*HEADER    TRANSPORT PROTEIN                       03-DEC-09   2KR5              
*TITLE     SOLUTION STRUCTURE OF AN ACYL CARRIER PROTEIN DOMAIN FROM             
*TITLE    2 FUNGAL TYPE I POLYKETIDE SYNTHASE                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AFLATOXIN BIOSYNTHESIS POLYKETIDE SYNTHASE;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES  1705-1791;                                   
*COMPND   5 SYNONYM: PKS;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ASPERGILLUS PARASITICUS;                        
*SOURCE   3 ORGANISM_TAXID: 5067;                                                
*SOURCE   4 GENE: PKSL1;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET30B                                     
*KEYWDS    ACYL CARRRIER PROTEIN, HOLO, PHOSPHOPANTETHEINE, AFLATOXIN            
*KEYWDS   2 BIOSYNTHESIS, TRANSPORT PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.WATTANA-AMORN, C.WILLIAMS, E.PLOSKON, R.J.COX,                      
*AUTHOR   2 T.J.SIMPSON, J.CROSBY, M.P.CRUMP                                     
*REVDAT   3   14-APR-10 2OZB    1       NOE DATA
*REVDAT   2   23-MAR-10 2OZB    1       NOE DATA     
*REVDAT   1   02-MAR-10 2KR5    0                                                


! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chpwa/NMRdata/holoNASACP_DATA.tar_FILES/Talos/predfinal.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -96  54 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  20 and name C)
       (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -101  40 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -100  56 2

! Talos derived phi restraint:
assign (resid  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -87  60 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -87  36 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -80  48 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -89  34 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -92  32 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -71  24 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -99  34 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -85  20 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -82  20 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -105  30 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  65 and name C)
       (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       1.0 -79  30 2

! Talos derived phi restraint:
assign (resid  66 and name C)
       (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       1.0 -93  48 2

! Talos derived phi restraint:
assign (resid  68 and name C)
       (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       1.0 -92  36 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -83  26 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 164  38 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 -46  20 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 -22  24 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 -22  22 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 135  30 2

! Talos derived psi restraint:
assign (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 136  56 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 -34  30 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 -30  20 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0 -19  50 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 142  42 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 166  20 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 -26  22 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0   0  22 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 134  24 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 123  56 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 -22  20 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0  -3  20 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 133  24 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 151  48 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -40  22 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -42  26 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -38  34 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -41  24 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 -39  24 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       (resid  67 and name N)
       1.0 133  20 2

! Talos derived psi restraint:
assign (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       (resid  68 and name N)
       1.0 132  54 2

! Talos derived psi restraint:
assign (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       (resid  70 and name N)
       1.0   3  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -25  20 2


*noe data 
 ASSI {    5}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak     5 spectrum    1 weight  0.10000E+01 volume  0.14399E-02 ppm1      8.430 ppm2      4.226 CV     1
 OR {    5}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {   92}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.44974E-02 ppm1      7.946 ppm2      4.227 CV     1
 OR {   92}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  133}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.100     2.100     1.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.92245E-03 ppm1      7.900 ppm2      0.866 CV     1
 OR {  133}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI {  135}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.400     1.500     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.17407E-02 ppm1      7.905 ppm2      1.459 CV     1
 OR {  135}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 OR {  135}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  140}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.70316E-03 ppm1      7.903 ppm2      4.361 CV     1
 OR {  140}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  145}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.500     1.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.12908E-02 ppm1      7.904 ppm2      8.028 CV     1
 OR {  145}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  148}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.43283E-02 ppm1      8.165 ppm2      7.517 CV     1
 OR {  148}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  153}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.38913E-02 ppm1      8.169 ppm2      4.137 CV     1
 OR {  153}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  153}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  156}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.34390E-02 ppm1      8.168 ppm2      3.448 CV     1
 OR {  156}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  157}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.700     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.21801E-02 ppm1      8.163 ppm2      2.784 CV     1
 OR {  157}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  157}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
 OR {  157}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
 OR {  157}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 79   and name HE2 ))
 ASSI {  158}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      3.400     1.400     1.400 peak   158 spectrum    1 weight  0.10000E+01 volume  0.18417E-02 ppm1      8.213 ppm2      2.672 CV     1
 OR {  158}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  159}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.600     1.600     1.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.29835E-02 ppm1      8.170 ppm2      2.646 CV     1
 OR {  159}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 OR {  159}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  159}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 ASSI {  161}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      2.500     0.800     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.62687E-02 ppm1      8.167 ppm2      2.487 CV     1
 OR {  161}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
 OR {  161}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  163}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HE2 ))
      4.200     2.200     1.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.12443E-02 ppm1      8.165 ppm2      2.974 CV     1
 OR {  163}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HE1 ))
 OR {  163}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HE2 ))
 OR {  163}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HE1 ))
 OR {  163}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  164}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.700     1.700     1.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.18530E-02 ppm1      8.169 ppm2      2.889 CV     1
 OR {  164}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  165}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.300     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.29230E-02 ppm1      8.173 ppm2      2.262 CV     1
 OR {  165}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  165}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  166}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.500     2.500     3.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.68031E-02 ppm1      8.161 ppm2      1.912 CV     1
 OR {  166}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  167}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG  ))
      3.500     1.600     1.600 peak   167 spectrum    1 weight  0.10000E+01 volume  0.27946E-02 ppm1      8.162 ppm2      1.731 CV     1
 OR {  167}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  167}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 58   and name HG  ))
 ASSI {  169}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.56548E-02 ppm1      8.168 ppm2      1.607 CV     1
 OR {  169}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HB% )
 OR {  169}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HB% )
 ASSI {  170}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.300     0.700     0.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.65707E-02 ppm1      8.161 ppm2      1.450 CV     1
 OR {  170}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 82   and name HE% )
 ASSI {  173}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      2.600     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.53630E-02 ppm1      8.164 ppm2      0.879 CV     1
 OR {  173}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  174}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      3.300     1.400     1.400 peak   174 spectrum    1 weight  0.10000E+01 volume  0.39541E-02 ppm1      8.163 ppm2      0.742 CV     1
 OR {  174}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
 OR {  174}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  175}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
      2.100     0.500     0.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.61452E-02 ppm1      8.166 ppm2      0.634 CV     1
 OR {  175}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI {  182}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   182 spectrum    1 weight  0.10000E+01 volume  0.23946E-02 ppm1      8.025 ppm2      4.128 CV     1
 OR {  182}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  189}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG  ))
      3.600     1.600     1.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.13600E-02 ppm1      8.024 ppm2      1.726 CV     1
 OR {  189}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 58   and name HG  ))
 ASSI {  195}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.900     0.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.41788E-02 ppm1      7.514 ppm2      4.122 CV     1
 OR {  195}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  199}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      4.100     2.100     1.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.12682E-02 ppm1      7.514 ppm2      1.472 CV     1
 OR {  199}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 82   and name HE% )
 OR {  199}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 OR {  199}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  224}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      2.400     0.700     0.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.63814E-02 ppm1      7.933 ppm2      1.183 CV     1
 OR {  224}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  227}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      2.700     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.25694E-02 ppm1      7.986 ppm2      2.643 CV     1
 OR {  227}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  231}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.200     1.200     1.200 peak   231 spectrum    1 weight  0.10000E+01 volume  0.32526E-02 ppm1      8.638 ppm2      0.895 CV     1
 OR {  231}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
 ASSI {  258}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
      3.400     1.500     1.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.11525E-02 ppm1      8.056 ppm2      0.918 CV     1
 OR {  258}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  260}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.600     1.600     1.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.13916E-02 ppm1      8.059 ppm2      2.018 CV     1
 OR {  260}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  263}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.31538E-02 ppm1      8.057 ppm2      4.385 CV     1
 OR {  263}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  297}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.53765E-02 ppm1      9.181 ppm2      4.029 CV     1
 OR {  297}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  309}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.22987E-02 ppm1      7.820 ppm2      4.028 CV     1
 OR {  309}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  313}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      3.900     1.900     1.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.15708E-02 ppm1      7.818 ppm2      1.732 CV     1
 OR {  313}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI {  327}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.31105E-02 ppm1      7.940 ppm2      8.725 CV     1
 OR {  327}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  328}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.000     2.000     2.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      7.942 ppm2      8.880 CV     1
 OR {  328}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  335}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak   335 spectrum    1 weight  0.10000E+01 volume  0.25265E-02 ppm1      7.942 ppm2      3.868 CV     1
 OR {  335}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 OR {  335}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {  335}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  342}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.600     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.60153E-02 ppm1      7.942 ppm2      1.141 CV     1
 OR {  342}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI {  343}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.400     1.500     1.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.15464E-02 ppm1      7.941 ppm2      0.915 CV     1
 OR {  343}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  343}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
 OR {  343}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  364}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.40280E-02 ppm1      8.712 ppm2      2.830 CV     1
 OR {  364}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 OR {  364}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  378}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.000     1.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.30846E-02 ppm1      9.006 ppm2      4.447 CV     1
 OR {  378}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  380}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     1.100     1.100 peak   380 spectrum    1 weight  0.10000E+01 volume  0.18576E-02 ppm1      9.007 ppm2      7.501 CV     1
 OR {  380}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HD22))
 ASSI {  384}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.38970E-02 ppm1      8.439 ppm2      7.863 CV     1
 OR {  384}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  391}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.200     1.300     1.300 peak   391 spectrum    1 weight  0.10000E+01 volume  0.21409E-02 ppm1      7.862 ppm2      4.442 CV     1
 OR {  391}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  391}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  394}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.400     0.700     0.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.42261E-02 ppm1      7.861 ppm2      2.282 CV     1
 OR {  394}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
 OR {  394}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  400}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.46132E-02 ppm1      7.709 ppm2      7.856 CV     1
 OR {  400}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  430}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.800     0.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.46390E-02 ppm1      8.585 ppm2      4.223 CV     1
 OR {  430}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  441}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.900     1.900     1.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.64956E-03 ppm1      7.530 ppm2      4.037 CV     1
 OR {  441}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 OR {  441}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  449}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.30844E-02 ppm1      7.974 ppm2      4.216 CV     1
 OR {  449}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  455}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.38408E-02 ppm1      8.378 ppm2      7.980 CV     1
 OR {  455}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  456}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.600     1.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.11294E-02 ppm1      8.379 ppm2      4.204 CV     1
