  -1.418   1.335
  251   2HD1  ILE  30          2HD1      ILE  30   0.414  -2.150  -0.144
  252   3HD1  ILE  30          3HD1      ILE  30   2.145  -2.175   0.192
  253    H    GLN  31           H        GLN  31   3.565  -3.732   4.874
  254    HA   GLN  31           HA       GLN  31   5.911  -5.199   4.490
  255   1HB   GLN  31          2HB       GLN  31   5.875  -2.995   5.561
  256   2HB   GLN  31          1HB       GLN  31   5.017  -3.671   6.939
  257   1HG   GLN  31          2HG       GLN  31   7.025  -5.219   7.210
  258   2HG   GLN  31          1HG       GLN  31   7.852  -4.136   6.092
  259   1HE2  GLN  31          1HE2      GLN  31   9.338  -3.436   7.587
  260   2HE2  GLN  31          2HE2      GLN  31   8.921  -2.413   8.916
  261    H    ASP  32           H        ASP  32   3.343  -5.553   6.893
  262    HA   ASP  32           HA       ASP  32   4.517  -7.647   8.360
  263   1HB   ASP  32          2HB       ASP  32   2.222  -6.138   8.580
  264   2HB   ASP  32          1HB       ASP  32   1.593  -7.743   8.220
  265    H    LYS  33           H        LYS  33   3.396  -7.638   5.204
  266    HA   LYS  33           HA       LYS  33   2.622 -10.454   5.223
  267   1HB   LYS  33          2HB       LYS  33   2.501  -8.318   3.095
  268   2HB   LYS  33          1HB       LYS  33   2.120 -10.006   2.781
  269   1HG   LYS  33          2HG       LYS  33   0.709  -8.837   5.069
  270   2HG   LYS  33          1HG       LYS  33   0.315  -8.122   3.505
  271   1HD   LYS  33          2HD       LYS  33   0.089 -10.585   2.721
  272   2HD   LYS  33          1HD       LYS  33  -0.045 -10.943   4.444
  273   1HE   LYS  33          2HE       LYS  33  -1.811  -9.110   2.828
  274   2HE   LYS  33          1HE       LYS  33  -2.251 -10.677   3.505
  275   1HZ   LYS  33          1HZ       LYS  33  -2.350  -8.137   4.726
  276   2HZ   LYS  33          2HZ       LYS  33  -1.300  -9.131   5.603
  277   3HZ   LYS  33          3HZ       LYS  33  -2.894  -9.623   5.325
  278    H    GLU  34           H        GLU  34   4.694  -8.418   3.143
  279    HA   GLU  34           HA       GLU  34   6.464 -10.747   2.800
  280   1HB   GLU  34          2HB       GLU  34   6.221  -8.310   1.030
  281   2HB   GLU  34          1HB       GLU  34   7.190  -9.741   0.710
  282   1HG   GLU  34          2HG       GLU  34   4.197  -9.775   0.988
  283   2HG   GLU  34          1HG       GLU  34   5.044  -9.616  -0.550
  284    H    GLY  35           H        GLY  35   6.577  -8.930   5.080
  285   1HA   GLY  35          2HA       GLY  35   8.026  -7.444   6.145
  286   2HA   GLY  35          1HA       GLY  35   9.150  -8.715   5.692
  287    H    ILE  36           H        ILE  36   7.678  -5.723   4.477
  288    HA   ILE  36           HA       ILE  36  10.255  -5.072   3.222
  289    HB   ILE  36           HB       ILE  36   7.528  -4.774   1.969
  290   1HG1  ILE  36          2HG1      ILE  36   9.993  -6.379   1.357
  291   2HG1  ILE  36          1HG1      ILE  36   8.322  -6.922   1.477
  292   1HG2  ILE  36          1HG2      ILE  36   8.693  -2.723   1.568
  293   2HG2  ILE  36          2HG2      ILE  36   8.741  -3.680   0.088
  294   3HG2  ILE  36          3HG2      ILE  36  10.165  -3.588   1.124
  295   1HD1  ILE  36          1HD1      ILE  36   9.721  -5.583  -0.780
  296   2HD1  ILE  36          2HD1      ILE  36   7.977  -5.391  -0.601
  297   3HD1  ILE  36          3HD1      ILE  36   8.672  -7.001  -0.782
  298    HA   PRO  37           HA       PRO  37   9.536  -1.546   5.951
  299   1HB   PRO  37          2HB       PRO  37  12.027  -0.676   4.585
  300   2HB   PRO  37          1HB       PRO  37  11.664  -0.770   6.311
  301   1HG   PRO  37          2HG       PRO  37  13.263  -2.561   5.153
  302   2HG   PRO  37          1HG       PRO  37  12.114  -3.044   6.415
  303   1HD   PRO  37          2HD       PRO  37  11.939  -3.401   3.451
  304   2HD   PRO  37          1HD       PRO  37  11.446  -4.505   4.753
  305    HA   PRO  38           HA       PRO  38   7.421   1.109   3.091
  306   1HB   PRO  38          2HB       PRO  38   8.029   3.157   5.168
  307   2HB   PRO  38          1HB       PRO  38   6.483   2.734   4.424
  308   1HG   PRO  38          2HG       PRO  38   7.055   1.953   6.905
  309   2HG   PRO  38          1HG       PRO  38   6.184   0.881   5.792
  310   1HD   PRO  38          2HD       PRO  38   9.040   0.799   6.662
  311   2HD   PRO  38          1HD       PRO  38   7.924  -0.539   6.321
  312    H    ASP  39           H        ASP  39  10.466   2.053   4.602
  313    HA   ASP  39           HA       ASP  39  11.097   4.258   3.018
  314   1HB   ASP  39          2HB       ASP  39  12.587   2.376   4.732
  315   2HB   ASP  39          1HB       ASP  39  13.550   3.176   3.494
  316    H    GLN  40           H        GLN  40  11.023   0.912   2.238
  317    HA   GLN  40           HA       GLN  40  12.352   1.476  -0.331
  318   1HB   GLN  40          2HB       GLN  40  13.202  -0.717  -0.402
  319   2HB   GLN  40          1HB       GLN  40  13.471  -0.187   1.253
  320   1HG   GLN  40          2HG       GLN  40  11.622  -1.467   2.041
  321   2HG   GLN  40          1HG       GLN  40  11.114  -1.845   0.396
  322   1HE2  GLN  40          1HE2      GLN  40  14.210  -1.972   2.130
  323   2HE2  GLN  40          2HE2      GLN  40  14.555  -3.620   1.740
  324    H    GLN  41           H        GLN  41   9.442   1.542   0.695
  325    HA   GLN  41           HA       GLN  41   8.253  -0.376  -1.174
  326   1HB   GLN  41          2HB       GLN  41   7.219   1.164   1.175
  327   2HB   GLN  41          1HB       GLN  41   6.092   0.591  -0.046
  328   1HG   GLN  41          2HG       GLN  41   7.246  -1.698   0.326
  329   2HG   GLN  41          1HG       GLN  41   7.797  -0.975   1.837
  330   1HE2  GLN  41          1HE2      GLN  41   6.604  -1.838   3.384
  331   2HE2  GLN  41          2HE2      GLN  41   4.880  -1.941   3.393
  332    H    ARG  42           H        ARG  42   7.062   0.226  -2.922
  333    HA   ARG  42           HA       ARG  42   6.588   3.074  -3.395
  334   1HB   ARG  42          2HB       ARG  42   8.716   2.597  -4.490
  335   2HB   ARG  42          1HB       ARG  42   8.000   1.234  -5.336
  336   1HG   ARG  42          2HG       ARG  42   6.944   2.546  -6.851
  337   2HG   ARG  42          1HG       ARG  42   6.715   3.873  -5.710
  338   1HD   ARG  42          2HD       ARG  42   9.151   4.346  -5.864
  339   2HD   ARG  42          1HD       ARG  42   9.270   3.114  -7.119
  340    HE   ARG  42           HE       ARG  42   7.284   4.958  -7.842
  341   1HH1  ARG  42          2HH1      ARG  42  10.739   4.766  -7.452
  342   2HH1  ARG  42          1HH1      ARG  42  11.071   5.978  -8.645
  343   1HH2  ARG  42          1HH2      ARG  42   7.710   6.555  -9.415
  344   2HH2  ARG  42          2HH2      ARG  42   9.349   6.993  -9.762
  345    H    LEU  43           H        LEU  43   4.424   3.078  -3.500
  346    HA   LEU  43           HA       LEU  43   3.075   0.957  -5.012
  347   1HB   LEU  43          2HB       LEU  43   1.747   3.040  -3.294
  348   2HB   LEU  43          1HB       LEU  43   1.088   1.510  -3.843
  349    HG   LEU  43           HG       LEU  43   3.367   1.765  -1.881
  350   1HD1  LEU  43          1HD1      LEU  43   1.696   2.495  -0.539
  351   2HD1  LEU  43          2HD1      LEU  43   1.367   0.767  -0.422
  352   3HD1  LEU  43          3HD1      LEU  43   0.432   1.769  -1.530
  353   1HD2  LEU  43          1HD2      LEU  43   3.073  -0.576  -1.508
  354   2HD2  LEU  43          2HD2      LEU  43   3.245  -0.325  -3.245
  355   3HD2  LEU  43          3HD2      LEU  43   1.651  -0.619  -2.550
  356    H    ILE  44           H        ILE  44   2.326   1.349  -6.981
  357    HA   ILE  44           HA       ILE  44   1.953   4.155  -7.807
  358    HB   ILE  44           HB       ILE  44   2.489   1.874  -9.696
  359   1HG1  ILE  44          2HG1      ILE  44   4.322   2.237  -7.939
  360   2HG1  ILE  44          1HG1      ILE  44   4.809   2.294  -9.630
  361   1HG2  ILE  44          1HG2      ILE  44   3.493   4.163 -10.791
  362   2HG2  ILE  44          2HG2      ILE  44   2.087   4.762  -9.911
  363   3HG2  ILE  44          3HG2      ILE  44   1.895   3.495 -11.122
  364   1HD1  ILE  44          1HD1      ILE  44   5.589   4.101  -7.866
  365   2HD1  ILE  44          2HD1      ILE  44   4.065   4.851  -8.343
  366   3HD1  ILE  44          3HD1      ILE  44   5.295   4.503  -9.559
  367    H    PHE  45           H        PHE  45  -0.187   4.512  -7.581
  368    HA   PHE  45           HA       PHE  45  -2.049   2.535  -8.709
  369   1HB   PHE  45          2HB       PHE  45  -2.678   2.875  -6.480
  370   2HB   PHE  45          1HB       PHE  45  -2.333   4.600  -6.547
  371    HD1  PHE  45           HD1      PHE  45  -4.817   2.032  -6.997
  372    HD2  PHE  45           HD2      PHE  45  -3.874   6.112  -7.805
  373    HE1  PHE  45           HE1      PHE  45  -7.197   2.488  -7.449
  374    HE2  PHE  45           HE2      PHE  45  -6.253   6.575  -8.259
  375    HZ   PHE  45           HZ       PHE  45  -7.916   4.761  -8.080