 OR {  456}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  477}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.300     0.700     0.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.66335E-02 ppm1      8.145 ppm2      4.008 CV     1
 OR {  477}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
 ASSI {  485}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.200     1.200 peak   485 spectrum    1 weight  0.10000E+01 volume  0.23653E-02 ppm1      8.355 ppm2      4.010 CV     1
 OR {  485}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
 ASSI {  495}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.23312E-02 ppm1      8.804 ppm2      1.891 CV     1
 OR {  495}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI {  496}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.800     1.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.13960E-02 ppm1      8.805 ppm2      0.913 CV     1
 OR {  496}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
 OR {  496}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  510}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.000     2.000     2.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.12034E-02 ppm1      8.982 ppm2      1.897 CV     1
 OR {  510}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  523}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.700     0.900     0.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.17515E-02 ppm1      7.238 ppm2      1.458 CV     1
 OR {  523}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI {  526}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.000     1.100     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.18646E-02 ppm1      6.944 ppm2      4.546 CV     1
 OR {  526}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  529}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.12425E-02 ppm1      6.942 ppm2      1.468 CV     1
 OR {  529}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI {  535}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.20457E-02 ppm1      8.078 ppm2      0.925 CV     1
 OR {  535}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
 ASSI {  547}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.30371E-02 ppm1      7.808 ppm2      8.591 CV     1
 OR {  547}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  555}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.57091E-02 ppm1      8.750 ppm2      4.353 CV     1
 OR {  555}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  568}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.25879E-02 ppm1      8.469 ppm2      4.211 CV     1
 OR {  568}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  575}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.700     0.900     0.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.23436E-02 ppm1      7.762 ppm2      2.848 CV     1
 OR {  575}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  577}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG  ))
      3.700     1.700     1.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      7.760 ppm2      1.170 CV     1
 OR {  577}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HG11))
 ASSI {  580}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.26164E-02 ppm1      6.958 ppm2      7.758 CV     1
 OR {  580}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  597}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.13619E-02 ppm1      7.711 ppm2      4.364 CV     1
 OR {  597}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  597}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  603}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.30284E-02 ppm1      8.359 ppm2      4.339 CV     1
 OR {  603}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 OR {  603}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  622}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.600     1.600     1.600 peak   622 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      7.798 ppm2      8.705 CV     1
 OR {  622}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  633}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      3.200     1.300     1.300 peak   633 spectrum    1 weight  0.10000E+01 volume  0.11969E-02 ppm1      7.800 ppm2      1.084 CV     1
 OR {  633}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  716}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 73   and name HB  ))
      3.400     1.400     1.400 peak   716 spectrum    1 weight  0.10000E+01 volume  0.86314E-03 ppm1      7.478 ppm2      4.350 CV     1
 OR {  716}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 73   and name HA  ))
 OR {  716}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 74   and name HB  ))
 ASSI {  721}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HD1 ))
      2.800     1.000     1.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.26529E-02 ppm1      7.433 ppm2      3.275 CV     1
 OR {  721}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 53   and name HD1 ))
 ASSI {  726}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HG2 ))
      2.900     1.100     1.100 peak   726 spectrum    1 weight  0.10000E+01 volume  0.16515E-02 ppm1      7.445 ppm2      1.610 CV     1
 OR {  726}
   (( segid "    " and resid 18   and name HE  ))
   (  segid "    " and resid 15   and name HB% )
 ASSI {  727}
   (( segid "    " and resid 18   and name HE  ))
   (  segid "    " and resid 58   and name HD2%)
      3.800     1.800     1.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.10218E-02 ppm1      7.445 ppm2      0.896 CV     1
 OR {  727}
   (( segid "    " and resid 18   and name HE  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  752}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.29058E-02 ppm1      8.284 ppm2      8.695 CV     1
 OR {  752}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
 OR {  752}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  753}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HB1 ))
      3.600     1.600     1.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.10416E-02 ppm1      6.794 ppm2      2.831 CV     1
 OR {  753}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  753}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  754}
   (( segid "    " and resid 36   and name HD21))
   (  segid "    " and resid 73   and name HG2%)
      4.800     2.900     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.63403E-03 ppm1      6.791 ppm2      1.198 CV     1
 OR {  754}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 42   and name HG12))
 ASSI {  774}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
      4.600     2.700     1.400 peak   774 spectrum    1 weight  0.10000E+01 volume  0.68141E-03 ppm1      7.981 ppm2      0.437 CV     1
 OR {  774}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
 ASSI {  780}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      2.300     0.700     0.700 peak   780 spectrum    1 weight  0.10000E+01 volume  0.54673E-02 ppm1      8.320 ppm2      1.712 CV     1
 OR {  780}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {   13}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.200     0.600     0.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.88800E-02 ppm1      8.046 ppm2      4.242 CV     1
 OR {   13}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {   48}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
      4.500     2.500     1.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.35623E-03 ppm1      8.633 ppm2      0.839 CV     1
 OR {   48}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {   83}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 6    and name HG1%)
      4.600     2.700     1.400 peak    83 spectrum    1 weight  0.10000E+01 volume  0.31590E-03 ppm1      8.242 ppm2      0.716 CV     1
 OR {   83}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  102}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.900     1.900     1.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.55913E-03 ppm1      8.116 ppm2      4.242 CV     1
 OR {  102}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  109}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      3.400     1.400     1.400 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12396E-02 ppm1      8.108 ppm2      0.716 CV     1
 OR {  109}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI {  144}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.84353E-03 ppm1      8.868 ppm2      8.726 CV     1
 OR {  144}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  147}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.60619E-03 ppm1      8.858 ppm2      8.034 CV     1
 OR {  147}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  158}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.45395E-02 ppm1      8.866 ppm2      4.363 CV     1
 OR {  158}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
 ASSI {  159}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.600     0.800     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.40977E-02 ppm1      8.862 ppm2      4.254 CV     1
 OR {  159}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  175}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
      5.200     3.400     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.16160E-03 ppm1      8.876 ppm2      1.645 CV     1
 OR {  175}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 79   and name HD1 ))
 OR {  175}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  178}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      3.200     1.300     1.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.66432E-03 ppm1      8.876 ppm2      1.097 CV     1
 OR {  178}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  187}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
      4.400     2.400     1.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.44222E-03 ppm1      7.897 ppm2      1.628 CV     1
 OR {  187}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HB% )
 ASSI {  212}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.300     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.55089E-02 ppm1      8.178 ppm2      8.016 CV     1
 OR {  212}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  220}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.23921E-02 ppm1      8.182 ppm2      4.356 CV     1
 OR {  220}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  220}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  220}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  228}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      4.100     2.100     1.900 peak   228 spectrum    1 weight  0.10000E+01 volume  0.83220E-03 ppm1      8.178 ppm2      2.795 CV     1
 OR {  228}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
 OR {  228}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 79   and name HE2 ))
 OR {  228}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 79   and name HE2 ))
 ASSI {  231}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.800     1.800     1.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.83330E-03 ppm1      8.177 ppm2      2.327 CV     1
 OR {  231}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
 OR {  231}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  235}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      2.200     0.600     0.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.50288E-02 ppm1      8.178 ppm2      1.615 CV     1
 OR {  235}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HB% )
 ASSI {  236}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      2.700     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.46047E-02 ppm1      8.176 ppm2      1.867 CV     1
 OR {  236}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  241}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      3.300     1.300     1.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.38702E-02 ppm1      8.179 ppm2      0.737 CV     1
 OR {  241}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  263}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      4.700     2.700     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.31795E-03 ppm1      8.021 ppm2      2.505 CV     1
 OR {  263}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
 ASSI {  270}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
      3.700     1.700     1.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.12930E-02 ppm1      8.026 ppm2      0.906 CV     1
 OR {  270}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
 ASSI {  285}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      4.300     2.300     1.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.59261E-03 ppm1      7.499 ppm2      2.500 CV     1
 OR {  285}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
 ASSI {  293}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
      4.100     2.100     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.63991E-03 ppm1      7.503 ppm2      0.907 CV     1
 OR {  293}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI {  294}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.600     2.600     1.400 peak   294 spectrum    1 weight  0.10000E+01 volume  0.55693E-03 ppm1      7.503 ppm2      0.831 CV     1
 OR {  294}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI {  300}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.500     1.600     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.21887E-02 ppm1      8.176 ppm2      2.648 CV     1
 OR {  300}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 OR {  300}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  301}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.600     1.600 peak   301 spectrum    1 weight  0.10000E+01 volume  0.20291E-02 ppm1      8.180 ppm2      2.658 CV     1
 OR {  301}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  301}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 ASSI {  322}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HG  ))
      4.700     2.800     1.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.23730E-03 ppm1      8.207 ppm2      1.721 CV     1
 OR {  322}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  322}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 58   and name HG  ))
 ASSI {  324}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HB% )
      4.000     2.000     2.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.63930E-03 ppm1      8.210 ppm2      1.616 CV     1
 OR {  324}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  325}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      4.300     2.300     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.38511E-03 ppm1      8.209 ppm2      1.186 CV     1
 OR {  325}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  326}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.700     1.800     1.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      8.210 ppm2      0.906 CV     1
 OR {  326}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
 OR {  326}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  326}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  327}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.100     2.100     1.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.86981E-03 ppm1      8.206 ppm2      0.843 CV     1
 OR {  327}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI {  341}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.400     0.700     0.700 peak   341 spectrum    1 weight  0.10000E+01 volume  0.47897E-02 ppm1      8.171 ppm2      1.458 CV     1
 OR {  341}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  342}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      4.100     2.100     1.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      8.173 ppm2      1.186 CV     1
 OR {  342}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  343}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
      3.300     1.400     1.400 peak   343 spectrum    1 weight  0.10000E+01 volume  0.31962E-02 ppm1      8.173 ppm2      0.921 CV     1
 OR {  343}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 OR {  343}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
 OR {  343}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  344}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.200     3.200     2.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.23659E-02 ppm1      8.173 ppm2      0.828 CV     1
 OR {  344}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
 OR {  344}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  345}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      2.900     2.900     3.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.39275E-02 ppm1      8.176 ppm2      0.732 CV     1
 OR {  345}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  345}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
 ASSI {  364}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.300     1.400     1.400 peak   364 spectrum    1 weight  0.10000E+01 volume  0.26918E-02 ppm1      7.944 ppm2      0.924 CV     1
 OR {  364}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
 OR {  364}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  370}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.78694E-03 ppm1      7.997 ppm2      8.174 CV     1
 OR {  370}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  385}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.100     1.200     1.200 peak   385 spectrum    1 weight  0.10000E+01 volume  0.30503E-02 ppm1      7.993 ppm2      0.924 CV     1
 OR {  385}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  401}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.79503E-03 ppm1      8.635 ppm2      4.416 CV     1
 OR {  401}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  411}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      4.200     2.200     1.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.60319E-03 ppm1      8.635 ppm2      2.660 CV     1
 OR {  411}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
 OR {  411}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  414}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.63842E-03 ppm1      8.637 ppm2      2.038 CV     1
 OR {  414}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  414}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  419}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.700     2.800     1.300 peak   419 spectrum    1 weight  0.10000E+01 volume  0.23234E-03 ppm1      8.634 ppm2      1.748 CV     1
 OR {  419}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  420}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.300     2.300     1.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.42085E-03 ppm1      8.635 ppm2      1.649 CV     1
 OR {  420}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  422}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.800     1.800     1.800 peak   422 spectrum    1 weight  0.10000E+01 volume  0.14117E-02 ppm1      8.635 ppm2      1.182 CV     1
 OR {  422}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  424}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
      2.900     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.27297E-02 ppm1      8.636 ppm2      0.922 CV     1
 OR {  424}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  449}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      4.700     2.700     1.300 peak   449 spectrum    1 weight  0.10000E+01 volume  0.35323E-03 ppm1      8.924 ppm2      1.191 CV     1
 OR {  449}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  450}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.600     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.90788E-03 ppm1      8.924 ppm2      0.921 CV     1
 OR {  450}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  471}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      4.400     2.400     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.57729E-03 ppm1      8.177 ppm2      2.646 CV     1
 OR {  471}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 ASSI {  475}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.37293E-02 ppm1      8.179 ppm2      2.029 CV     1
 OR {  475}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  478}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      4.600     2.700     1.400 peak   478 spectrum    1 weight  0.10000E+01 volume  0.32812E-03 ppm1      8.174 ppm2      1.185 CV     1
 OR {  478}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  479}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.500     1.500     1.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.94187E-03 ppm1      8.178 ppm2      0.924 CV     1
 OR {  479}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  485}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
      3.600     1.700     1.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.68154E-03 ppm1      8.057 ppm2      0.923 CV     1
 OR {  485}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
 OR {  485}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI {  488}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      4.400     2.400     1.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.42210E-03 ppm1      8.044 ppm2      1.176 CV     1
 OR {  488}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  537}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.800     1.800     1.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.79037E-03 ppm1      8.575 ppm2      7.849 CV     1
 OR {  537}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  549}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      4.400     2.400     1.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.20747E-03 ppm1      8.570 ppm2      3.840 CV     1
 OR {  549}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
 ASSI {  575}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.400     2.500     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.48559E-03 ppm1      8.478 ppm2      2.015 CV     1
 OR {  575}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  575}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI {  577}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      4.000     2.000     2.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.53303E-03 ppm1      8.477 ppm2      1.742 CV     1
 OR {  577}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI {  581}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.800     1.800     1.800 peak   581 spectrum    1 weight  0.10000E+01 volume  0.11379E-02 ppm1      8.479 ppm2      0.935 CV     1
 OR {  581}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI {  609}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.200     1.300     1.300 peak   609 spectrum    1 weight  0.10000E+01 volume  0.61190E-03 ppm1      9.169 ppm2      0.922 CV     1
 OR {  609}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  623}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.35652E-02 ppm1      7.834 ppm2      4.298 CV     1
 OR {  623}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  623}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HA1 ))
 ASSI {  628}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.300     0.700     0.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.54784E-02 ppm1      7.835 ppm2      2.017 CV     1
 OR {  628}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR {  628}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI {  639}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      4.400     2.400     1.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.57164E-03 ppm1      7.839 ppm2      0.784 CV     1
 OR {  639}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI {  658}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      3.300     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.27142E-02 ppm1      7.361 ppm2      1.739 CV     1
 OR {  658}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  659}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.300     1.400     1.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.48284E-03 ppm1      7.358 ppm2      1.645 CV     1
 OR {  659}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  659}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI {  660}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.400     1.500     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.45892E-03 ppm1      7.364 ppm2      1.431 CV     1
 OR {  660}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 26   and name HG11))
 ASSI {  681}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.500     2.500     1.500 peak   681 spectrum    1 weight  0.10000E+01 volume  0.41396E-03 ppm1      7.924 ppm2      4.120 CV     1
 OR {  681}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  697}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.600     1.700     1.700 peak   697 spectrum    1 weight  0.10000E+01 volume  0.75166E-03 ppm1      7.959 ppm2      0.921 CV     1
 OR {  697}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  697}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  719}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      2.600     0.800     0.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.49464E-02 ppm1      7.928 ppm2      4.457 CV     1
 OR {  719}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  719}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
 OR {  719}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  737}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.500     1.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      7.897 ppm2      2.473 CV     1
 OR {  737}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI {  745}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
      4.400     2.400     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.37040E-03 ppm1      8.722 ppm2      4.358 CV     1
 OR {  745}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  745}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  757}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.300     2.300     1.700 peak   757 spectrum    1 weight  0.10000E+01 volume  0.31191E-03 ppm1      7.516 ppm2      7.845 CV     1
 OR {  757}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  777}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 42   and name HG12))
      4.800     2.900     1.200 peak   777 spectrum    1 weight  0.10000E+01 volume  0.39633E-03 ppm1      7.516 ppm2      1.195 CV     1
 OR {  777}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  788}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 42   and name HG12))
      5.000     3.100     1.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.18661E-03 ppm1      9.023 ppm2      1.200 CV     1
 OR {  788}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  795}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 69   and name HD% )
      4.400     2.400     1.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.30181E-03 ppm1      9.025 ppm2      7.032 CV     1
 OR {  795}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HE% )
 ASSI {  799}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.67351E-03 ppm1      9.024 ppm2      7.862 CV     1
 OR {  799}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  825}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   825 spectrum    1 weight  0.10000E+01 volume  0.36776E-02 ppm1      8.437 ppm2      4.448 CV     1
 OR {  825}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  828}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.61244E-02 ppm1      8.437 ppm2      2.831 CV     1
 OR {  828}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR {  828}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  838}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   838 spectrum    1 weight  0.10000E+01 volume  0.15920E-02 ppm1      7.865 ppm2      4.454 CV     1
 OR {  838}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  841}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.000     1.100     1.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.21404E-02 ppm1      7.863 ppm2      2.830 CV     1
 OR {  841}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  841}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  846}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.400     0.700     0.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.37869E-02 ppm1      7.862 ppm2      2.296 CV     1
 OR {  846}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  849}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.600     2.600     1.400 peak   849 spectrum    1 weight  0.10000E+01 volume  0.35719E-03 ppm1      7.860 ppm2      0.883 CV     1
 OR {  849}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
 OR {  849}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
 ASSI {  856}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.14637E-02 ppm1      7.867 ppm2      4.455 CV     1
 OR {  856}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  862}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.000     2.000     2.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.25644E-03 ppm1      7.866 ppm2      2.845 CV     1
 OR {  862}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  862}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI {  887}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.900     1.900     1.900 peak   887 spectrum    1 weight  0.10000E+01 volume  0.31097E-03 ppm1      7.723 ppm2      2.829 CV     1
 OR {  887}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 OR {  887}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  963}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name H30%)
      5.000     3.100     1.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.18271E-03 ppm1      7.881 ppm2      0.821 CV     1
 OR {  963}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
 ASSI {  983}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   983 spectrum    1 weight  0.10000E+01 volume  0.90840E-03 ppm1      8.589 ppm2      3.775 CV     1
 OR {  983}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  991}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      4.400     2.400     1.600 peak   991 spectrum    1 weight  0.10000E+01 volume  0.37546E-03 ppm1      8.588 ppm2      1.021 CV     1
 OR {  991}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 1000}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.12569E-02 ppm1      8.442 ppm2      4.220 CV     1
 OR { 1000}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 OR { 1000}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1004}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.44698E-02 ppm1      8.440 ppm2      3.778 CV     1
 OR { 1004}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 1015}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      4.700     2.700     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.33386E-03 ppm1      8.442 ppm2      1.023 CV     1
 OR { 1015}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 1029}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.50315E-02 ppm1      7.533 ppm2      4.210 CV     1
 OR { 1029}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1031}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.20829E-02 ppm1      7.533 ppm2      3.779 CV     1
 OR { 1031}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 1034}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.500     2.500     1.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.26625E-03 ppm1      7.530 ppm2      3.636 CV     1
 OR { 1034}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1040}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      4.100     2.100     1.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.79011E-03 ppm1      7.534 ppm2      1.024 CV     1
 OR { 1040}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 1057}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.51807E-03 ppm1      7.977 ppm2      3.778 CV     1
 OR { 1057}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 1058}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 44   and name H28B))
      3.500     3.500     2.500 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.39930E-03 ppm1      7.966 ppm2      3.729 CV     1
 OR { 1058}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1067}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.600     2.700     1.400 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.29932E-03 ppm1      7.967 ppm2      1.616 CV     1
 OR { 1067}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1074}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 44   and name H31%)
      3.600     3.600     2.400 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.69352E-03 ppm1      7.973 ppm2      0.928 CV     1
 OR { 1074}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI { 1082}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      8.380 ppm2      4.217 CV     1
 OR { 1082}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1083}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      4.700     2.700     1.300 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.35088E-03 ppm1      8.380 ppm2      3.993 CV     1
 OR { 1083}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1133}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HD1 ))
      5.200     3.400     0.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.20932E-03 ppm1      8.156 ppm2      3.296 CV     1
 OR { 1133}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HD2 ))
 OR { 1133}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HD1 ))
 ASSI { 1139}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.600     2.700     1.400 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.35417E-03 ppm1      8.152 ppm2      1.907 CV     1
 OR { 1139}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
 OR { 1139}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 1142}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      3.600     1.600     1.600 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.35869E-03 ppm1      8.153 ppm2      1.019 CV     1
 OR { 1142}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 1143}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      4.700     2.800     1.300 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.26030E-03 ppm1      8.156 ppm2      0.922 CV     1
 OR { 1143}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1145}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
      4.800     2.900     1.200 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.26678E-03 ppm1      8.155 ppm2      0.430 CV     1
 OR { 1145}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
 OR { 1145}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1172}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.200     2.200     1.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.48959E-03 ppm1      8.810 ppm2      7.235 CV     1
 OR { 1172}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
 OR { 1172}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HE  ))
 ASSI { 1177}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      4.100     2.100     1.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.52222E-03 ppm1      8.805 ppm2      4.003 CV     1
 OR { 1177}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1183}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.65403E-03 ppm1      8.805 ppm2      2.082 CV     1
 OR { 1183}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1186}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.500     2.600     1.500 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.49929E-03 ppm1      8.809 ppm2      1.641 CV     1
 OR { 1186}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 1190}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      4.000     2.000     2.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.46836E-03 ppm1      8.809 ppm2      1.185 CV     1
 OR { 1190}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI { 1214}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.400     2.400     1.600 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.65901E-03 ppm1      7.644 ppm2      0.440 CV     1
 OR { 1214}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
 ASSI { 1217}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.300     2.300     1.700 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.31190E-03 ppm1      8.985 ppm2      7.244 CV     1
 OR { 1217}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HE  ))