  376    H    ALA  46           H        ALA  46  -3.141   3.009 -10.502
  377    HA   ALA  46           HA       ALA  46  -3.778   4.126 -12.387
  378   1HB   ALA  46          1HB       ALA  46  -5.492   4.934 -10.906
  379   2HB   ALA  46          2HB       ALA  46  -4.992   6.248 -11.971
  380   3HB   ALA  46          3HB       ALA  46  -4.428   6.204 -10.301
  381    H    GLY  47           H        GLY  47  -1.131   4.161 -12.339
  382   1HA   GLY  47          2HA       GLY  47   0.747   5.272 -13.054
  383   2HA   GLY  47          1HA       GLY  47  -0.379   6.300 -13.927
  384    H    LYS  48           H        LYS  48  -0.423   6.077 -10.446
  385    HA   LYS  48           HA       LYS  48   0.983   8.642 -10.227
  386   1HB   LYS  48          2HB       LYS  48  -1.774   8.017  -9.178
  387   2HB   LYS  48          1HB       LYS  48  -0.798   9.332  -8.540
  388   1HG   LYS  48          2HG       LYS  48  -0.931   9.442 -11.418
  389   2HG   LYS  48          1HG       LYS  48  -2.542   9.428 -10.698
  390   1HD   LYS  48          2HD       LYS  48  -0.299  11.314  -9.978
  391   2HD   LYS  48          1HD       LYS  48  -1.706  11.711 -10.965
  392   1HE   LYS  48          2HE       LYS  48  -2.515  10.533  -8.465
  393   2HE   LYS  48          1HE       LYS  48  -1.459  11.918  -8.185
  394   1HZ   LYS  48          1HZ       LYS  48  -2.981  13.350  -8.984
  395   2HZ   LYS  48          2HZ       LYS  48  -4.076  12.127  -8.578
  396   3HZ   LYS  48          3HZ       LYS  48  -3.543  12.288 -10.175
  397    H    GLN  49           H        GLN  49   2.374   8.716  -8.568
  398    HA   GLN  49           HA       GLN  49   2.747   6.396  -6.936
  399   1HB   GLN  49          2HB       GLN  49   4.708   7.560  -7.630
  400   2HB   GLN  49          1HB       GLN  49   4.096   9.092  -7.020
  401   1HG   GLN  49          2HG       GLN  49   4.692   8.641  -4.886
  402   2HG   GLN  49          1HG       GLN  49   4.408   6.910  -5.053
  403   1HE2  GLN  49          1HE2      GLN  49   6.309   6.183  -4.255
  404   2HE2  GLN  49          2HE2      GLN  49   7.846   6.482  -4.988
  405    H    LEU  50           H        LEU  50   2.161   6.040  -4.870
  406    HA   LEU  50           HA       LEU  50   0.313   7.914  -3.654
  407   1HB   LEU  50          2HB       LEU  50   1.242   5.275  -2.535
  408   2HB   LEU  50          1HB       LEU  50  -0.209   6.165  -2.115
  409    HG   LEU  50           HG       LEU  50   0.335   4.760  -4.731
  410   1HD1  LEU  50          1HD1      LEU  50  -0.336   3.520  -2.522
  411   2HD1  LEU  50          2HD1      LEU  50  -1.109   3.113  -4.055
  412   3HD1  LEU  50          3HD1      LEU  50  -1.936   4.157  -2.901
  413   1HD2  LEU  50          1HD2      LEU  50  -1.365   6.968  -4.177
  414   2HD2  LEU  50          2HD2      LEU  50  -2.370   5.547  -4.453
  415   3HD2  LEU  50          3HD2      LEU  50  -1.201   6.049  -5.673
  416    H    GLU  51           H        GLU  51   0.792   9.303  -2.084
  417    HA   GLU  51           HA       GLU  51   3.464   9.167  -0.881
  418   1HB   GLU  51          2HB       GLU  51   1.527  11.390  -1.403
  419   2HB   GLU  51          1HB       GLU  51   2.717  11.568  -0.121
  420   1HG   GLU  51          2HG       GLU  51   4.519  11.256  -1.696
  421   2HG   GLU  51          1HG       GLU  51   3.366  10.949  -2.994
  422    H    ASP  52           H        ASP  52   3.722   9.614   1.389
  423    HA   ASP  52           HA       ASP  52   1.828   8.210   2.993
  424   1HB   ASP  52          2HB       ASP  52   4.076   9.889   4.078
  425   2HB   ASP  52          1HB       ASP  52   3.377   8.420   4.753
  426    H    GLY  53           H        GLY  53   1.582  11.214   1.778
  427   1HA   GLY  53          2HA       GLY  53   0.392  12.353   4.220
  428   2HA   GLY  53          1HA       GLY  53   0.923  13.285   2.827
  429    H    ARG  54           H        ARG  54  -0.473  10.721   1.459
  430    HA   ARG  54           HA       ARG  54  -3.094  12.053   1.309
  431   1HB   ARG  54          2HB       ARG  54  -2.023  10.087  -0.702
  432   2HB   ARG  54          1HB       ARG  54  -3.319  11.256  -0.905
  433   1HG   ARG  54          2HG       ARG  54  -0.709  12.420  -0.244
  434   2HG   ARG  54          1HG       ARG  54  -0.786  11.588  -1.799
  435   1HD   ARG  54          2HD       ARG  54  -1.350  13.876  -2.172
  436   2HD   ARG  54          1HD       ARG  54  -2.827  12.925  -2.327
  437    HE   ARG  54           HE       ARG  54  -3.694  14.114  -0.592
  438   1HH1  ARG  54          2HH1      ARG  54  -0.222  14.306  -0.429
  439   2HH1  ARG  54          1HH1      ARG  54  -0.215  15.402   0.912
  440   1HH2  ARG  54          1HH2      ARG  54  -3.698  15.557   1.175
  441   2HH2  ARG  54          2HH2      ARG  54  -2.191  16.113   1.824
  442    H    THR  55           H        THR  55  -4.856  10.394   0.556
  443    HA   THR  55           HA       THR  55  -4.615   7.974   2.222
  444    HB   THR  55           HB       THR  55  -6.818   8.188   3.015
  445    HG1  THR  55           HG1      THR  55  -8.352   9.269   1.975
  446   1HG2  THR  55          1HG2      THR  55  -5.292   9.739   4.120
  447   2HG2  THR  55          2HG2      THR  55  -6.916  10.422   4.034
  448   3HG2  THR  55          3HG2      THR  55  -5.665  10.978   2.921
  449    H    LEU  56           H        LEU  56  -6.393   6.344   1.636
  450    HA   LEU  56           HA       LEU  56  -6.038   5.550  -1.037
  451   1HB   LEU  56          2HB       LEU  56  -8.350   4.609   0.620
  452   2HB   LEU  56          1HB       LEU  56  -7.392   3.712  -0.543
  453    HG   LEU  56           HG       LEU  56  -6.735   4.404   2.297
  454   1HD1  LEU  56          1HD1      LEU  56  -5.885   1.835   1.472
  455   2HD1  LEU  56          2HD1      LEU  56  -7.520   2.080   0.860
  456   3HD1  LEU  56          3HD1      LEU  56  -7.189   2.255   2.583
  457   1HD2  LEU  56          1HD2      LEU  56  -4.841   4.003   0.031
  458   2HD2  LEU  56          2HD2      LEU  56  -4.437   3.353   1.619
  459   3HD2  LEU  56          3HD2      LEU  56  -4.725   5.082   1.421
  460    H    SER  57           H        SER  57  -8.845   6.990   0.598
  461    HA   SER  57           HA       SER  57 -10.530   7.033  -1.656
  462   1HB   SER  57          2HB       SER  57 -12.028   8.197  -0.335
  463   2HB   SER  57          1HB       SER  57 -11.013   7.461   0.906
  464    HG   SER  57           HG       SER  57 -11.349   9.707   1.257
  465    H    ASP  58           H        ASP  58  -8.017   9.181  -0.547
  466    HA   ASP  58           HA       ASP  58  -8.660  11.458  -2.057
  467   1HB   ASP  58          2HB       ASP  58  -6.028  10.404  -1.022
  468   2HB   ASP  58          1HB       ASP  58  -6.166  11.942  -1.868
  469    H    TYR  59           H        TYR  59  -7.210   8.433  -2.933
  470    HA   TYR  59           HA       TYR  59  -6.444   9.467  -5.566
  471   1HB   TYR  59          2HB       TYR  59  -5.820   6.898  -4.114
  472   2HB   TYR  59          1HB       TYR  59  -5.452   7.127  -5.819
  473    HD1  TYR  59           HD1      TYR  59  -3.977   9.177  -6.421
  474    HD2  TYR  59           HD2      TYR  59  -4.283   7.552  -2.491
  475    HE1  TYR  59           HE1      TYR  59  -1.843  10.250  -5.817
  476    HE2  TYR  59           HE2      TYR  59  -2.151   8.622  -1.877
  477    HH   TYR  59           HH       TYR  59  -0.496  10.822  -4.074
  478    H    ASN  60           H        ASN  60  -9.222   8.733  -4.419
  479    HA   ASN  60           HA       ASN  60 -11.172   7.843  -5.185
  480   1HB   ASN  60          2HB       ASN  60  -9.620   8.082  -7.762
  481   2HB   ASN  60          1HB       ASN  60 -11.294   7.538  -7.716
  482   1HD2  ASN  60          1HD2      ASN  60 -10.915   9.654  -9.181
  483   2HD2  ASN  60          2HD2      ASN  60 -11.435  11.103  -8.397
  484    H    ILE  61           H        ILE  61  -9.481   6.009  -3.998
  485    HA   ILE  61           HA       ILE  61  -9.295   3.660  -5.677
  486    HB   ILE  61           HB       ILE  61  -8.769   4.010  -2.723
  487   1HG1  ILE  61          2HG1      ILE  61  -6.905   3.822  -5.101
  488   2HG1  ILE  61          1HG1      ILE  61  -7.196   5.252  -4.114
  489   1HG2  ILE  61          1HG2      ILE  61  -7.923   1.685  -4.426
  490   2HG2  ILE  61          2HG2      ILE  61  -9.435   1.690  -3.519
  491   3HG2  ILE  61          3HG2      ILE  61  -7.895   1.827  -2.668
  492   1HD1  ILE  61          1HD1      ILE  61  -6.288   3.974  -2.164
  493   2HD1  ILE  61          2HD1      ILE  61  -5.124   4.331  -3.440
  494   3HD1  ILE  61          3HD1      ILE  61  -5.813   2.714  -3.302
  495    H    GLN  62           H        GLN  62 -10.677   1.972  -5.743
  496    HA   GLN  62           HA       GLN  62 -13.140   2.214  -4.177
  497   1HB   GLN  62          2HB       GLN  62 -12.440   0.808  -6.739
  498   2HB   GLN  62          1HB       GLN  62 -13.886   0.371  -5.840
  499   1HG   GLN  62          2HG       GLN  62 -14.193   2.028  -7.708
  500   2HG   GLN  62          1HG       GLN  62 -14.842   2.500  -6.138