 ASSI { 1251}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.900     1.900     1.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.70854E-03 ppm1      8.586 ppm2      1.896 CV     1
 OR { 1251}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 1253}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.700     1.700     1.700 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.53365E-03 ppm1      8.588 ppm2      1.645 CV     1
 OR { 1253}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 1254}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      4.700     2.700     1.300 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.35130E-03 ppm1      8.590 ppm2      1.476 CV     1
 OR { 1254}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 1256}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
      4.300     2.300     1.700 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.43968E-03 ppm1      8.590 ppm2      0.921 CV     1
 OR { 1256}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1275}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
      3.900     1.900     1.900 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.10397E-02 ppm1      7.250 ppm2      0.914 CV     1
 OR { 1275}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1297}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
      4.500     2.600     1.500 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.44025E-03 ppm1      6.960 ppm2      0.920 CV     1
 OR { 1297}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1340}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      3.300     3.300     2.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.47091E-03 ppm1      8.602 ppm2      1.466 CV     1
 OR { 1340}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 OR { 1340}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 82   and name HE% )
 ASSI { 1349}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA1 ))
      4.300     2.300     1.700 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.37845E-03 ppm1      7.821 ppm2      4.271 CV     1
 OR { 1349}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1360}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.500     1.500     1.500 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.35523E-03 ppm1      7.819 ppm2      2.000 CV     1
 OR { 1360}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
 OR { 1360}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 1414}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.000     1.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.26340E-02 ppm1      7.446 ppm2      4.353 CV     1
 OR { 1414}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1440}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.400     2.400     1.600 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.43946E-03 ppm1      8.117 ppm2      4.387 CV     1
 OR { 1440}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1473}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     3.400     2.600 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.68413E-03 ppm1      7.769 ppm2      4.210 CV     1
 OR { 1473}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1485}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.300     2.300     1.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.34818E-03 ppm1      7.772 ppm2      1.529 CV     1
 OR { 1485}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 38   and name HB% )
 ASSI { 1507}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      4.100     2.100     1.900 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.63449E-03 ppm1      6.958 ppm2      2.858 CV     1
 OR { 1507}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
 OR { 1507}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1513}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.20415E-02 ppm1      8.206 ppm2      7.755 CV     1
 OR { 1513}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1517}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 69   and name HD% )
      3.800     3.800     2.200 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.26232E-03 ppm1      8.194 ppm2      7.054 CV     1
 OR { 1517}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 37   and name HE% )
 ASSI { 1521}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.30576E-02 ppm1      8.203 ppm2      4.399 CV     1
 OR { 1521}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1533}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG11))
      3.800     1.800     1.800 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      8.205 ppm2      1.191 CV     1
 OR { 1533}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 1543}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 69   and name HD% )
      3.600     3.600     2.400 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.41858E-03 ppm1      7.750 ppm2      7.047 CV     1
 OR { 1543}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 37   and name HE% )
 ASSI { 1584}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      4.500     2.500     1.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.48868E-03 ppm1      8.380 ppm2      1.097 CV     1
 OR { 1584}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1592}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.000     1.100     1.100 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.21502E-02 ppm1      7.099 ppm2      4.346 CV     1
 OR { 1592}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 OR { 1592}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
 ASSI { 1599}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.600     2.700     1.400 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.25168E-03 ppm1      7.642 ppm2      8.702 CV     1
 OR { 1599}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 OR { 1599}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1618}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HG1 ))
      4.500     2.500     1.500 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.51034E-03 ppm1      7.642 ppm2      1.748 CV     1
 OR { 1618}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI { 1621}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      4.700     2.800     1.300 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.16950E-03 ppm1      7.630 ppm2      1.194 CV     1
 OR { 1621}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI { 1633}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      4.800     2.900     1.200 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.31573E-03 ppm1      7.804 ppm2      4.690 CV     1
 OR { 1633}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1637}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.600     2.700     1.400 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.26892E-03 ppm1      7.814 ppm2      2.859 CV     1
 OR { 1637}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HE1 ))
 OR { 1637}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 1638}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      4.500     2.500     1.500 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.30622E-03 ppm1      7.816 ppm2      2.586 CV     1
 OR { 1638}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1641}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.500     1.500     1.500 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.18708E-02 ppm1      7.810 ppm2      1.797 CV     1
 OR { 1641}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI { 1646}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.600     1.700     1.700 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.28232E-03 ppm1      7.813 ppm2      0.919 CV     1
 OR { 1646}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI { 1651}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.35078E-02 ppm1      8.312 ppm2      8.698 CV     1
 OR { 1651}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1660}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.15827E-02 ppm1      8.315 ppm2      4.697 CV     1
 OR { 1660}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1706}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      4.900     3.000     1.100 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.23279E-03 ppm1      8.708 ppm2      1.511 CV     1
 OR { 1706}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1710}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
      4.500     2.500     1.500 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.33883E-03 ppm1      8.713 ppm2      0.846 CV     1
 OR { 1710}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI { 1733}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      4.700     2.800     1.300 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.44232E-03 ppm1      8.347 ppm2      0.740 CV     1
 OR { 1733}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
 ASSI { 1855}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.400     1.400 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.19932E-02 ppm1      7.483 ppm2      2.842 CV     1
 OR { 1855}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 39   and name HB2 ))
 OR { 1855}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1869}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 73   and name HB  ))
      3.700     1.700     1.700 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.10352E-02 ppm1      6.794 ppm2      4.347 CV     1
 OR { 1869}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 74   and name HB  ))
 OR { 1869}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1875}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      4.500     2.600     1.500 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.34299E-03 ppm1      7.997 ppm2      0.915 CV     1
 OR { 1875}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1881}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.400     1.400     1.400 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.10498E-02 ppm1      8.319 ppm2      2.849 CV     1
 OR { 1881}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HE1 ))
 OR { 1881}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 1891}
   (( segid "    " and resid 10   and name HD22))
   (  segid "    " and resid 83   and name HD2%)
      3.500     3.500     2.500 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.35688E-03 ppm1      7.692 ppm2      0.831 CV     1
 OR { 1891}
   (( segid "    " and resid 10   and name HD22))
   (  segid "    " and resid 13   and name HD1%)
 OR { 1891}
   (( segid "    " and resid 10   and name HD22))
   (  segid "    " and resid 83   and name HD1%)
 ASSI { 1894}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.400     2.400     1.600 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.65707E-03 ppm1      8.861 ppm2      2.008 CV     1
 OR { 1894}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1899}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
      3.200     1.300     1.300 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.24834E-02 ppm1      8.503 ppm2      0.840 CV     1
 OR { 1899}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI { 1903}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      4.300     2.300     1.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.42162E-03 ppm1      8.318 ppm2      0.746 CV     1
 OR { 1903}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
 OR { 1903}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1904}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
      3.900     1.900     1.900 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.94116E-03 ppm1      8.341 ppm2      0.861 CV     1
 OR { 1904}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 1904}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {    5}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      2.600     2.600     3.400 peak     5 spectrum    1 weight  0.10000E+01 volume  0.49759E-02 ppm1      0.006 ppm2      1.177 CV     1
 OR {    5}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 19   and name HG2%)
 ASSI {   19}
   (  segid "    " and resid 66   and name HE% )
   (( segid "    " and resid 68   and name HG  ))
      3.600     3.600     2.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.10375E-02 ppm1      6.763 ppm2      1.135 CV     1
 OR {   19}
   (  segid "    " and resid 66   and name HE% )
   (  segid "    " and resid 78   and name HD2%)
 ASSI {   22}
   (  segid "    " and resid 66   and name HE% )
   (( segid "    " and resid 82   and name HG2 ))
      4.200     4.200     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.47255E-03 ppm1      6.765 ppm2      2.488 CV     1
 OR {   22}
   (  segid "    " and resid 66   and name HE% )
   (( segid "    " and resid 16   and name HB  ))
 ASSI {   36}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 58   and name HB2 ))
      4.000     4.000     2.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.93915E-03 ppm1      6.927 ppm2      1.451 CV     1
 OR {   36}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 82   and name HE% )
 ASSI {   37}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 19   and name HG2%)
      3.400     0.000     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.12212E-02 ppm1      6.921 ppm2      1.195 CV     1
 OR {   37}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 20   and name HG2%)
 ASSI {   38}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 58   and name HD2%)
      2.900     2.900     3.100 peak    38 spectrum    1 weight  0.10000E+01 volume  0.31379E-02 ppm1      6.931 ppm2      0.920 CV     1
 OR {   38}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 19   and name HG1%)
 OR {   38}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {   40}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 60   and name HD1%)
      3.100     3.100     2.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.21307E-02 ppm1      6.930 ppm2      0.428 CV     1
 OR {   40}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 62   and name HD1%)
 ASSI {   51}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 72   and name HB2 ))
      3.100     3.100     2.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.22161E-02 ppm1      7.046 ppm2      2.867 CV     1
 OR {   51}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 72   and name HB1 ))
 OR {   51}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 79   and name HE1 ))
 OR {   51}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {   52}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 75   and name HG1%)
      3.100     3.100     2.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.27185E-02 ppm1      7.048 ppm2      0.750 CV     1
 OR {   52}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 42   and name HG2%)
 OR {   52}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 16   and name HG2%)
 ASSI {   55}
   (  segid "    " and resid 69   and name HD% )
   (  segid "    " and resid 38   and name HB% )
      3.400     0.000     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      7.041 ppm2      1.537 CV     1
 OR {   55}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 70   and name HB  ))
 OR {   55}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 50   and name HB  ))
 ASSI {   57}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 78   and name HB2 ))
      3.200     3.200     2.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.83919E-03 ppm1      7.052 ppm2      1.717 CV     1
 OR {   57}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 77   and name HB% )
 ASSI {  142}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 62   and name HD2%)
      3.000     3.000     3.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.28182E-02 ppm1      7.169 ppm2      0.500 CV     1
 OR {  142}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 68   and name HD2%)
 ASSI {  144}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 6    and name HG1%)
      3.400     3.400     2.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.16399E-02 ppm1      7.171 ppm2      0.714 CV     1
 OR {  144}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 16   and name HG2%)
 ASSI {  226}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     3.200     2.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.21771E-02 ppm1      2.905 ppm2      4.336 CV     1
 OR {  226}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  232}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 37   and name HE% )
      4.100     4.100     1.900 peak   232 spectrum    1 weight  0.10000E+01 volume  0.78390E-03 ppm1      2.975 ppm2      7.051 CV     1
 OR {  232}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 69   and name HD% )
 ASSI {  233}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HE% )
      4.300     0.000     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.72537E-03 ppm1      2.907 ppm2      7.056 CV     1
 OR {  233}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 69   and name HD% )
 ASSI {  240}
   (( segid "    " and resid 42   and name HG12))
   (( segid "    " and resid 41   and name HN  ))
      4.200     4.200     1.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.69216E-03 ppm1      1.203 ppm2      7.847 CV     1
 OR {  240}
   (( segid "    " and resid 42   and name HG12))
   (( segid "    " and resid 40   and name HN  ))
 OR {  240}
   (( segid "    " and resid 42   and name HG12))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  269}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HG2 ))
      1.800     1.800     4.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.11816E-01 ppm1      1.881 ppm2      1.640 CV     1
 OR {  269}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  315}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.400     2.400     3.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.91189E-02 ppm1      4.317 ppm2      8.291 CV     1
 OR {  315}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI {  319}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      2.400     2.400     3.600 peak   319 spectrum    1 weight  0.10000E+01 volume  0.92601E-02 ppm1      4.318 ppm2      1.383 CV     1
 OR {  319}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HB% )
 ASSI {  324}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.300     3.300     2.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.28724E-02 ppm1      4.281 ppm2      1.416 CV     1
 OR {  324}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
 ASSI {  330}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.200     0.000     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.21611E-02 ppm1      1.828 ppm2      8.287 CV     1
 OR {  330}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI {  341}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.700     3.700     2.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.77017E-03 ppm1      4.008 ppm2      7.965 CV     1
 OR {  341}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  359}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 7    and name HA2 ))
      4.400     4.400     1.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.10023E-02 ppm1      2.098 ppm2      3.858 CV     1
 OR {  359}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  359}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 7    and name HA1 ))
 OR {  359}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  386}
   (( segid "    " and resid 7    and name HA2 ))
   (  segid "    " and resid 8    and name HG2%)
      3.800     3.800     2.200 peak   386 spectrum    1 weight  0.10000E+01 volume  0.21813E-02 ppm1      3.866 ppm2      0.859 CV     1
 OR {  386}
   (( segid "    " and resid 7    and name HA2 ))
   (  segid "    " and resid 83   and name HD2%)
 OR {  386}
   (( segid "    " and resid 7    and name HA1 ))
   (  segid "    " and resid 8    and name HG2%)
 OR {  386}
   (( segid "    " and resid 7    and name HA1 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  402}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.000     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.43916E-02 ppm1      4.231 ppm2      7.972 CV     1
 OR {  402}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  410}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 60   and name HD2%)
      4.200     4.200     1.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.46521E-03 ppm1      2.129 ppm2      0.623 CV     1
 OR {  410}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 60   and name HD2%)
 OR {  410}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI {  415}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     0.000     0.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.16670E-02 ppm1      2.132 ppm2      7.961 CV     1
 OR {  415}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  418}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 82   and name HE% )
      3.000     0.000     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.50581E-02 ppm1      0.869 ppm2      1.468 CV     1
 OR {  418}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 12   and name HG1 ))
 OR {  418}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  423}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.700     2.700     3.300 peak   423 spectrum    1 weight  0.10000E+01 volume  0.81103E-02 ppm1      0.873 ppm2      4.240 CV     1
 OR {  423}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 83   and name HA  ))
 OR {  423}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  427}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      3.400     3.400     2.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.21741E-02 ppm1      0.866 ppm2      3.872 CV     1
 OR {  427}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HA2 ))
 OR {  427}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HA2 ))
 OR {  427}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HA1 ))
 OR {  427}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA2 ))
 ASSI {  433}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 82   and name HE% )
      3.200     3.200     2.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.28615E-02 ppm1      0.745 ppm2      1.466 CV     1
 OR {  433}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 12   and name HG1 ))
 OR {  433}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  433}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 60   and name HG  ))
 ASSI {  437}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 13   and name HN  ))
      3.800     3.800     2.200 peak   437 spectrum    1 weight  0.10000E+01 volume  0.17849E-02 ppm1      0.742 ppm2      8.179 CV     1
 OR {  437}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  444}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 82   and name HG2 ))
      4.500     4.500     1.500 peak   444 spectrum    1 weight  0.10000E+01 volume  0.52879E-03 ppm1      0.740 ppm2      2.497 CV     1
 OR {  444}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 16   and name HB  ))
 ASSI {  453}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.900     2.900     3.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.54434E-02 ppm1      4.376 ppm2      2.872 CV     1
 OR {  453}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
 OR {  453}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  453}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  479}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.400     0.000     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.99573E-02 ppm1      4.449 ppm2      2.830 CV     1
 OR {  479}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
 OR {  479}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  484}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 13   and name HD2%)
      3.200     3.200     2.800 peak   484 spectrum    1 weight  0.10000E+01 volume  0.32930E-02 ppm1      4.371 ppm2      0.897 CV     1
 OR {  484}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 OR {  484}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
 ASSI {  485}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 20   and name HG1%)
      3.300     3.300     2.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.26454E-02 ppm1      4.411 ppm2      0.918 CV     1
 OR {  485}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  487}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 16   and name HG2%)
      3.200     3.200     2.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.14577E-02 ppm1      4.409 ppm2      0.745 CV     1
 OR {  487}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI {  491}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
      2.800     2.800     3.200 peak   491 spectrum    1 weight  0.10000E+01 volume  0.46746E-02 ppm1      4.415 ppm2      1.982 CV     1
 OR {  491}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  530}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG11))
      3.000     0.000     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.40087E-02 ppm1      4.088 ppm2      1.434 CV     1
 OR {  530}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
 ASSI {  546}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
      3.600     3.600     2.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.23004E-02 ppm1      1.984 ppm2      0.918 CV     1
 OR {  546}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 20   and name HG1%)
 OR {  546}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 58   and name HD2%)
 OR {  546}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  546}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  547}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 49   and name HG1%)
      4.100     4.100     1.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.71605E-03 ppm1      2.033 ppm2      0.804 CV     1
 OR {  547}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  547}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  550}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.000     2.000     4.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.97333E-02 ppm1      2.041 ppm2      1.630 CV     1
 OR {  550}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  550}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  565}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.000     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.43280E-02 ppm1      1.987 ppm2      8.187 CV     1
 OR {  565}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 OR {  565}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  570}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     2.900     3.100 peak   570 spectrum    1 weight  0.10000E+01 volume  0.47736E-02 ppm1      2.045 ppm2      8.175 CV     1
 OR {  570}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR {  570}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  571}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     0.000     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.27894E-02 ppm1      2.278 ppm2      8.194 CV     1
 OR {  571}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  585}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 77   and name HB% )
      2.900     2.900     3.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.28993E-02 ppm1      2.871 ppm2      1.723 CV     1
 OR {  585}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 77   and name HB% )
 OR {  585}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {  598}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.500     3.500     2.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.10433E-02 ppm1      2.327 ppm2      1.641 CV     1
 OR {  598}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 28   and name HB1 ))
 OR {  598}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  598}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  598}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  598}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  599}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 15   and name HB% )
      3.500     0.000     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10411E-02 ppm1      2.334 ppm2      1.611 CV     1
 OR {  599}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 15   and name HB% )
 OR {  599}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  600}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      4.900     4.900     1.100 peak   600 spectrum    1 weight  0.10000E+01 volume  0.25429E-03 ppm1      2.332 ppm2      1.860 CV     1
 OR {  600}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  600}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 18   and name HG1 ))
 ASSI {  601}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.200     2.200     3.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.17508E-01 ppm1      2.337 ppm2      2.052 CV     1
 OR {  601}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  601}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB1 ))
 OR {  601}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  606}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     2.700     3.300 peak   606 spectrum    1 weight  0.10000E+01 volume  0.58384E-02 ppm1      2.339 ppm2      4.141 CV     1
 OR {  606}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  606}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  608}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.800     3.800     2.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      2.338 ppm2      4.350 CV     1
 OR {  608}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  608}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  608}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  608}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  608}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  609}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.300     4.300     1.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.78921E-03 ppm1      2.330 ppm2      8.178 CV     1
 OR {  609}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 13   and name HN  ))
 OR {  609}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  613}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     3.400     2.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.30438E-02 ppm1      2.339 ppm2      8.638 CV     1
 OR {  613}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HN  ))
 OR {  613}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  624}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 26   and name HB  ))
      4.500     4.500     1.500 peak   624 spectrum    1 weight  0.10000E+01 volume  0.49686E-03 ppm1      2.244 ppm2      1.750 CV     1
 OR {  624}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI {  626}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     3.400     2.600 peak   626 spectrum    1 weight  0.10000E+01 volume  0.10541E-02 ppm1      2.245 ppm2      4.028 CV     1
 OR {  626}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 29   and name HA  ))
 OR {  626}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  632}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.000     4.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.56708E-03 ppm1      4.195 ppm2      8.034 CV     1
 OR {  632}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  634}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     0.000     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.16250E-02 ppm1      4.199 ppm2      8.176 CV     1
 OR {  634}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  638}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      4.800     4.800     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.54604E-03 ppm1      4.192 ppm2      0.731 CV     1
 OR {  638}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 16   and name HG2%)
 ASSI {  639}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 16   and name HG1%)
      4.200     0.000     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.60671E-03 ppm1      4.191 ppm2      0.632 CV     1
 OR {  639}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI {  654}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 8    and name HG1%)
      3.700     3.700     2.300 peak   654 spectrum    1 weight  0.10000E+01 volume  0.10473E-02 ppm1      1.916 ppm2      0.744 CV     1
 OR {  654}
   (( segid "    " and resid 76   and name HB1 ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI {  661}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HE1 ))
      3.000     3.000     3.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.28672E-02 ppm1      1.473 ppm2      2.974 CV     1
 OR {  661}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HE1 ))
 OR {  661}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HE2 ))
 OR {  661}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE1 ))
 OR {  661}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HE2 ))
 OR {  661}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE2 ))
 ASSI {  666}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.500     4.500     1.500 peak   666 spectrum    1 weight  0.10000E+01 volume  0.55241E-03 ppm1      1.475 ppm2      8.192 CV     1
 OR {  666}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 13   and name HN  ))
 OR {  666}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  669}
   (( segid "    " and resid 12   and name HG1 ))
   (  segid "    " and resid 8    and name HG1%)
      3.900     3.900     2.100 peak   669 spectrum    1 weight  0.10000E+01 volume  0.10881E-02 ppm1      1.485 ppm2      0.740 CV     1
 OR {  669}
   (( segid "    " and resid 12   and name HG2 ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  669}
   (( segid "    " and resid 60   and name HG  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  673}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     3.500     2.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.17283E-02 ppm1      1.650 ppm2      4.198 CV     1
 OR {  673}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  676}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HE2 ))
      3.000     3.000     3.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.21884E-02 ppm1      1.646 ppm2      2.972 CV     1
 OR {  676}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  676}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HE1 ))
 ASSI {  682}
   (( segid "    " and resid 12   and name HD2 ))
   (  segid "    " and resid 60   and name HD2%)
      3.800     3.800     2.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.78532E-03 ppm1      1.652 ppm2      0.632 CV     1
 OR {  682}
   (( segid "    " and resid 55   and name HG2 ))
   (  segid "    " and resid 60   and name HD2%)
 OR {  682}
   (( segid "    " and resid 18   and name HG2 ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI {  683}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HG12))
      4.200     4.200     1.800 peak   683 spectrum    1 weight  0.10000E+01 volume  0.76441E-03 ppm1      1.655 ppm2      0.443 CV     1
 OR {  683}
   (( segid "    " and resid 12   and name HD2 ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  683}
   (( segid "    " and resid 55   and name HG2 ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  691}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     3.100     2.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.21430E-02 ppm1      1.954 ppm2      4.358 CV     1
 OR {  691}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  700}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      2.400     2.400     3.600 peak   700 spectrum    1 weight  0.10000E+01 volume  0.63732E-02 ppm1      1.960 ppm2      1.728 CV     1
 OR {  700}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HG  ))
 ASSI {  703}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB  ))
      3.100     3.100     2.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.43140E-02 ppm1      3.881 ppm2      2.503 CV     1
 OR {  703}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  704}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     0.000     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.40684E-02 ppm1      3.876 ppm2      8.184 CV     1
 OR {  704}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  707}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.700     2.700     3.300 peak   707 spectrum    1 weight  0.10000E+01 volume  0.32334E-02 ppm1      3.878 ppm2      1.439 CV     1
 OR {  707}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 82   and name HE% )
 ASSI {  708}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      2.600     2.600     3.400 peak   708 spectrum    1 weight  0.10000E+01 volume  0.58810E-02 ppm1      3.880 ppm2      0.863 CV     1