  501   1HE2  GLN  62          1HE2      GLN  62 -12.330   3.048  -8.488
  502   2HE2  GLN  62          2HE2      GLN  62 -11.804   4.571  -7.867
  503    H    LYS  63           H        LYS  63 -14.166  -0.095  -3.786
  504    HA   LYS  63           HA       LYS  63 -12.446  -1.380  -1.912
  505   1HB   LYS  63          2HB       LYS  63 -14.464  -3.024  -1.833
  506   2HB   LYS  63          1HB       LYS  63 -14.656  -1.385  -1.223
  507   1HG   LYS  63          2HG       LYS  63 -16.071  -0.781  -2.883
  508   2HG   LYS  63          1HG       LYS  63 -15.303  -1.834  -4.074
  509   1HD   LYS  63          2HD       LYS  63 -17.183  -3.055  -3.796
  510   2HD   LYS  63          1HD       LYS  63 -16.310  -3.683  -2.397
  511   1HE   LYS  63          2HE       LYS  63 -17.386  -1.885  -1.028
  512   2HE   LYS  63          1HE       LYS  63 -18.372  -1.487  -2.435
  513   1HZ   LYS  63          1HZ       LYS  63 -18.546  -4.243  -2.003
  514   2HZ   LYS  63          2HZ       LYS  63 -19.768  -3.083  -1.853
  515   3HZ   LYS  63          3HZ       LYS  63 -18.810  -3.479  -0.517
  516    H    GLU  64           H        GLU  64 -12.474  -1.628  -5.180
  517    HA   GLU  64           HA       GLU  64 -11.458  -4.382  -5.059
  518   1HB   GLU  64          2HB       GLU  64 -13.362  -3.222  -7.090
  519   2HB   GLU  64          1HB       GLU  64 -12.432  -4.685  -7.387
  520   1HG   GLU  64          2HG       GLU  64 -13.488  -5.748  -5.459
  521   2HG   GLU  64          1HG       GLU  64 -14.423  -4.283  -5.166
  522    H    SER  65           H        SER  65 -10.416  -1.469  -5.289
  523    HA   SER  65           HA       SER  65  -9.134  -1.316  -7.827
  524   1HB   SER  65          2HB       SER  65  -8.559   0.115  -5.222
  525   2HB   SER  65          1HB       SER  65  -7.805   0.511  -6.766
  526    HG   SER  65           HG       SER  65 -10.434   0.423  -7.129
  527    H    THR  66           H        THR  66  -6.926  -1.598  -8.327
  528    HA   THR  66           HA       THR  66  -5.474  -3.365  -6.466
  529    HB   THR  66           HB       THR  66  -5.475  -3.467  -9.489
  530    HG1  THR  66           HG1      THR  66  -7.294  -4.415  -8.215
  531   1HG2  THR  66          1HG2      THR  66  -3.271  -4.003  -8.711
  532   2HG2  THR  66          2HG2      THR  66  -4.076  -5.513  -9.136
  533   3HG2  THR  66          3HG2      THR  66  -3.917  -5.045  -7.443
  534    H    ILE  67           H        ILE  67  -3.401  -2.875  -6.017
  535    HA   ILE  67           HA       ILE  67  -2.190  -0.618  -7.478
  536    HB   ILE  67           HB       ILE  67  -1.786  -1.272  -4.558
  537   1HG1  ILE  67          2HG1      ILE  67  -2.955   1.269  -4.860
  538   2HG1  ILE  67          1HG1      ILE  67  -3.879   0.193  -5.905
  539   1HG2  ILE  67          1HG2      ILE  67  -0.624   0.731  -6.425
  540   2HG2  ILE  67          2HG2      ILE  67   0.143  -0.182  -5.126
  541   3HG2  ILE  67          3HG2      ILE  67  -0.889   1.197  -4.744
  542   1HD1  ILE  67          1HD1      ILE  67  -4.942   0.227  -3.792
  543   2HD1  ILE  67          2HD1      ILE  67  -3.420  -0.069  -2.950
  544   3HD1  ILE  67          3HD1      ILE  67  -4.139  -1.335  -3.945
  545    H    HIS  68           H        HIS  68   0.049  -0.665  -7.825
  546    HA   HIS  68           HA       HIS  68   1.196  -3.362  -7.750
  547   1HB   HIS  68          2HB       HIS  68   1.670  -0.938  -9.443
  548   2HB   HIS  68          1HB       HIS  68   2.948  -2.135  -9.277
  549    HD1  HIS  68           HD1      HIS  68   2.621  -4.390 -10.448
  550    HD2  HIS  68           HD2      HIS  68  -0.596  -1.797 -10.887
  551    HE1  HIS  68           HE1      HIS  68   1.176  -5.409 -12.236
  552    HE2  HIS  68           HE2      HIS  68  -0.716  -3.776 -12.549
  553    H    LEU  69           H        LEU  69   2.918  -3.864  -6.536
  554    HA   LEU  69           HA       LEU  69   4.071  -1.738  -4.877
  555   1HB   LEU  69          2HB       LEU  69   3.138  -3.544  -3.606
  556   2HB   LEU  69          1HB       LEU  69   4.003  -4.734  -4.561
  557    HG   LEU  69           HG       LEU  69   6.146  -3.666  -3.655
  558   1HD1  LEU  69          1HD1      LEU  69   6.088  -2.229  -1.875
  559   2HD1  LEU  69          2HD1      LEU  69   4.478  -2.742  -1.370
  560   3HD1  LEU  69          3HD1      LEU  69   4.669  -1.687  -2.770
  561   1HD2  LEU  69          1HD2      LEU  69   4.666  -5.774  -2.827
  562   2HD2  LEU  69          2HD2      LEU  69   4.745  -4.821  -1.346
  563   3HD2  LEU  69          3HD2      LEU  69   6.230  -5.330  -2.146
  564    H    VAL  70           H        VAL  70   6.141  -1.133  -5.068
  565    HA   VAL  70           HA       VAL  70   7.979  -2.849  -6.593
  566    HB   VAL  70           HB       VAL  70   8.450   0.015  -6.987
  567   1HG1  VAL  70          1HG1      VAL  70   8.337  -2.433  -8.733
  568   2HG1  VAL  70          2HG1      VAL  70   9.756  -1.526  -8.209
  569   3HG1  VAL  70          3HG1      VAL  70   8.636  -0.817  -9.372
  570   1HG2  VAL  70          1HG2      VAL  70   6.651   0.079  -8.816
  571   2HG2  VAL  70          2HG2      VAL  70   6.138   0.326  -7.147
  572   3HG2  VAL  70          3HG2      VAL  70   5.887  -1.237  -7.923
  573    H    LEU  71           H        LEU  71  10.224  -2.482  -6.167
  574    HA   LEU  71           HA       LEU  71  10.726  -1.815  -3.415
  575   1HB   LEU  71          2HB       LEU  71  12.231  -3.043  -5.644
  576   2HB   LEU  71          1HB       LEU  71  13.195  -2.178  -4.462
  577    HG   LEU  71           HG       LEU  71  13.071  -4.557  -3.931
  578   1HD1  LEU  71          1HD1      LEU  71  13.076  -2.689  -2.165
  579   2HD1  LEU  71          2HD1      LEU  71  12.680  -4.330  -1.649
  580   3HD1  LEU  71          3HD1      LEU  71  11.395  -3.146  -1.888
  581   1HD2  LEU  71          1HD2      LEU  71  11.181  -5.773  -3.862
  582   2HD2  LEU  71          2HD2      LEU  71  10.549  -4.486  -4.889
  583   3HD2  LEU  71          3HD2      LEU  71  10.237  -4.462  -3.153
  584    H    ARG  72           H        ARG  72  12.945  -0.896  -5.956
  585    HA   ARG  72           HA       ARG  72  12.604   1.650  -6.548
  586   1HB   ARG  72          2HB       ARG  72  13.744   2.976  -4.712
  587   2HB   ARG  72          1HB       ARG  72  12.115   2.411  -4.365
  588   1HG   ARG  72          2HG       ARG  72  12.824   0.924  -2.778
  589   2HG   ARG  72          1HG       ARG  72  14.409   0.717  -3.523
  590   1HD   ARG  72          2HD       ARG  72  14.217   2.026  -1.297
  591   2HD   ARG  72          1HD       ARG  72  15.250   2.655  -2.581
  592    HE   ARG  72           HE       ARG  72  12.565   3.679  -2.652
  593   1HH1  ARG  72          2HH1      ARG  72  15.745   4.075  -1.292
  594   2HH1  ARG  72          1HH1      ARG  72  15.534   5.763  -0.959
  595   1HH2  ARG  72          1HH2      ARG  72  12.277   5.900  -2.222
  596   2HH2  ARG  72          2HH2      ARG  72  13.562   6.800  -1.489
  597    H    LEU  73           H        LEU  73  14.209   2.113  -7.891
  598    HA   LEU  73           HA       LEU  73  16.741   0.696  -7.600
  599   1HB   LEU  73          2HB       LEU  73  15.187   1.794  -9.811
  600   2HB   LEU  73          1HB       LEU  73  16.890   2.193  -9.921
  601    HG   LEU  73           HG       LEU  73  16.006  -0.640  -9.464
  602   1HD1  LEU  73          1HD1      LEU  73  15.081   0.715 -11.605
  603   2HD1  LEU  73          2HD1      LEU  73  15.469  -1.005 -11.619
  604   3HD1  LEU  73          3HD1      LEU  73  16.641   0.168 -12.220
  605   1HD2  LEU  73          1HD2      LEU  73  18.455   0.481  -9.398
  606   2HD2  LEU  73          2HD2      LEU  73  18.346   0.058 -11.107
  607   3HD2  LEU  73          3HD2      LEU  73  18.150  -1.190  -9.876
  608    H    ARG  74           H        ARG  74  17.868   1.798  -6.037
  609    HA   ARG  74           HA       ARG  74  18.068   4.636  -5.954
  610   1HB   ARG  74          2HB       ARG  74  19.456   2.374  -4.567
  611   2HB   ARG  74          1HB       ARG  74  20.113   3.999  -4.439
  612   1HG   ARG  74          2HG       ARG  74  17.571   4.530  -3.826
  613   2HG   ARG  74          1HG       ARG  74  17.647   2.851  -3.288
  614   1HD   ARG  74          2HD       ARG  74  18.988   5.256  -2.216
  615   2HD   ARG  74          1HD       ARG  74  18.374   3.831  -1.378
  616    HE   ARG  74           HE       ARG  74  21.031   4.222  -2.438
  617   1HH1  ARG  74          2HH1      ARG  74  18.656   1.923  -1.345
  618   2HH1  ARG  74          1HH1      ARG  74  19.822   0.694  -0.982
  619   1HH2  ARG  74          1HH2      ARG  74  22.576   2.612  -1.964
  620   2HH2  ARG  74          2HH2      ARG  74  22.050   1.086  -1.333
  621    H    GLY  75           H        GLY  75  19.330   5.947  -7.102
  622   1HA   GLY  75          2HA       GLY  75  21.914   5.904  -7.723
  623   2HA   GLY  75          1HA       GLY  75  21.287   4.777  -8.917
  624    H    GLY  76           HN       GLY  76  20.131   5.536 -10.665
  625   1HA   GLY  76          2HA       GLY  76  18.751   7.557 -11.405
  626   2HA   GLY  76          1HA       GLY  76  20.197   8.465 -10.994
  Start of MODEL   20
    1   2H    MET   1          2H        MET   1 -11.638  -2.041   2.802
    2   3H    MET   1          3H        MET   1 -12.999  -2.687   3.571
    3   1H    MET   1          1H        MET   1 -13.163  -1.360   2.533
    4    HA   MET   1           HA       MET   1 -13.703  -3.809   1.777
    5   1HB   MET   1          2HB       MET   1 -13.484  -3.062  -0.494
    6   2HB   MET   1          1HB       MET   1 -13.967  -1.684   0.484
    7   1HG   MET   1          2HG       MET   1 -11.068  -2.059   0.099
    8   2HG   MET   1          1HG       MET   1 -12.000  -1.604  -1.327
    9   1HE   MET   1          1HE       MET   1 -11.650   1.588  -1.545
   10   2HE   MET   1          2HE       MET   1 -10.642   0.146  -1.662
   11   3HE   MET   1          3HE       MET   1 -10.197   1.445  -0.556
   12    H    GLN   2           H        GLN   2 -12.656  -5.210   0.060
   13    HA   GLN   2           HA       GLN   2  -9.967  -5.906   0.989
   14   1HB   GLN   2          2HB       GLN   2 -12.200  -7.423  -0.289
   15   2HB   GLN   2          1HB       GLN   2 -10.554  -8.002  -0.509
   16   1HG   GLN   2          2HG       GLN   2 -11.581  -7.386   2.226
   17   2HG   GLN   2          1HG       GLN   2 -11.980  -8.913   1.442
   18   1HE2  GLN   2          1HE2      GLN   2 -10.313 -10.376   0.960
   19   2HE2  GLN   2          2HE2      GLN   2  -8.788 -10.301   1.768
   20    H    VAL   3           H        VAL   3  -8.383  -5.020  -0.140
   21    HA   VAL   3           HA       VAL   3  -8.703  -4.631  -3.032
   22    HB   VAL   3           HB       VAL   3  -6.749  -3.150  -2.885
   23   1HG1  VAL   3          1HG1      VAL   3  -7.908  -1.337  -2.082
   24   2HG1  VAL   3          2HG1      VAL   3  -8.553  -2.224  -0.700
   25   3HG1  VAL   3          3HG1      VAL   3  -9.221  -2.492  -2.311
   26   1HG2  VAL   3          1HG2      VAL   3  -6.847  -3.289   0.096
   27   2HG2  VAL   3          2HG2      VAL   3  -5.542  -2.749  -0.961
   28   3HG2  VAL   3          3HG2      VAL   3  -5.894  -4.469  -0.802
   29    H    PHE   4           H        PHE   4  -6.600  -4.891  -4.307
   30    HA   PHE   4           HA       PHE   4  -5.192  -7.315  -3.396
   31   1HB   PHE   4          2HB       PHE   4  -5.687  -6.664  -6.295
   32   2HB   PHE   4          1HB       PHE   4  -5.209  -8.202  -5.586
   33    HD1  PHE   4           HD1      PHE   4  -8.009  -5.741  -5.330
   34    HD2  PHE   4           HD2      PHE   4  -6.815  -9.833  -5.449
   35    HE1  PHE   4           HE1      PHE   4 -10.375  -6.430  -5.245
   36    HE2  PHE   4           HE2      PHE   4  -9.179 -10.529  -5.366
   37    HZ   PHE   4           HZ       PHE   4 -10.961  -8.825  -5.264
   38    H    LEU   5           H        LEU   5  -2.992  -7.413  -3.703
   39    HA   LEU   5           HA       LEU   5  -1.732  -4.970  -4.767
   40   1HB   LEU   5          2HB       LEU   5  -1.633  -5.631  -2.202
   41   2HB   LEU   5          1HB       LEU   5  -0.336  -6.672  -2.760
   42    HG   LEU   5           HG       LEU   5   0.364  -4.300  -3.909
   43   1HD1  LEU   5          1HD1      LEU   5  -1.246  -2.923  -2.918
   44   2HD1  LEU   5          2HD1      LEU   5   0.198  -2.688  -1.936
   45   3HD1  LEU   5          3HD1      LEU   5  -1.103  -3.727  -1.356
   46   1HD2  LEU   5          1HD2      LEU   5   1.741  -5.916  -2.583
   47   2HD2  LEU   5          2HD2      LEU   5   1.138  -5.136  -1.121
   48   3HD2  LEU   5          3HD2      LEU   5   2.102  -4.216  -2.277
   49    H    LYS   6           H        LYS   6  -0.212  -5.201  -6.298
   50    HA   LYS   6           HA       LYS   6   0.443  -7.929  -7.145
   51   1HB   LYS   6          2HB       LYS   6  -0.364  -5.691  -8.573
   52   2HB   LYS   6          1HB       LYS   6   1.364  -5.783  -8.887
   53   1HG   LYS   6          2HG       LYS   6   1.102  -7.490 -10.278
   54   2HG   LYS   6          1HG       LYS   6   0.119  -8.377  -9.112
   55   1HD   LYS   6          2HD       LYS   6  -1.797  -6.860  -9.785
   56   2HD   LYS   6          1HD       LYS   6  -0.781  -6.330 -11.125
   57   1HE   LYS   6          2HE       LYS   6  -1.732  -9.137 -10.569
   58   2HE   LYS   6          1HE       LYS   6  -2.257  -8.083 -11.881
   59   1HZ   LYS   6          1HZ       LYS   6   0.594  -8.512 -11.771
   60   2HZ   LYS   6          2HZ       LYS   6  -0.459  -8.575 -13.093
   61   3HZ   LYS   6          3HZ       LYS   6  -0.301  -9.916 -12.075
   62    H    THR   7           H        THR   7   2.488  -8.704  -7.173
   63    HA   THR   7           HA       THR   7   4.573  -6.967  -6.041
   64    HB   THR   7           HB       THR   7   5.767  -9.136  -5.551
   65    HG1  THR   7           HG1      THR   7   4.609 -11.031  -5.744
   66   1HG2  THR   7          1HG2      THR   7   4.687  -8.071  -3.731
   67   2HG2  THR   7          2HG2      THR   7   4.184  -9.761  -3.667
   68   3HG2  THR   7          3HG2      THR   7   3.088  -8.538  -4.310
   69    H    LEU   8           H        LEU   8   6.867  -7.919  -6.723
   70    HA   LEU   8           HA       LEU   8   7.090  -7.387  -9.524
   71   1HB   LEU   8          2HB       LEU   8   9.272  -8.436  -7.736
   72   2HB   LEU   8          1HB       LEU   8   9.442  -7.489  -9.202
   73    HG   LEU   8           HG       LEU   8   8.351  -6.504  -6.566
   74   1HD1  LEU   8          1HD1      LEU   8  10.917  -6.916  -7.075
   75   2HD1  LEU   8          2HD1      LEU   8  10.357  -5.505  -6.175
   76   3HD1  LEU   8          3HD1      LEU   8  10.747  -5.361  -7.890
   77   1HD2  LEU   8          1HD2      LEU   8   7.689  -4.587  -7.544
   78   2HD2  LEU   8          2HD2      LEU   8   7.568  -5.597  -8.984
   79   3HD2  LEU   8          3HD2      LEU   8   9.003  -4.608  -8.719
   80    H    THR   9           H        THR   9   6.372 -10.160  -7.809
   81    HA   THR   9           HA       THR   9   7.618 -11.954  -9.764
   82    HB   THR   9           HB       THR   9   6.603 -13.741  -8.184
   83    HG1  THR   9           HG1      THR   9   6.248 -12.960  -6.065
   84   1HG2  THR   9          1HG2      THR   9   8.923 -13.597  -8.172
   85   2HG2  THR   9          2HG2      THR   9   8.513 -13.258  -6.490
   86   3HG2  THR   9          3HG2      THR   9   8.917 -11.934  -7.584
   87    H    GLY  10           H        GLY  10   4.618 -10.509  -8.972
   88   1HA   GLY  10          2HA       GLY  10   2.791 -10.523 -10.493
   89   2HA   GLY  10          1HA       GLY  10   3.326 -12.091 -11.078
   90    H    LYS  11           H        LYS  11   3.098 -11.384  -7.668
   91    HA   LYS  11           HA       LYS  11   0.951 -13.372  -7.467
   92   1HB   LYS  11          2HB       LYS  11   3.329 -12.983  -6.017
   93   2HB   LYS  11          1HB       LYS  11   2.026 -12.544  -4.922
   94   1HG   LYS  11          2HG       LYS  11   1.040 -14.840  -5.909
   95   2HG   LYS  11          1HG       LYS  11   2.770 -15.169  -6.028
   96   1HD   LYS  11          2HD       LYS  11   1.407 -14.192  -3.522
   97   2HD   LYS  11          1HD       LYS  11   1.721 -15.893  -3.877
   98   1HE   LYS  11          2HE       LYS  11   4.132 -15.375  -4.044
   99   2HE   LYS  11          1HE       LYS  11   3.781 -13.707  -3.592
  100   1HZ   LYS  11          1HZ       LYS  11   4.036 -16.018  -1.934
  101   2HZ   LYS  11          2HZ       LYS  11   2.578 -15.210  -1.652
  102   3HZ   LYS  11          3HZ       LYS  11   4.045 -14.381  -1.505
  103    H    THR  12           H        THR  12  -1.015 -12.894  -6.678
  104    HA   THR  12           HA       THR  12  -1.554 -10.081  -6.045
  105    HB   THR  12           HB       THR  12  -3.470 -12.310  -6.760
  106    HG1  THR  12           HG1      THR  12  -2.396 -11.659  -8.591
  107   1HG2  THR  12          1HG2      THR  12  -4.331 -10.477  -5.212
  108   2HG2  THR  12          2HG2      THR  12  -5.222 -10.729  -6.713
  109   3HG2  THR  12          3HG2      THR  12  -4.103  -9.373  -6.569
  110    H    VAL  13           H        VAL  13  -1.887  -9.478  -4.014
  111    HA   VAL  13           HA       VAL  13  -2.633 -11.539  -2.044
  112    HB   VAL  13           HB       VAL  13  -1.511 -10.226  -0.341
  113   1HG1  VAL  13          1HG1      VAL  13  -0.230 -11.868  -1.717
  114   2HG1  VAL  13          2HG1      VAL  13   0.759 -10.597  -0.997
  115   3HG1  VAL  13          3HG1      VAL  13   0.331 -10.520  -2.706
  116   1HG2  VAL  13          1HG2      VAL  13  -1.605  -8.173  -2.379
  117   2HG2  VAL  13          2HG2      VAL  13   0.010  -8.346  -1.692
  118   3HG2  VAL  13          3HG2      VAL  13  -1.367  -8.026  -0.638
  119    H    THR  14           H        THR  14  -4.363 -11.213  -0.749
  120    HA   THR  14           HA       THR  14  -5.988  -8.835  -1.297
  121    HB   THR  14           HB       THR  14  -7.301 -10.805   0.362
  122    HG1  THR  14           HG1      THR  14  -7.247 -12.532  -1.061
  123   1HG2  THR  14          1HG2      THR  14  -8.798 -10.812  -1.760
  124   2HG2  THR  14          2HG2      THR  14  -7.760  -9.488  -2.290
  125   3HG2  THR  14          3HG2      THR  14  -8.685  -9.340  -0.795