 OR {  708}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  709}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 16   and name HG2%)
      3.700     3.700     2.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.24111E-02 ppm1      3.893 ppm2      0.740 CV     1
 OR {  709}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 82   and name HG2 ))
      3.100     3.100     2.900 peak   718 spectrum    1 weight  0.10000E+01 volume  0.46932E-02 ppm1      0.863 ppm2      2.503 CV     1
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 16   and name HB  ))
 ASSI {  721}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
      4.000     4.000     2.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      0.863 ppm2      2.674 CV     1
 OR {  721}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  739}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     3.000     3.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.24394E-02 ppm1      4.343 ppm2      8.191 CV     1
 OR {  739}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 OR {  739}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 OR {  739}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  744}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.300     3.300     2.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.20650E-02 ppm1      4.457 ppm2      7.233 CV     1
 OR {  744}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HE% )
 ASSI {  747}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.300     3.300     2.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.18016E-02 ppm1      4.377 ppm2      7.725 CV     1
 OR {  747}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  748}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      3.100     3.100     2.900 peak   748 spectrum    1 weight  0.10000E+01 volume  0.17108E-02 ppm1      4.344 ppm2      1.977 CV     1
 OR {  748}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  750}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HG  ))
      3.800     3.800     2.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.13532E-02 ppm1      4.369 ppm2      1.749 CV     1
 OR {  750}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 76   and name HG1 ))
 ASSI {  752}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.000     3.000     3.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.18510E-02 ppm1      4.377 ppm2      1.523 CV     1
 OR {  752}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
 ASSI {  754}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 58   and name HD2%)
      2.900     2.900     3.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.32142E-02 ppm1      4.454 ppm2      0.921 CV     1
 OR {  754}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
 OR {  754}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  755}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 83   and name HD2%)
      3.300     3.300     2.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.27312E-02 ppm1      4.375 ppm2      0.838 CV     1
 OR {  755}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  755}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
 OR {  755}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI {  758}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.000     0.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.69319E-02 ppm1      4.365 ppm2      2.777 CV     1
 OR {  758}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  759}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.300     0.000     0.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.96984E-02 ppm1      4.359 ppm2      2.672 CV     1
 OR {  759}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  762}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.700     1.700     4.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.32636E-01 ppm1      2.677 ppm2      2.779 CV     1
 OR {  762}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  767}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     3.600     2.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.19073E-02 ppm1      2.792 ppm2      4.139 CV     1
 OR {  767}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  767}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  777}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     0.000     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.20846E-02 ppm1      2.797 ppm2      7.504 CV     1
 OR {  777}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  783}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 76   and name HG1 ))
      3.400     3.400     2.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.76370E-03 ppm1      2.681 ppm2      1.734 CV     1
 OR {  783}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 13   and name HG  ))
 ASSI {  802}
   (  segid "    " and resid 15   and name HB% )
   (  segid "    " and resid 16   and name HG2%)
      4.400     4.400     1.600 peak   802 spectrum    1 weight  0.10000E+01 volume  0.70032E-03 ppm1      1.615 ppm2      0.722 CV     1
 OR {  802}
   (  segid "    " and resid 15   and name HB% )
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  805}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 58   and name HB1 ))
      4.100     4.100     1.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.83938E-03 ppm1      1.612 ppm2      2.511 CV     1
 OR {  805}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 16   and name HB  ))
 ASSI {  810}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 12   and name HE2 ))
      4.300     4.300     1.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.58813E-03 ppm1      1.622 ppm2      2.990 CV     1
 OR {  810}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 57   and name HB1 ))
 OR {  810}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 12   and name HE1 ))
 ASSI {  817}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      2.700     2.700     3.300 peak   817 spectrum    1 weight  0.10000E+01 volume  0.47572E-02 ppm1      1.620 ppm2      8.181 CV     1
 OR {  817}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  822}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
      3.400     3.400     2.600 peak   822 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      2.504 ppm2      0.874 CV     1
 OR {  822}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  825}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 58   and name HG  ))
      4.600     4.600     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.44513E-03 ppm1      2.504 ppm2      1.721 CV     1
 OR {  825}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  825}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {  826}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 82   and name HB2 ))
      5.400     5.400     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.21291E-03 ppm1      2.493 ppm2      1.690 CV     1
 OR {  826}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  826}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {  827}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 15   and name HB% )
      4.500     4.500     1.500 peak   827 spectrum    1 weight  0.10000E+01 volume  0.33790E-03 ppm1      2.502 ppm2      1.610 CV     1
 OR {  827}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  832}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     2.600     3.400 peak   832 spectrum    1 weight  0.10000E+01 volume  0.62284E-02 ppm1      2.504 ppm2      8.189 CV     1
 OR {  832}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  833}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      4.900     4.900     1.100 peak   833 spectrum    1 weight  0.10000E+01 volume  0.34629E-03 ppm1      2.503 ppm2      1.189 CV     1
 OR {  833}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  848}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.000     4.000     2.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.63952E-03 ppm1      2.646 ppm2      3.889 CV     1
 OR {  848}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 35   and name HB1 ))
 OR {  848}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  852}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     2.900     3.100 peak   852 spectrum    1 weight  0.10000E+01 volume  0.36792E-02 ppm1      2.655 ppm2      8.197 CV     1
 OR {  852}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  856}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     3.500     2.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.23619E-02 ppm1      2.711 ppm2      7.862 CV     1
 OR {  856}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  857}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     3.100     2.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.23566E-02 ppm1      2.624 ppm2      7.861 CV     1
 OR {  857}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  859}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     2.600     3.400 peak   859 spectrum    1 weight  0.10000E+01 volume  0.53871E-02 ppm1      2.636 ppm2      2.299 CV     1
 OR {  859}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  860}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.300     2.300     3.700 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10196E-01 ppm1      2.704 ppm2      2.305 CV     1
 OR {  860}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  863}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 13   and name HG  ))
      3.800     3.800     2.200 peak   863 spectrum    1 weight  0.10000E+01 volume  0.82643E-03 ppm1      2.652 ppm2      1.731 CV     1
 OR {  863}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  863}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 58   and name HG  ))
 ASSI {  864}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG2%)
      2.500     2.500     3.500 peak   864 spectrum    1 weight  0.10000E+01 volume  0.62351E-02 ppm1      2.648 ppm2      1.195 CV     1
 OR {  864}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  866}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.400     3.400     2.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.18988E-02 ppm1      2.918 ppm2      0.888 CV     1
 OR {  866}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI {  868}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 16   and name HG2%)
      3.300     3.300     2.700 peak   868 spectrum    1 weight  0.10000E+01 volume  0.15269E-02 ppm1      2.640 ppm2      0.749 CV     1
 OR {  868}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 16   and name HG2%)
 OR {  868}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI {  870}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 13   and name HG  ))
      3.500     3.500     2.500 peak   870 spectrum    1 weight  0.10000E+01 volume  0.71307E-03 ppm1      2.916 ppm2      1.724 CV     1
 OR {  870}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI {  884}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     2.900     3.100 peak   884 spectrum    1 weight  0.10000E+01 volume  0.35265E-02 ppm1      2.029 ppm2      8.178 CV     1
 OR {  884}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 OR {  884}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR {  884}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  895}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG1 ))
      2.800     2.800     3.200 peak   895 spectrum    1 weight  0.10000E+01 volume  0.29959E-02 ppm1      2.034 ppm2      2.636 CV     1
 OR {  895}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HB  ))
 ASSI {  903}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
      2.500     2.500     3.500 peak   903 spectrum    1 weight  0.10000E+01 volume  0.39757E-02 ppm1      2.030 ppm2      0.944 CV     1
 OR {  903}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI {  912}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HG1 ))
      4.400     4.400     1.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.44701E-03 ppm1      4.025 ppm2      2.649 CV     1
 OR {  912}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
 OR {  912}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  920}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.400     2.400     3.600 peak   920 spectrum    1 weight  0.10000E+01 volume  0.76208E-02 ppm1      3.284 ppm2      1.884 CV     1
 OR {  920}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  920}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
 OR {  920}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  920}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  922}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HG2 ))
      2.300     0.000     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.85634E-02 ppm1      3.278 ppm2      1.636 CV     1
 OR {  922}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  925}
   (( segid "    " and resid 18   and name HD2 ))
   (  segid "    " and resid 28   and name HD2%)
      4.200     4.200     1.800 peak   925 spectrum    1 weight  0.10000E+01 volume  0.83349E-03 ppm1      3.184 ppm2      0.924 CV     1
 OR {  925}
   (( segid "    " and resid 18   and name HD2 ))
   (  segid "    " and resid 58   and name HD2%)
 OR {  925}
   (( segid "    " and resid 18   and name HD2 ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  926}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 49   and name HG1%)
      3.900     3.900     2.100 peak   926 spectrum    1 weight  0.10000E+01 volume  0.15054E-02 ppm1      3.286 ppm2      0.817 CV     1
 OR {  926}
   (( segid "    " and resid 18   and name HD1 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  927}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 19   and name HG2%)
      4.200     4.200     1.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.48052E-03 ppm1      3.277 ppm2      1.197 CV     1
 OR {  927}
   (( segid "    " and resid 18   and name HD1 ))
   (  segid "    " and resid 19   and name HG2%)
 OR {  927}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI {  932}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     3.300     2.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.16770E-02 ppm1      3.281 ppm2      4.126 CV     1
 OR {  932}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  932}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 63   and name HA2 ))
 ASSI {  942}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.700     3.700     2.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.76512E-03 ppm1      3.277 ppm2      7.819 CV     1
 OR {  942}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 62   and name HN  ))
 OR {  942}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  956}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.800     3.800     2.200 peak   956 spectrum    1 weight  0.10000E+01 volume  0.94504E-03 ppm1      3.314 ppm2      4.354 CV     1
 OR {  956}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  956}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 80   and name HA  ))
 OR {  956}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  956}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  969}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 20   and name HG1%)
      2.000     2.000     4.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.21810E-01 ppm1      1.201 ppm2      0.924 CV     1
 OR {  969}
   (  segid "    " and resid 19   and name HG2%)
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  971}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
      3.700     0.000     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.25130E-02 ppm1      1.196 ppm2      2.037 CV     1
 OR {  971}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  971}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HB1 ))
 OR {  971}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  973}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 78   and name HB2 ))
      3.600     3.600     2.400 peak   973 spectrum    1 weight  0.10000E+01 volume  0.18432E-02 ppm1      1.200 ppm2      1.724 CV     1
 OR {  973}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 58   and name HG  ))
 OR {  973}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 31   and name HG  ))
 ASSI {  974}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HG2 ))
      3.500     3.500     2.500 peak   974 spectrum    1 weight  0.10000E+01 volume  0.26301E-02 ppm1      1.198 ppm2      1.628 CV     1
 OR {  974}
   (  segid "    " and resid 19   and name HG2%)
   (  segid "    " and resid 15   and name HB% )
 OR {  974}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 53   and name HG2 ))
 OR {  974}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  975}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
      3.800     0.000     0.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1      0.930 ppm2      2.032 CV     1
 OR {  975}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 23   and name HB1 ))
 OR {  975}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  978}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.800     3.800     2.200 peak   978 spectrum    1 weight  0.10000E+01 volume  0.16962E-02 ppm1      0.933 ppm2      1.627 CV     1
 OR {  978}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 23   and name HB2 ))
 OR {  978}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  986}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      3.200     0.000     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.22559E-02 ppm1      1.199 ppm2      3.447 CV     1
 OR {  986}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  989}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.500     3.500     2.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.19955E-02 ppm1      0.861 ppm2      4.339 CV     1
 OR {  989}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  990}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 82   and name HG1 ))
      3.300     3.300     2.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.16564E-02 ppm1      0.862 ppm2      2.781 CV     1
 OR {  990}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 79   and name HE2 ))
 OR {  990}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1010}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.400     0.000     0.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.69637E-03 ppm1      3.344 ppm2      2.023 CV     1