  126    H    ILE  15           H        ILE  15  -6.341  -7.320   0.198
  127    HA   ILE  15           HA       ILE  15  -5.874  -7.944   3.023
  128    HB   ILE  15           HB       ILE  15  -4.668  -5.561   1.612
  129   1HG1  ILE  15          2HG1      ILE  15  -3.390  -7.985   2.896
  130   2HG1  ILE  15          1HG1      ILE  15  -3.426  -7.616   1.174
  131   1HG2  ILE  15          1HG2      ILE  15  -5.375  -4.899   3.795
  132   2HG2  ILE  15          2HG2      ILE  15  -3.626  -5.125   3.837
  133   3HG2  ILE  15          3HG2      ILE  15  -4.691  -6.356   4.516
  134   1HD1  ILE  15          1HD1      ILE  15  -1.829  -6.349   3.345
  135   2HD1  ILE  15          2HD1      ILE  15  -2.208  -5.441   1.881
  136   3HD1  ILE  15          3HD1      ILE  15  -1.312  -6.956   1.772
  137    H    GLU  16           H        GLU  16  -6.864  -6.436   4.499
  138    HA   GLU  16           HA       GLU  16  -9.233  -5.177   3.324
  139   1HB   GLU  16          2HB       GLU  16 -10.059  -5.143   5.691
  140   2HB   GLU  16          1HB       GLU  16  -9.763  -6.752   5.045
  141   1HG   GLU  16          2HG       GLU  16  -7.368  -5.910   6.264
  142   2HG   GLU  16          1HG       GLU  16  -8.680  -5.517   7.375
  143    H    VAL  17           H        VAL  17  -9.366  -3.049   3.144
  144    HA   VAL  17           HA       VAL  17  -7.926  -1.339   5.032
  145    HB   VAL  17           HB       VAL  17  -6.924   0.020   3.383
  146   1HG1  VAL  17          1HG1      VAL  17  -5.487  -1.536   2.138
  147   2HG1  VAL  17          2HG1      VAL  17  -6.582  -2.857   2.544
  148   3HG1  VAL  17          3HG1      VAL  17  -5.691  -2.026   3.819
  149   1HG2  VAL  17          1HG2      VAL  17  -8.817  -1.341   1.541
  150   2HG2  VAL  17          2HG2      VAL  17  -7.279  -0.779   0.886
  151   3HG2  VAL  17          3HG2      VAL  17  -8.379   0.362   1.658
  152    H    GLU  18           H        GLU  18  -8.620   0.975   4.824
  153    HA   GLU  18           HA       GLU  18 -11.424   1.153   3.940
  154   1HB   GLU  18          2HB       GLU  18 -10.198   2.415   6.399
  155   2HB   GLU  18          1HB       GLU  18 -11.854   2.643   5.853
  156   1HG   GLU  18          2HG       GLU  18 -12.201   0.190   6.118
  157   2HG   GLU  18          1HG       GLU  18 -10.598   0.099   6.845
  158    HA   PRO  19           HA       PRO  19 -10.334   4.579   1.404
  159   1HB   PRO  19          2HB       PRO  19 -12.820   5.835   2.460
  160   2HB   PRO  19          1HB       PRO  19 -12.321   5.560   0.789
  161   1HG   PRO  19          2HG       PRO  19 -14.191   4.036   1.918
  162   2HG   PRO  19          1HG       PRO  19 -12.987   3.336   0.818
  163   1HD   PRO  19          2HD       PRO  19 -13.138   3.208   3.799
  164   2HD   PRO  19          1HD       PRO  19 -12.607   1.971   2.641
  165    H    SER  20           H        SER  20 -11.340   5.130   4.733
  166    HA   SER  20           HA       SER  20 -10.239   7.789   4.838
  167   1HB   SER  20          2HB       SER  20 -10.643   7.334   7.399
  168   2HB   SER  20          1HB       SER  20 -12.012   7.592   6.315
  169    HG   SER  20           HG       SER  20 -12.202   5.734   7.722
  170    H    ASP  21           H        ASP  21  -8.750   4.936   4.584
  171    HA   ASP  21           HA       ASP  21  -6.779   5.216   6.677
  172   1HB   ASP  21          2HB       ASP  21  -7.070   3.325   4.345
  173   2HB   ASP  21          1HB       ASP  21  -5.661   3.309   5.399
  174    H    THR  22           H        THR  22  -4.569   5.669   6.369
  175    HA   THR  22           HA       THR  22  -4.052   7.403   4.062
  176    HB   THR  22           HB       THR  22  -2.361   8.471   5.316
  177    HG1  THR  22           HG1      THR  22  -2.556   6.275   7.123
  178   1HG2  THR  22          1HG2      THR  22  -4.790   7.804   6.938
  179   2HG2  THR  22          2HG2      THR  22  -4.354   9.322   6.153
  180   3HG2  THR  22          3HG2      THR  22  -3.517   8.816   7.620
  181    H    VAL  23           H        VAL  23  -1.994   7.297   2.978
  182    HA   VAL  23           HA       VAL  23  -1.286   4.847   1.992
  183    HB   VAL  23           HB       VAL  23   0.553   7.221   2.326
  184   1HG1  VAL  23          1HG1      VAL  23   0.820   4.631   0.897
  185   2HG1  VAL  23          2HG1      VAL  23   2.043   5.609   1.709
  186   3HG1  VAL  23          3HG1      VAL  23   1.455   6.079   0.115
  187   1HG2  VAL  23          1HG2      VAL  23  -0.269   7.098  -0.304
  188   2HG2  VAL  23          2HG2      VAL  23  -0.874   8.211   0.922
  189   3HG2  VAL  23          3HG2      VAL  23  -1.730   6.702   0.601
  190    H    GLU  24           H        GLU  24   0.193   6.541   4.736
  191    HA   GLU  24           HA       GLU  24   2.285   4.812   5.278
  192   1HB   GLU  24          2HB       GLU  24   2.082   6.905   6.451
  193   2HB   GLU  24          1HB       GLU  24   0.560   6.407   7.177
  194   1HG   GLU  24          2HG       GLU  24   2.480   4.462   7.867
  195   2HG   GLU  24          1HG       GLU  24   3.214   6.042   8.138
  196    H    ASN  25           H        ASN  25  -1.049   4.667   6.514
  197    HA   ASN  25           HA       ASN  25  -0.759   2.385   8.095
  198   1HB   ASN  25          2HB       ASN  25  -3.032   3.823   6.842
  199   2HB   ASN  25          1HB       ASN  25  -3.334   2.158   7.332
  200   1HD2  ASN  25          1HD2      ASN  25  -1.690   5.030   8.621
  201   2HD2  ASN  25          2HD2      ASN  25  -2.347   4.898  10.214
  202    H    PHE  26           H        PHE  26  -1.556   2.717   4.667
  203    HA   PHE  26           HA       PHE  26  -2.089  -0.007   4.175
  204   1HB   PHE  26          2HB       PHE  26  -2.682   1.925   2.668
  205   2HB   PHE  26          1HB       PHE  26  -0.990   1.991   2.192
  206    HD1  PHE  26           HD1      PHE  26  -2.637  -1.209   2.868
  207    HD2  PHE  26           HD2      PHE  26  -1.499   1.597  -0.136
  208    HE1  PHE  26           HE1      PHE  26  -3.060  -2.903   1.130
  209    HE2  PHE  26           HE2      PHE  26  -1.922  -0.094  -1.880
  210    HZ   PHE  26           HZ       PHE  26  -2.704  -2.346  -1.247
  211    H    LYS  27           H        LYS  27   0.858   1.921   3.645
  212    HA   LYS  27           HA       LYS  27   2.468  -0.150   2.684
  213   1HB   LYS  27          2HB       LYS  27   3.315   2.271   4.286
  214   2HB   LYS  27          1HB       LYS  27   4.370   1.275   3.293
  215   1HG   LYS  27          2HG       LYS  27   3.050   1.916   1.308
  216   2HG   LYS  27          1HG       LYS  27   2.088   2.985   2.330
  217   1HD   LYS  27          2HD       LYS  27   3.599   4.587   2.040
  218   2HD   LYS  27          1HD       LYS  27   4.801   3.573   2.841
  219   1HE   LYS  27          2HE       LYS  27   5.579   2.698   0.814
  220   2HE   LYS  27          1HE       LYS  27   4.143   3.222  -0.065
  221   1HZ   LYS  27          1HZ       LYS  27   4.861   5.529   0.280
  222   2HZ   LYS  27          2HZ       LYS  27   5.993   4.635  -0.604
  223   3HZ   LYS  27          3HZ       LYS  27   6.274   4.976   1.028
  224    H    ALA  28           H        ALA  28   1.758   0.880   5.978
  225    HA   ALA  28           HA       ALA  28   3.693  -0.727   7.267
  226   1HB   ALA  28          1HB       ALA  28   1.931  -0.465   9.214
  227   2HB   ALA  28          2HB       ALA  28   1.248   0.737   8.119
  228   3HB   ALA  28          3HB       ALA  28   2.914   0.896   8.676
  229    H    LYS  29           H        LYS  29   0.377  -1.310   6.247
  230    HA   LYS  29           HA       LYS  29   0.040  -3.780   7.590
  231   1HB   LYS  29          2HB       LYS  29  -1.348  -2.410   5.315
  232   2HB   LYS  29          1HB       LYS  29  -1.732  -4.086   5.685
  233   1HG   LYS  29          2HG       LYS  29  -2.251  -3.380   8.016
  234   2HG   LYS  29          1HG       LYS  29  -2.033  -1.707   7.502
  235   1HD   LYS  29          2HD       LYS  29  -3.747  -2.556   5.609
  236   2HD   LYS  29          1HD       LYS  29  -4.237  -3.591   6.952
  237   1HE   LYS  29          2HE       LYS  29  -4.059  -0.581   6.996
  238   2HE   LYS  29          1HE       LYS  29  -5.541  -1.534   6.919
  239   1HZ   LYS  29          1HZ       LYS  29  -4.132  -0.725   9.188
  240   2HZ   LYS  29          2HZ       LYS  29  -4.025  -2.410   9.109
  241   3HZ   LYS  29          3HZ       LYS  29  -5.541  -1.659   9.113
  242    H    ILE  30           H        ILE  30   1.244  -2.902   4.396
  243    HA   ILE  30           HA       ILE  30   1.432  -5.564   3.408
  244    HB   ILE  30           HB       ILE  30   3.047  -3.190   2.484
  245   1HG1  ILE  30          2HG1      ILE  30   0.490  -3.990   1.167
  246   2HG1  ILE  30          1HG1      ILE  30   0.402  -3.036   2.644
  247   1HG2  ILE  30          1HG2      ILE  30   3.338  -5.744   1.745
  248   2HG2  ILE  30          2HG2      ILE  30   3.591  -4.389   0.644
  249   3HG2  ILE  30          3HG2      ILE  30   2.060  -5.265   0.627
  250   1HD1  ILE  30          1HD1      ILE  30   2.092  -1.488   1.425