 OR { 1010}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1018}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HG1%)
      2.500     0.000     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.63654E-02 ppm1      3.352 ppm2      0.923 CV     1
 OR { 1018}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI { 1019}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 16   and name HG2%)
      5.100     5.100     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.39620E-03 ppm1      3.351 ppm2      0.736 CV     1
 OR { 1019}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI { 1034}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 68   and name HD2%)
      3.500     3.500     2.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.23385E-02 ppm1      1.179 ppm2      0.505 CV     1
 OR { 1034}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 68   and name HD2%)
 OR { 1034}
   (  segid "    " and resid 19   and name HG2%)
   (  segid "    " and resid 68   and name HD2%)
 ASSI { 1035}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 16   and name HG2%)
      2.600     2.600     3.400 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.41300E-02 ppm1      1.181 ppm2      0.746 CV     1
 OR { 1035}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 75   and name HG1%)
 ASSI { 1040}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.000     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.70563E-02 ppm1      1.180 ppm2      7.991 CV     1
 OR { 1040}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1041}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      3.000     0.000     0.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.31876E-02 ppm1      1.181 ppm2      7.229 CV     1
 OR { 1041}
   (  segid "    " and resid 19   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 1044}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 54   and name HZ  ))
      2.700     2.700     3.300 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.49499E-02 ppm1      1.184 ppm2      6.811 CV     1
 OR { 1044}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 36   and name HD21))
 ASSI { 1045}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      3.200     3.200     2.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.16650E-02 ppm1      1.197 ppm2      3.882 CV     1
 OR { 1045}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 OR { 1045}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 35   and name HB1 ))
 OR { 1045}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1048}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.600     0.000     0.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.54868E-02 ppm1      4.323 ppm2      3.964 CV     1
 OR { 1048}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1061}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.300     0.000     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.74615E-03 ppm1      3.961 ppm2      2.035 CV     1
 OR { 1061}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR { 1061}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 1065}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.400     3.400     2.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.24885E-02 ppm1      4.088 ppm2      0.885 CV     1
 OR { 1065}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
 ASSI { 1104}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
      4.900     4.900     1.100 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.15307E-03 ppm1      1.964 ppm2      3.635 CV     1
 OR { 1104}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1114}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      4.000     4.000     2.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.11241E-02 ppm1      4.403 ppm2      0.902 CV     1
 OR { 1114}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI { 1127}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 42   and name HD1%)
      3.400     3.400     2.600 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.17921E-02 ppm1      3.978 ppm2      0.766 CV     1
 OR { 1127}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1128}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
      3.100     3.100     2.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.20785E-02 ppm1      3.975 ppm2      0.907 CV     1
 OR { 1128}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI { 1130}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 42   and name HD1%)
      3.800     3.800     2.200 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.86075E-03 ppm1      3.773 ppm2      0.781 CV     1
 OR { 1130}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1131}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 75   and name HG1%)
      4.000     4.000     2.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.11274E-02 ppm1      3.773 ppm2      0.750 CV     1
 OR { 1131}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1159}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 79   and name HN  ))
      4.300     0.000     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.65105E-03 ppm1      1.734 ppm2      8.702 CV     1
 OR { 1159}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1160}
   (  segid "    " and resid 77   and name HB% )
   (  segid "    " and resid 73   and name HG2%)
      3.600     3.600     2.400 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.80643E-03 ppm1      1.730 ppm2      1.200 CV     1
 OR { 1160}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 1161}
   (  segid "    " and resid 77   and name HB% )
   (  segid "    " and resid 74   and name HG2%)
      3.400     3.400     2.600 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.87972E-03 ppm1      1.726 ppm2      1.090 CV     1
 OR { 1161}
   (  segid "    " and resid 77   and name HB% )
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1173}
   (( segid "    " and resid 26   and name HG12))
   (( segid "    " and resid 30   and name HB2 ))
      4.500     4.500     1.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.84424E-03 ppm1      1.096 ppm2      2.030 CV     1
 OR { 1173}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1180}
   (( segid "    " and resid 26   and name HG12))
   (( segid "    " and resid 31   and name HA  ))
      4.500     4.500     1.500 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.51155E-03 ppm1      1.100 ppm2      4.412 CV     1
 OR { 1180}
   (( segid "    " and resid 26   and name HG12))
   (( segid "    " and resid 24   and name HA  ))
 OR { 1180}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1187}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      4.300     0.000     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.67973E-03 ppm1      1.093 ppm2      8.704 CV     1
 OR { 1187}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1190}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      4.300     4.300     1.700 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.86062E-03 ppm1      4.037 ppm2      0.936 CV     1
 OR { 1190}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 1197}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.200     4.200     1.800 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.86819E-03 ppm1      4.047 ppm2      2.023 CV     1
 OR { 1197}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 1197}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 1206}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 30   and name HB2 ))
      2.600     2.600     3.400 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.47648E-02 ppm1      1.431 ppm2      2.018 CV     1
 OR { 1206}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1210}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      3.000     3.000     3.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.29113E-02 ppm1      3.822 ppm2      0.919 CV     1
 OR { 1210}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 20   and name HG1%)
 OR { 1210}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 13   and name HD2%)
 OR { 1210}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 1211}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.700     0.000     0.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.20271E-02 ppm1      3.819 ppm2      2.019 CV     1
 OR { 1211}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR { 1211}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 1211}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 1214}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.100     3.100     2.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.30124E-02 ppm1      3.819 ppm2      1.641 CV     1
 OR { 1214}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 OR { 1214}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 1220}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     3.300     2.700 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.19057E-02 ppm1      3.819 ppm2      8.702 CV     1
 OR { 1220}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1229}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.800     3.800     2.200 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.15049E-02 ppm1      1.645 ppm2      4.039 CV     1
 OR { 1229}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
 OR { 1229}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR { 1229}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
 OR { 1229}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 1234}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      2.800     2.800     3.200 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.43044E-02 ppm1      0.898 ppm2      3.855 CV     1
 OR { 1234}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1245}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      3.600     3.600     2.400 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.15904E-02 ppm1      0.903 ppm2      8.189 CV     1
 OR { 1245}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
 OR { 1245}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 17   and name HN  ))
 OR { 1245}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1252}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 79   and name HB1 ))
      2.900     0.000     0.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.31311E-02 ppm1      0.899 ppm2      2.031 CV     1
 OR { 1252}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 18   and name HB1 ))
 OR { 1252}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1253}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
      2.800     2.800     3.200 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.43197E-02 ppm1      0.898 ppm2      1.983 CV     1
 OR { 1253}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1260}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 17   and name HB1 ))
      3.200     3.200     2.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.15400E-02 ppm1      0.938 ppm2      2.272 CV     1
 OR { 1260}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
 OR { 1260}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1281}
   (( segid "    " and resid 29   and name HG1 ))
   (  segid "    " and resid 28   and name HD2%)
      3.700     3.700     2.300 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.63767E-03 ppm1      2.320 ppm2      0.928 CV     1
 OR { 1281}
   (( segid "    " and resid 29   and name HG2 ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 1281}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 19   and name HG1%)
 OR { 1281}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 1281}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 20   and name HG1%)
 OR { 1281}
   (( segid "    " and resid 29   and name HG1 ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1281}
   (( segid "    " and resid 29   and name HG2 ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI { 1282}
   (( segid "    " and resid 29   and name HG1 ))
   (  segid "    " and resid 28   and name HD1%)
      4.600     0.000     0.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.35603E-03 ppm1      2.324 ppm2      0.891 CV     1
 OR { 1282}
   (( segid "    " and resid 29   and name HG2 ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 1282}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 58   and name HD2%)
 OR { 1282}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 13   and name HD2%)
 OR { 1282}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 13   and name HD2%)
 OR { 1282}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 58   and name HD2%)
 ASSI { 1284}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.900     0.000     0.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.46549E-02 ppm1      4.298 ppm2      2.024 CV     1
 OR { 1284}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1287}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HA  ))
      5.000     5.000     1.000 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.16626E-03 ppm1      4.295 ppm2      4.029 CV     1
 OR { 1287}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1293}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      3.600     3.600     2.400 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.13690E-02 ppm1      4.430 ppm2      0.908 CV     1
 OR { 1293}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 1293}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI { 1297}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.600     3.600     2.400 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.97936E-03 ppm1      4.433 ppm2      2.249 CV     1
 OR { 1297}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1299}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.200     3.200     2.800 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.15685E-02 ppm1      4.438 ppm2      1.735 CV     1
 OR { 1299}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1303}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 26   and name HG11))
      4.300     4.300     1.700 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.35293E-03 ppm1      0.864 ppm2      1.443 CV     1
 OR { 1303}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 27   and name HB% )
 OR { 1303}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 82   and name HE% )
 ASSI { 1307}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      2.600     2.600     3.400 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.54744E-02 ppm1      0.860 ppm2      2.009 CV     1
 OR { 1307}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 79   and name HB1 ))
 OR { 1307}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1308}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 28   and name HB2 ))
      3.100     3.100     2.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.21193E-02 ppm1      0.860 ppm2      1.628 CV     1
 OR { 1308}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 79   and name HD1 ))
 OR { 1308}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 79   and name HD2 ))
 OR { 1308}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 28   and name HG  ))
 OR { 1308}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1312}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 17   and name HA  ))
      3.400     3.400     2.600 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.14366E-02 ppm1      0.861 ppm2      4.426 CV     1
 OR { 1312}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1314}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 21   and name HB1 ))
      2.900     2.900     3.100 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.15014E-02 ppm1      0.859 ppm2      4.072 CV     1
 OR { 1314}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1315}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 21   and name HB2 ))
      2.900     2.900     3.100 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.23322E-02 ppm1      0.862 ppm2      3.966 CV     1
 OR { 1315}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1325}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.500     2.500     3.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.53257E-02 ppm1      0.783 ppm2      1.738 CV     1
 OR { 1325}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1340}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      4.700     4.700     1.300 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.33360E-03 ppm1      4.434 ppm2      0.934 CV     1
 OR { 1340}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 20   and name HG1%)
 OR { 1340}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1340}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI { 1344}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     3.200     2.800 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.17611E-02 ppm1      4.469 ppm2      7.937 CV     1
 OR { 1344}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1354}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      2.500     2.500     3.500 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.62532E-02 ppm1      4.238 ppm2      0.912 CV     1
 OR { 1354}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 1354}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 1362}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     0.000     0.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.37703E-02 ppm1      4.208 ppm2      7.534 CV     1
 OR { 1362}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1380}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 75   and name HG2%)
      5.500     5.500     0.500 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.17510E-03 ppm1      2.558 ppm2      0.909 CV     1
 OR { 1380}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 1380}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 1392}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      4.400     4.400     1.600 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.10335E-02 ppm1      2.564 ppm2      4.448 CV     1
 OR { 1392}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 32   and name HB  ))
 OR { 1392}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HB  ))