  251   2HD1  ILE  30          2HD1      ILE  30   0.375  -1.416   1.023
  252   3HD1  ILE  30          3HD1      ILE  30   1.491  -2.293  -0.025
  253    H    GLN  31           H        GLN  31   3.684  -3.379   5.029
  254    HA   GLN  31           HA       GLN  31   6.075  -4.664   4.716
  255   1HB   GLN  31          2HB       GLN  31   5.963  -2.594   5.924
  256   2HB   GLN  31          1HB       GLN  31   4.957  -3.314   7.174
  257   1HG   GLN  31          2HG       GLN  31   7.062  -4.912   7.407
  258   2HG   GLN  31          1HG       GLN  31   7.879  -3.496   6.746
  259   1HE2  GLN  31          1HE2      GLN  31   8.431  -4.450   9.271
  260   2HE2  GLN  31          2HE2      GLN  31   7.882  -3.308  10.445
  261    H    ASP  32           H        ASP  32   3.879  -5.247   7.467
  262    HA   ASP  32           HA       ASP  32   5.261  -7.542   8.365
  263   1HB   ASP  32          2HB       ASP  32   3.297  -5.947   9.399
  264   2HB   ASP  32          1HB       ASP  32   2.397  -7.414   9.024
  265    H    LYS  33           H        LYS  33   3.383  -7.141   5.636
  266    HA   LYS  33           HA       LYS  33   2.251  -9.817   5.645
  267   1HB   LYS  33          2HB       LYS  33   1.978  -7.396   3.940
  268   2HB   LYS  33          1HB       LYS  33   1.671  -8.956   3.188
  269   1HG   LYS  33          2HG       LYS  33   0.343  -8.691   5.753
  270   2HG   LYS  33          1HG       LYS  33  -0.135  -7.436   4.608
  271   1HD   LYS  33          2HD       LYS  33  -1.520  -8.925   3.698
  272   2HD   LYS  33          1HD       LYS  33  -0.096  -9.789   3.116
  273   1HE   LYS  33          2HE       LYS  33  -1.052 -11.485   4.278
  274   2HE   LYS  33          1HE       LYS  33  -0.162 -10.741   5.605
  275   1HZ   LYS  33          1HZ       LYS  33  -2.109  -9.650   6.351
  276   2HZ   LYS  33          2HZ       LYS  33  -2.542 -11.263   6.079
  277   3HZ   LYS  33          3HZ       LYS  33  -2.979 -10.071   4.961
  278    H    GLU  34           H        GLU  34   4.631  -7.974   3.739
  279    HA   GLU  34           HA       GLU  34   5.636 -10.543   2.701
  280   1HB   GLU  34          2HB       GLU  34   5.462  -7.823   1.449
  281   2HB   GLU  34          1HB       GLU  34   6.652  -8.986   0.885
  282   1HG   GLU  34          2HG       GLU  34   3.820  -9.854   1.109
  283   2HG   GLU  34          1HG       GLU  34   4.278  -8.795  -0.223
  284    H    GLY  35           H        GLY  35   6.324  -8.032   4.782
  285   1HA   GLY  35          2HA       GLY  35   8.203  -7.611   6.050
  286   2HA   GLY  35          1HA       GLY  35   8.976  -8.977   5.260
  287    H    ILE  36           H        ILE  36   7.851  -5.706   4.374
  288    HA   ILE  36           HA       ILE  36  10.514  -5.161   3.284
  289    HB   ILE  36           HB       ILE  36   7.979  -4.586   1.749
  290   1HG1  ILE  36          2HG1      ILE  36  10.123  -6.677   1.320
  291   2HG1  ILE  36          1HG1      ILE  36   8.431  -6.969   1.710
  292   1HG2  ILE  36          1HG2      ILE  36  10.635  -3.530   1.593
  293   2HG2  ILE  36          2HG2      ILE  36   9.211  -3.108   0.643
  294   3HG2  ILE  36          3HG2      ILE  36  10.263  -4.422   0.119
  295   1HD1  ILE  36          1HD1      ILE  36   8.436  -7.367  -0.534
  296   2HD1  ILE  36          2HD1      ILE  36   9.670  -6.150  -0.861
  297   3HD1  ILE  36          3HD1      ILE  36   8.014  -5.654  -0.512
  298    HA   PRO  37           HA       PRO  37   9.779  -1.530   5.806
  299   1HB   PRO  37          2HB       PRO  37  12.155  -0.590   4.291
  300   2HB   PRO  37          1HB       PRO  37  11.881  -0.643   6.035
  301   1HG   PRO  37          2HG       PRO  37  13.503  -2.398   4.856
  302   2HG   PRO  37          1HG       PRO  37  12.438  -2.889   6.186
  303   1HD   PRO  37          2HD       PRO  37  12.142  -3.355   3.248
  304   2HD   PRO  37          1HD       PRO  37  11.757  -4.432   4.606
  305    HA   PRO  38           HA       PRO  38   7.462   1.060   3.068
  306   1HB   PRO  38          2HB       PRO  38   8.274   3.226   4.936
  307   2HB   PRO  38          1HB       PRO  38   6.659   2.742   4.407
  308   1HG   PRO  38          2HG       PRO  38   7.531   2.136   6.852
  309   2HG   PRO  38          1HG       PRO  38   6.542   0.993   5.925
  310   1HD   PRO  38          2HD       PRO  38   9.485   0.972   6.440
  311   2HD   PRO  38          1HD       PRO  38   8.346  -0.386   6.342
  312    H    ASP  39           H        ASP  39  10.663   2.018   4.176
  313    HA   ASP  39           HA       ASP  39  11.123   4.159   2.445
  314   1HB   ASP  39          2HB       ASP  39  12.804   2.311   4.033
  315   2HB   ASP  39          1HB       ASP  39  13.611   3.127   2.697
  316    H    GLN  40           H        GLN  40  10.864   0.816   1.777
  317    HA   GLN  40           HA       GLN  40  11.955   1.265  -0.925
  318   1HB   GLN  40          2HB       GLN  40  11.789  -1.506   0.127
  319   2HB   GLN  40          1HB       GLN  40  12.980  -0.777  -0.942
  320   1HG   GLN  40          2HG       GLN  40  13.509   0.561   1.329
  321   2HG   GLN  40          1HG       GLN  40  12.928  -0.964   1.994
  322   1HE2  GLN  40          1HE2      GLN  40  15.618   0.622   1.149
  323   2HE2  GLN  40          2HE2      GLN  40  16.653  -0.703   0.752
  324    H    GLN  41           H        GLN  41   9.157   1.255   0.512
  325    HA   GLN  41           HA       GLN  41   7.800  -0.627  -1.278
  326   1HB   GLN  41          2HB       GLN  41   7.057   0.730   1.275
  327   2HB   GLN  41          1HB       GLN  41   5.774   0.247   0.175
  328   1HG   GLN  41          2HG       GLN  41   6.995  -2.055   0.209
  329   2HG   GLN  41          1HG       GLN  41   7.688  -1.442   1.711
  330   1HE2  GLN  41          1HE2      GLN  41   6.599  -1.872   3.483
  331   2HE2  GLN  41          2HE2      GLN  41   4.913  -2.231   3.583
  332    H    ARG  42           H        ARG  42   7.274   0.179  -3.197
  333    HA   ARG  42           HA       ARG  42   6.327   2.965  -3.337
  334   1HB   ARG  42          2HB       ARG  42   8.394   1.784  -4.744
  335   2HB   ARG  42          1HB       ARG  42   7.056   1.734  -5.883
  336   1HG   ARG  42          2HG       ARG  42   6.801   4.258  -5.091
  337   2HG   ARG  42          1HG       ARG  42   8.526   4.053  -4.781
  338   1HD   ARG  42          2HD       ARG  42   8.849   3.302  -7.087
  339   2HD   ARG  42          1HD       ARG  42   7.126   3.513  -7.396
  340    HE   ARG  42           HE       ARG  42   7.879   5.957  -6.546
  341   1HH1  ARG  42          2HH1      ARG  42   9.150   3.797  -8.963
  342   2HH1  ARG  42          1HH1      ARG  42   9.754   5.069  -9.970
  343   1HH2  ARG  42          1HH2      ARG  42   8.669   7.641  -7.864
  344   2HH2  ARG  42          2HH2      ARG  42   9.481   7.257  -9.345
  345    H    LEU  43           H        LEU  43   4.185   3.036  -3.430
  346    HA   LEU  43           HA       LEU  43   2.754   0.913  -4.873
  347   1HB   LEU  43          2HB       LEU  43   1.474   2.935  -3.061
  348   2HB   LEU  43          1HB       LEU  43   0.862   1.368  -3.553
  349    HG   LEU  43           HG       LEU  43   3.224   1.786  -1.718
  350   1HD1  LEU  43          1HD1      LEU  43   1.197   2.536  -0.640
  351   2HD1  LEU  43          2HD1      LEU  43   1.701   0.993   0.048
  352   3HD1  LEU  43          3HD1      LEU  43   0.366   1.051  -1.104
  353   1HD2  LEU  43          1HD2      LEU  43   3.265  -0.303  -3.035
  354   2HD2  LEU  43          2HD2      LEU  43   1.679  -0.717  -2.384
  355   3HD2  LEU  43          3HD2      LEU  43   3.069  -0.588  -1.306
  356    H    ILE  44           H        ILE  44   1.850   1.350  -6.768
  357    HA   ILE  44           HA       ILE  44   1.253   4.159  -7.429
  358    HB   ILE  44           HB       ILE  44   2.350   2.081  -9.325
  359   1HG1  ILE  44          2HG1      ILE  44   3.585   4.364  -7.827
  360   2HG1  ILE  44          1HG1      ILE  44   4.211   2.740  -8.097
  361   1HG2  ILE  44          1HG2      ILE  44   0.676   3.989 -10.064
  362   2HG2  ILE  44          2HG2      ILE  44   2.064   3.542 -11.056
  363   3HG2  ILE  44          3HG2      ILE  44   2.146   4.963 -10.016
  364   1HD1  ILE  44          1HD1      ILE  44   4.317   5.131  -9.853
  365   2HD1  ILE  44          2HD1      ILE  44   4.292   3.530 -10.592
  366   3HD1  ILE  44          3HD1      ILE  44   5.573   3.957  -9.458
  367    H    PHE  45           H        PHE  45  -0.663   4.566  -8.412
  368    HA   PHE  45           HA       PHE  45  -2.280   2.313  -9.349
  369   1HB   PHE  45          2HB       PHE  45  -2.877   2.778  -6.965
  370   2HB   PHE  45          1HB       PHE  45  -3.346   4.407  -7.444
  371    HD1  PHE  45           HD1      PHE  45  -4.127   0.820  -7.909
  372    HD2  PHE  45           HD2      PHE  45  -5.457   4.843  -8.381
  373    HE1  PHE  45           HE1      PHE  45  -6.387   0.003  -8.457
  374    HE2  PHE  45           HE2      PHE  45  -7.721   4.035  -8.929
  375    HZ   PHE  45           HZ       PHE  45  -8.187   1.612  -8.968
  376    H    ALA  46           H        ALA  46  -2.424   2.876 -11.443
  377    HA   ALA  46           HA       ALA  46  -3.087   3.993 -13.312
  378   1HB   ALA  46          1HB       ALA  46  -5.055   5.099 -13.200
  379   2HB   ALA  46          2HB       ALA  46  -4.537   6.109 -11.850
  380   3HB   ALA  46          3HB       ALA  46  -5.066   4.452 -11.558
  381    H    GLY  47           H        GLY  47  -0.606   4.671 -12.091
  382   1HA   GLY  47          2HA       GLY  47   1.059   6.173 -12.726
  383   2HA   GLY  47          1HA       GLY  47  -0.181   7.236 -13.373
  384    H    LYS  48           H        LYS  48  -1.501   6.743 -10.572
  385    HA   LYS  48           HA       LYS  48  -0.296   9.103  -9.379
  386   1HB   LYS  48          2HB       LYS  48  -2.832   7.578  -8.989
  387   2HB   LYS  48          1HB       LYS  48  -2.238   8.564  -7.661
  388   1HG   LYS  48          2HG       LYS  48  -2.632  10.523  -8.751
  389   2HG   LYS  48          1HG       LYS  48  -2.390   9.811 -10.347
  390   1HD   LYS  48          2HD       LYS  48  -4.548   9.079 -10.499
  391   2HD   LYS  48          1HD       LYS  48  -4.715   8.875  -8.754
  392   1HE   LYS  48          2HE       LYS  48  -5.591  10.910  -8.517
  393   2HE   LYS  48          1HE       LYS  48  -4.298  11.647  -9.462
  394   1HZ   LYS  48          1HZ       LYS  48  -5.465  11.141 -11.473
  395   2HZ   LYS  48          2HZ       LYS  48  -6.527  11.951 -10.435
  396   3HZ   LYS  48          3HZ       LYS  48  -6.656  10.277 -10.637
  397    H    GLN  49           H        GLN  49   1.523   8.694  -8.275
  398    HA   GLN  49           HA       GLN  49   1.966   6.252  -6.850
  399   1HB   GLN  49          2HB       GLN  49   3.831   7.468  -7.849
  400   2HB   GLN  49          1HB       GLN  49   3.502   8.856  -6.821
  401   1HG   GLN  49          2HG       GLN  49   3.844   7.135  -4.888
  402   2HG   GLN  49          1HG       GLN  49   4.704   6.222  -6.126
  403   1HE2  GLN  49          1HE2      GLN  49   6.427   6.645  -4.458
  404   2HE2  GLN  49          2HE2      GLN  49   7.377   8.072  -4.664
  405    H    LEU  50           H        LEU  50   1.804   5.825  -4.705
  406    HA   LEU  50           HA       LEU  50   0.269   7.719  -3.118
  407   1HB   LEU  50          2HB       LEU  50   0.917   4.812  -2.911
  408   2HB   LEU  50          1HB       LEU  50   0.441   5.677  -1.463
  409    HG   LEU  50           HG       LEU  50  -1.725   5.982  -2.181
  410   1HD1  LEU  50          1HD1      LEU  50  -2.323   5.680  -4.659
  411   2HD1  LEU  50          2HD1      LEU  50  -0.591   5.844  -4.950
  412   3HD1  LEU  50          3HD1      LEU  50  -1.484   7.155  -4.178
  413   1HD2  LEU  50          1HD2      LEU  50  -2.510   3.882  -3.196
  414   2HD2  LEU  50          2HD2      LEU  50  -1.356   3.609  -1.891
  415   3HD2  LEU  50          3HD2      LEU  50  -0.839   3.459  -3.570
  416    H    GLU  51           H        GLU  51   1.105   8.972  -1.591
  417    HA   GLU  51           HA       GLU  51   3.830   8.380  -0.637
  418   1HB   GLU  51          2HB       GLU  51   2.455  10.996  -1.201
  419   2HB   GLU  51          1HB       GLU  51   3.859  10.909  -0.147
  420   1HG   GLU  51          2HG       GLU  51   5.085   9.809  -2.041
  421   2HG   GLU  51          1HG       GLU  51   3.703  10.199  -3.063
  422    H    ASP  52           H        ASP  52   4.312   8.845   1.570
  423    HA   ASP  52           HA       ASP  52   2.263   8.108   3.373
  424   1HB   ASP  52          2HB       ASP  52   5.061   9.159   3.760
  425   2HB   ASP  52          1HB       ASP  52   4.009   8.782   5.123
  426    H    GLY  53           H        GLY  53   1.000  10.084   2.262
  427   1HA   GLY  53          2HA       GLY  53   0.717  12.023   4.393
  428   2HA   GLY  53          1HA       GLY  53   1.253  12.695   2.862
  429    H    ARG  54           H        ARG  54  -0.391  10.676   1.349
  430    HA   ARG  54           HA       ARG  54  -2.929  12.112   1.615
  431   1HB   ARG  54          2HB       ARG  54  -1.405  10.992  -0.612
  432   2HB   ARG  54          1HB       ARG  54  -3.106  10.548  -0.660
  433   1HG   ARG  54          2HG       ARG  54  -2.888  12.526  -1.924
  434   2HG   ARG  54          1HG       ARG  54  -3.639  12.992  -0.397
  435   1HD   ARG  54          2HD       ARG  54  -1.792  14.123   0.328
  436   2HD   ARG  54          1HD       ARG  54  -0.677  13.102  -0.580
  437    HE   ARG  54           HE       ARG  54  -2.122  14.512  -2.458
  438   1HH1  ARG  54          2HH1      ARG  54   0.012  15.260   0.191
  439   2HH1  ARG  54          1HH1      ARG  54   0.596  16.726  -0.524
  440   1HH2  ARG  54          1HH2      ARG  54  -1.360  16.440  -3.408
  441   2HH2  ARG  54          2HH2      ARG  54  -0.185  17.398  -2.569
  442    H    THR  55           H        THR  55  -4.866  10.665   0.853
  443    HA   THR  55           HA       THR  55  -4.723   8.141   2.372
  444    HB   THR  55           HB       THR  55  -7.245   8.478   2.657
  445    HG1  THR  55           HG1      THR  55  -7.468  11.007   2.698
  446   1HG2  THR  55          1HG2      THR  55  -6.186   8.740   4.659
  447   2HG2  THR  55          2HG2      THR  55  -6.710  10.407   4.423
  448   3HG2  THR  55          3HG2      THR  55  -5.056   9.939   4.030
  449    H    LEU  56           H        LEU  56  -6.532   6.590   1.712
  450    HA   LEU  56           HA       LEU  56  -6.172   5.860  -0.972
  451   1HB   LEU  56          2HB       LEU  56  -8.468   5.014   0.790
  452   2HB   LEU  56          1HB       LEU  56  -7.798   4.141  -0.576
  453    HG   LEU  56           HG       LEU  56  -6.588   4.527   2.150
  454   1HD1  LEU  56          1HD1      LEU  56  -7.705   2.590   2.374
  455   2HD1  LEU  56          2HD1      LEU  56  -6.332   1.919   1.493
  456   3HD1  LEU  56          3HD1      LEU  56  -7.816   2.330   0.633
  457   1HD2  LEU  56          1HD2      LEU  56  -5.238   3.509  -0.345
  458   2HD2  LEU  56          2HD2      LEU  56  -4.587   3.383   1.289
  459   3HD2  LEU  56          3HD2      LEU  56  -4.825   4.969   0.553
  460    H    SER  57           H        SER  57  -8.827   7.536   0.656
  461    HA   SER  57           HA       SER  57 -10.583   7.652  -1.536
  462   1HB   SER  57          2HB       SER  57 -11.821   9.247  -0.287
  463   2HB   SER  57          1HB       SER  57 -11.092   8.179   0.912
  464    HG   SER  57           HG       SER  57 -10.922  10.533   1.274
  465    H    ASP  58           H        ASP  58  -7.720   9.426  -0.776
  466    HA   ASP  58           HA       ASP  58  -8.239  11.714  -2.385
  467   1HB   ASP  58          2HB       ASP  58  -5.726  10.519  -1.229
  468   2HB   ASP  58          1HB       ASP  58  -5.679  11.941  -2.268
  469    H    TYR  59           H        TYR  59  -6.946   8.532  -3.001
  470    HA   TYR  59           HA       TYR  59  -6.234   9.286  -5.742
  471   1HB   TYR  59          2HB       TYR  59  -5.752   6.676  -4.289
  472   2HB   TYR  59          1HB       TYR  59  -5.115   7.121  -5.868
  473    HD1  TYR  59           HD1      TYR  59  -4.364   6.912  -2.461
  474    HD2  TYR  59           HD2      TYR  59  -3.728   9.404  -5.860
  475    HE1  TYR  59           HE1      TYR  59  -2.370   7.871  -1.377
  476    HE2  TYR  59           HE2      TYR  59  -1.731  10.370  -4.786
  477    HH   TYR  59           HH       TYR  59  -0.631  10.580  -2.790
  478    H    ASN  60           H        ASN  60  -9.010   9.002  -4.719
  479    HA   ASN  60           HA       ASN  60 -11.004   8.024  -5.262
  480   1HB   ASN  60          2HB       ASN  60 -11.345   7.704  -7.673
  481   2HB   ASN  60          1HB       ASN  60 -10.468   9.196  -7.349
  482   1HD2  ASN  60          1HD2      ASN  60 -10.376   6.089  -8.801
  483   2HD2  ASN  60          2HD2      ASN  60  -8.820   6.236  -9.538
  484    H    ILE  61           H        ILE  61  -9.401   6.227  -3.945
  485    HA   ILE  61           HA       ILE  61  -9.281   3.742  -5.409
  486    HB   ILE  61           HB       ILE  61  -8.834   4.293  -2.473
  487   1HG1  ILE  61          2HG1      ILE  61  -6.962   4.078  -4.833
  488   2HG1  ILE  61          1HG1      ILE  61  -7.162   5.439  -3.734
  489   1HG2  ILE  61          1HG2      ILE  61  -8.672   2.104  -2.147
  490   2HG2  ILE  61          2HG2      ILE  61  -7.515   1.953  -3.469
  491   3HG2  ILE  61          3HG2      ILE  61  -9.245   1.850  -3.796
  492   1HD1  ILE  61          1HD1      ILE  61  -6.412   3.075  -2.284
  493   2HD1  ILE  61          2HD1      ILE  61  -5.612   4.644  -2.375
  494   3HD1  ILE  61          3HD1      ILE  61  -5.269   3.407  -3.585
  495    H    GLN  62           H        GLN  62 -10.869   2.315  -5.598
  496    HA   GLN  62           HA       GLN  62 -13.015   2.309  -3.582
  497   1HB   GLN  62          2HB       GLN  62 -13.349   1.950  -6.566
  498   2HB   GLN  62          1HB       GLN  62 -14.633   1.824  -5.371
  499   1HG   GLN  62          2HG       GLN  62 -14.995   3.997  -5.505
  500   2HG   GLN  62          1HG       GLN  62 -13.331   4.324  -5.021
  501   1HE2  GLN  62          1HE2      GLN  62 -12.972   6.036  -6.350
  502   2HE2  GLN  62          2HE2      GLN  62 -12.932   5.922  -8.074
  503    H    LYS  63           H        LYS  63 -14.443   0.182  -4.140
  504    HA   LYS  63           HA       LYS  63 -12.868  -1.992  -3.358
  505   1HB   LYS  63          2HB       LYS  63 -15.337  -1.757  -3.010
  506   2HB   LYS  63          1HB       LYS  63 -15.565  -2.126  -4.714
  507   1HG   LYS  63          2HG       LYS  63 -14.218  -4.271  -4.177
  508   2HG   LYS  63          1HG       LYS  63 -14.643  -3.908  -2.503
  509   1HD   LYS  63          2HD       LYS  63 -16.523  -4.391  -4.808
  510   2HD   LYS  63          1HD       LYS  63 -16.295  -5.401  -3.379
  511   1HE   LYS  63          2HE       LYS  63 -17.049  -3.398  -2.019
  512   2HE   LYS  63          1HE       LYS  63 -17.545  -2.670  -3.547
  513   1HZ   LYS  63          1HZ       LYS  63 -18.515  -5.288  -2.536
  514   2HZ   LYS  63          2HZ       LYS  63 -19.052  -4.482  -3.922
  515   3HZ   LYS  63          3HZ       LYS  63 -19.362  -3.829  -2.393
  516    H    GLU  64           H        GLU  64 -12.188  -3.851  -4.449
  517    HA   GLU  64           HA       GLU  64 -11.416  -5.118  -6.179
  518   1HB   GLU  64          2HB       GLU  64 -13.141  -3.357  -7.931
  519   2HB   GLU  64          1HB       GLU  64 -12.400  -4.879  -8.405
  520   1HG   GLU  64          2HG       GLU  64 -14.029  -5.142  -6.019
  521   2HG   GLU  64          1HG       GLU  64 -14.941  -4.532  -7.399
  522    H    SER  65           H        SER  65 -10.333  -2.412  -5.328
  523    HA   SER  65           HA       SER  65  -8.965  -1.487  -7.711
  524   1HB   SER  65          2HB       SER  65  -9.083  -0.577  -4.851
  525   2HB   SER  65          1HB       SER  65  -7.803   0.012  -5.914
  526    HG   SER  65           HG       SER  65  -9.228   1.126  -7.042
  527    H    THR  66           H        THR  66  -6.914  -1.948  -8.284
  528    HA   THR  66           HA       THR  66  -5.355  -3.655  -6.455
  529    HB   THR  66           HB       THR  66  -4.995  -3.684  -9.440
  530    HG1  THR  66           HG1      THR  66  -6.580  -5.627  -8.166
  531   1HG2  THR  66          1HG2      THR  66  -4.046  -5.227  -7.121
  532   2HG2  THR  66          2HG2      THR  66  -3.288  -4.957  -8.691
  533   3HG2  THR  66          3HG2      THR  66  -4.532  -6.194  -8.512
  534    H    ILE  67           H        ILE  67  -3.362  -3.005  -5.922
  535    HA   ILE  67           HA       ILE  67  -2.245  -0.689  -7.363
  536    HB   ILE  67           HB       ILE  67  -1.756  -1.418  -4.475
  537   1HG1  ILE  67          2HG1      ILE  67  -3.083   0.892  -4.295
  538   2HG1  ILE  67          1HG1      ILE  67  -3.802   0.303  -5.791
  539   1HG2  ILE  67          1HG2      ILE  67  -0.600   0.524  -6.325
  540   2HG2  ILE  67          2HG2      ILE  67   0.023  -0.100  -4.798
  541   3HG2  ILE  67          3HG2      ILE  67  -1.140   1.226  -4.800
  542   1HD1  ILE  67          1HD1      ILE  67  -4.979  -0.230  -3.589
  543   2HD1  ILE  67          2HD1      ILE  67  -3.696  -1.415  -3.346
  544   3HD1  ILE  67          3HD1      ILE  67  -4.758  -1.540  -4.749
  545    H    HIS  68           H        HIS  68  -0.044  -0.656  -7.815
  546    HA   HIS  68           HA       HIS  68   1.242  -3.289  -7.757
  547   1HB   HIS  68          2HB       HIS  68   1.549  -0.858  -9.483
  548   2HB   HIS  68          1HB       HIS  68   2.871  -2.013  -9.364
  549    HD1  HIS  68           HD1      HIS  68   2.763  -3.944 -10.919
  550    HD2  HIS  68           HD2      HIS  68  -0.945  -2.136 -10.418
  551    HE1  HIS  68           HE1      HIS  68   1.225  -5.106 -12.534
  552    HE2  HIS  68           HE2      HIS  68  -0.988  -3.928 -12.282
  553    H    LEU  69           H        LEU  69   2.972  -3.695  -6.535
  554    HA   LEU  69           HA       LEU  69   4.116  -1.471  -5.001
  555   1HB   LEU  69          2HB       LEU  69   3.287  -3.169  -3.574
  556   2HB   LEU  69          1HB       LEU  69   4.017  -4.440  -4.535
  557    HG   LEU  69           HG       LEU  69   6.269  -3.541  -3.835
  558   1HD1  LEU  69          1HD1      LEU  69   6.062  -2.263  -1.586
  559   2HD1  LEU  69          2HD1      LEU  69   4.478  -1.793  -2.203
  560   3HD1  LEU  69          3HD1      LEU  69   5.933  -1.376  -3.106
  561   1HD2  LEU  69          1HD2      LEU  69   5.901  -4.386  -1.393
  562   2HD2  LEU  69          2HD2      LEU  69   5.704  -5.494  -2.751
  563   3HD2  LEU  69          3HD2      LEU  69   4.287  -4.783  -1.981
  564    H    VAL  70           H        VAL  70   6.236  -0.940  -5.108
  565    HA   VAL  70           HA       VAL  70   8.001  -2.626  -6.749
  566    HB   VAL  70           HB       VAL  70   8.510   0.263  -6.958
  567   1HG1  VAL  70          1HG1      VAL  70   9.718  -1.560  -8.170
  568   2HG1  VAL  70          2HG1      VAL  70   9.065  -0.296  -9.211
  569   3HG1  VAL  70          3HG1      VAL  70   8.240  -1.850  -9.088
  570   1HG2  VAL  70          1HG2      VAL  70   5.986   0.081  -7.014
  571   2HG2  VAL  70          2HG2      VAL  70   6.179  -0.851  -8.498
  572   3HG2  VAL  70          3HG2      VAL  70   6.744   0.817  -8.426
  573    H    LEU  71           H        LEU  71  10.265  -2.365  -6.326
  574    HA   LEU  71           HA       LEU  71  10.790  -1.801  -3.536
  575   1HB   LEU  71          2HB       LEU  71  11.866  -3.528  -5.496
  576   2HB   LEU  71          1HB       LEU  71  13.156  -2.437  -5.031
  577    HG   LEU  71           HG       LEU  71  13.003  -4.619  -3.748
  578   1HD1  LEU  71          1HD1      LEU  71  13.820  -2.110  -2.991
  579   2HD1  LEU  71          2HD1      LEU  71  14.149  -3.610  -2.123
  580   3HD1  LEU  71          3HD1      LEU  71  12.776  -2.605  -1.658
  581   1HD2  LEU  71          1HD2      LEU  71  11.085  -3.604  -1.851
  582   2HD2  LEU  71          2HD2      LEU  71  11.161  -5.179  -2.642
  583   3HD2  LEU  71          3HD2      LEU  71  10.350  -3.830  -3.438
  584    H    ARG  72           H        ARG  72  11.547  -0.447  -6.680
  585    HA   ARG  72           HA       ARG  72  12.288   1.631  -7.264
  586   1HB   ARG  72          2HB       ARG  72  10.973   2.384  -5.253
  587   2HB   ARG  72          1HB       ARG  72  12.452   2.247  -4.311
  588   1HG   ARG  72          2HG       ARG  72  13.044   3.800  -6.600
  589   2HG   ARG  72          1HG       ARG  72  11.544   4.417  -5.903
  590   1HD   ARG  72          2HD       ARG  72  13.369   3.861  -3.789
  591   2HD   ARG  72          1HD       ARG  72  14.202   4.822  -5.010
  592    HE   ARG  72           HE       ARG  72  12.237   5.742  -3.203
  593   1HH1  ARG  72          2HH1      ARG  72  13.272   6.078  -6.510
  594   2HH1  ARG  72          1HH1      ARG  72  12.652   7.687  -6.677
  595   1HH2  ARG  72          1HH2      ARG  72  11.415   7.859  -3.411
  596   2HH2  ARG  72          2HH2      ARG  72  11.596   8.699  -4.915
  597    H    LEU  73           H        LEU  73  14.228   1.274  -8.159
  598    HA   LEU  73           HA       LEU  73  16.470   0.912  -8.393
  599   1HB   LEU  73          2HB       LEU  73  16.030   3.158  -6.708
  600   2HB   LEU  73          1HB       LEU  73  17.437   2.307  -6.099
  601    HG   LEU  73           HG       LEU  73  17.919   2.400  -8.811
  602   1HD1  LEU  73          1HD1      LEU  73  17.317   4.428  -9.710
  603   2HD1  LEU  73          2HD1      LEU  73  17.068   5.176  -8.133
  604   3HD1  LEU  73          3HD1      LEU  73  15.883   4.032  -8.764
  605   1HD2  LEU  73          1HD2      LEU  73  18.808   4.071  -6.491
  606   2HD2  LEU  73          2HD2      LEU  73  19.437   4.357  -8.115
  607   3HD2  LEU  73          3HD2      LEU  73  19.675   2.791  -7.340
  608    H    ARG  74           H        ARG  74  16.816  -1.230  -8.017
  609    HA   ARG  74           HA       ARG  74  16.800  -2.422  -5.444
  610   1HB   ARG  74          2HB       ARG  74  17.321  -3.257  -8.194
  611   2HB   ARG  74          1HB       ARG  74  18.343  -4.083  -7.026
  612   1HG   ARG  74          2HG       ARG  74  16.339  -5.364  -7.442
  613   2HG   ARG  74          1HG       ARG  74  16.345  -4.770  -5.779
  614   1HD   ARG  74          2HD       ARG  74  14.145  -4.470  -6.669
  615   2HD   ARG  74          1HD       ARG  74  14.899  -2.883  -6.522
  616    HE   ARG  74           HE       ARG  74  15.126  -4.149  -9.119
  617   1HH1  ARG  74          2HH1      ARG  74  13.369  -1.941  -7.079
  618   2HH1  ARG  74          1HH1      ARG  74  12.637  -1.098  -8.402
  619   1HH2  ARG  74          1HH2      ARG  74  14.168  -3.045 -10.870
  620   2HH2  ARG  74          2HH2      ARG  74  13.090  -1.726 -10.558
  621    H    GLY  75           H        GLY  75  18.215  -0.628  -4.529
  622   1HA   GLY  75          2HA       GLY  75  20.540  -1.496  -3.518
  623   2HA   GLY  75          1HA       GLY  75  21.053  -0.895  -5.087
  624    H    GLY  76           HN       GLY  76  21.034  -0.086  -1.983
  625   1HA   GLY  76          2HA       GLY  76  20.588   2.782  -2.552
  626   2HA   GLY  76          1HA       GLY  76  20.252   2.047  -0.991