 OR { 1392}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 OR { 1392}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1400}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     2.700     3.300 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.53535E-02 ppm1      2.561 ppm2      8.721 CV     1
 OR { 1400}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 OR { 1400}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1404}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB1 ))
      1.900     1.900     4.100 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.15989E-01 ppm1      2.564 ppm2      2.841 CV     1
 OR { 1404}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR { 1404}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1417}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.000     0.000     0.000 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.13336E-02 ppm1      4.105 ppm2      2.837 CV     1
 OR { 1417}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
 OR { 1417}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1422}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      2.700     2.700     3.300 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.57372E-02 ppm1      3.884 ppm2      0.745 CV     1
 OR { 1422}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
 OR { 1422}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 75   and name HG1%)
 OR { 1422}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI { 1425}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HG1 ))
      3.700     3.700     2.300 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.98065E-03 ppm1      3.878 ppm2      2.719 CV     1
 OR { 1425}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 40   and name HG1 ))
 OR { 1425}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 48   and name HB1 ))
 OR { 1425}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 1428}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.100     3.100     2.900 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.23396E-02 ppm1      4.920 ppm2      2.839 CV     1
 OR { 1428}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
 OR { 1428}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1433}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 75   and name HG1%)
      3.800     3.800     2.200 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.14654E-02 ppm1      4.916 ppm2      0.746 CV     1
 OR { 1433}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1446}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     0.000     0.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.98557E-03 ppm1      4.337 ppm2      7.858 CV     1
 OR { 1446}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1467}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 78   and name HD1%)
      4.500     4.500     1.500 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.39005E-03 ppm1      7.324 ppm2      1.081 CV     1
 OR { 1467}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 74   and name HG2%)
 ASSI { 1468}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 20   and name HG1%)
      4.300     4.300     1.700 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.91714E-03 ppm1      7.328 ppm2      0.918 CV     1
 OR { 1468}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 1471}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 20   and name HG2%)
      3.700     3.700     2.300 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.10382E-02 ppm1      7.051 ppm2      1.173 CV     1
 OR { 1471}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 70   and name HG11))
 ASSI { 1475}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     0.000     0.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.17513E-02 ppm1      4.462 ppm2      7.852 CV     1
 OR { 1475}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1481}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 36   and name HB1 ))
      3.400     3.400     2.600 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.17910E-02 ppm1      1.541 ppm2      2.856 CV     1
 OR { 1481}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 1485}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 40   and name HN  ))
      4.200     4.200     1.800 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.85991E-03 ppm1      1.543 ppm2      7.860 CV     1
 OR { 1485}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1495}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     2.900     3.100 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.29915E-02 ppm1      4.375 ppm2      8.180 CV     1
 OR { 1495}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 OR { 1495}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1504}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     0.000     0.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.21283E-02 ppm1      4.447 ppm2      7.853 CV     1
 OR { 1504}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1505}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     2.600     3.400 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.54998E-02 ppm1      4.374 ppm2      7.863 CV     1
 OR { 1505}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1511}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     3.200     2.800 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.22098E-02 ppm1      2.823 ppm2      7.853 CV     1
 OR { 1511}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
 OR { 1511}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1522}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.100     4.100     1.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.69119E-03 ppm1      2.767 ppm2      1.902 CV     1
 OR { 1522}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 83   and name HB1 ))
 OR { 1522}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 1525}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 77   and name HB% )
      3.600     3.600     2.400 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.14747E-02 ppm1      2.765 ppm2      1.726 CV     1
 OR { 1525}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HG  ))
 OR { 1525}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 13   and name HG  ))
 ASSI { 1526}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 15   and name HB% )
      3.900     3.900     2.100 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.79167E-03 ppm1      2.782 ppm2      1.622 CV     1
 OR { 1526}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 15   and name HB% )
 OR { 1526}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 1527}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 19   and name HG1%)
      3.800     3.800     2.200 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.37100E-03 ppm1      3.007 ppm2      0.933 CV     1
 OR { 1527}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1528}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 19   and name HG1%)
      4.300     4.300     1.700 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.53921E-03 ppm1      2.771 ppm2      0.921 CV     1
 OR { 1528}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 58   and name HD2%)
 OR { 1528}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 1528}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 13   and name HD2%)
 OR { 1528}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 58   and name HD2%)
 ASSI { 1530}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
      3.700     3.700     2.300 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.17829E-02 ppm1      2.762 ppm2      0.829 CV     1
 OR { 1530}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI { 1533}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.100     3.100     2.900 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.30081E-02 ppm1      4.375 ppm2      1.636 CV     1
 OR { 1533}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 79   and name HD1 ))
 OR { 1533}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 1534}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.600     0.000     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.52666E-02 ppm1      4.374 ppm2      2.025 CV     1
 OR { 1534}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1550}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     2.900     3.100 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.25385E-02 ppm1      2.332 ppm2      7.862 CV     1
 OR { 1550}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
 OR { 1550}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1551}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     2.900     3.100 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.20216E-02 ppm1      2.288 ppm2      7.860 CV     1
 OR { 1551}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1556}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.000     0.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.63423E-02 ppm1      3.741 ppm2      7.863 CV     1
 OR { 1556}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1557}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     0.000     0.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.47102E-02 ppm1      4.285 ppm2      7.860 CV     1
 OR { 1557}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1575}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 41   and name HN  ))
      4.200     4.200     1.800 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.94258E-03 ppm1      1.789 ppm2      7.854 CV     1
 OR { 1575}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 1575}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1600}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 41   and name HN  ))
      4.600     4.600     1.400 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.61272E-03 ppm1      1.504 ppm2      7.851 CV     1
 OR { 1600}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 40   and name HN  ))
 OR { 1600}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1615}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.100     3.100     2.900 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.22748E-02 ppm1      0.750 ppm2      2.956 CV     1
 OR { 1615}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 1626}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      4.700     4.700     1.300 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.35345E-03 ppm1      0.757 ppm2      4.228 CV     1
 OR { 1626}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1629}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 69   and name HD% )
      3.900     3.900     2.100 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.89895E-03 ppm1      0.750 ppm2      7.043 CV     1
 OR { 1629}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 37   and name HE% )
 ASSI { 1652}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.600     3.600     2.400 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      3.135 ppm2      7.856 CV     1
 OR { 1652}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1664}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
      4.800     4.800     1.200 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.49236E-03 ppm1      4.030 ppm2      2.621 CV     1
 OR { 1664}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 48   and name HB2 ))
 OR { 1664}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1671}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     0.000     0.000 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.33557E-02 ppm1      1.816 ppm2      4.235 CV     1
 OR { 1671}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1682}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      2.700     2.700     3.300 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.47303E-02 ppm1      0.921 ppm2      4.236 CV     1
 OR { 1682}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 OR { 1682}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1695}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 82   and name HG2 ))
      3.400     3.400     2.600 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.18905E-02 ppm1      1.127 ppm2      2.496 CV     1
 OR { 1695}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 16   and name HB  ))
 ASSI { 1700}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 37   and name HE% )
      3.000     3.000     3.000 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.16000E-02 ppm1      1.126 ppm2      7.039 CV     1
 OR { 1700}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 66   and name HD% )
 ASSI { 1702}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
      3.800     0.000     0.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.15422E-02 ppm1      1.127 ppm2      8.327 CV     1
 OR { 1702}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1711}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      4.600     4.600     1.400 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.68860E-03 ppm1      1.614 ppm2      8.591 CV     1
 OR { 1711}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1712}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      3.700     0.000     0.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.21228E-02 ppm1      1.612 ppm2      4.237 CV     1
 OR { 1712}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1716}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 28   and name HD1%)
      3.100     3.100     2.900 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.18325E-02 ppm1      1.609 ppm2      0.905 CV     1
 OR { 1716}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 45   and name HD2%)
 OR { 1716}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1730}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.100     3.100     2.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.22242E-02 ppm1      4.207 ppm2      2.729 CV     1
 OR { 1730}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 1731}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.100     3.100     2.900 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.20188E-02 ppm1      4.210 ppm2      2.596 CV     1
 OR { 1731}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 1733}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.100     0.000     0.000 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.22073E-02 ppm1      4.206 ppm2      7.974 CV     1
 OR { 1733}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 OR { 1733}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1737}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 44   and name H31%)
      3.500     3.500     2.500 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.15519E-02 ppm1      2.739 ppm2      0.924 CV     1
 OR { 1737}
   (( segid "    " and resid 40   and name HG1 ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI { 1738}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 44   and name H30%)
      3.800     3.800     2.200 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.70899E-03 ppm1      2.743 ppm2      0.814 CV     1
 OR { 1738}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 49   and name HG1%)
 ASSI { 1740}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 44   and name H30%)
      3.700     3.700     2.300 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.74162E-03 ppm1      2.604 ppm2      0.822 CV     1
 OR { 1740}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 49   and name HG1%)
 ASSI { 1745}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
      2.400     2.400     3.600 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.11714E-01 ppm1      2.601 ppm2      2.321 CV     1
 OR { 1745}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1748}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      1.700     1.700     4.300 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.31070E-01 ppm1      2.737 ppm2      2.603 CV     1
 OR { 1748}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI { 1751}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 44   and name HB2 ))
      4.300     4.300     1.700 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.36955E-03 ppm1      2.606 ppm2      4.036 CV     1
 OR { 1751}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 44   and name HB1 ))
 OR { 1751}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 1751}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1771}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.900     0.000     0.000 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.45448E-02 ppm1      1.029 ppm2      4.225 CV     1
 OR { 1771}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1774}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 50   and name HG11))
      4.000     4.000     2.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.87221E-03 ppm1      1.029 ppm2      1.699 CV     1
 OR { 1774}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1775}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 45   and name HG  ))
      3.100     3.100     2.900 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.28107E-02 ppm1      1.030 ppm2      1.618 CV     1
 OR { 1775}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 53   and name HG2 ))
 OR { 1775}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1777}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 48   and name HG1 ))
      3.000     3.000     3.000 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.13781E-02 ppm1      1.029 ppm2      2.347 CV     1
 OR { 1777}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 56   and name HG2 ))
 ASSI { 1783}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.100     3.100     2.900 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.25455E-02 ppm1      0.823 ppm2      1.643 CV     1
 OR { 1783}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1796}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.800     3.800     2.200 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.99729E-03 ppm1      0.818 ppm2      4.002 CV     1
 OR { 1796}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 51   and name HA1 ))
 ASSI { 1801}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 52   and name HN  ))
      4.000     4.000     2.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.77781E-03 ppm1      0.822 ppm2      8.164 CV     1
 OR { 1801}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1802}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 49   and name HN  ))
      3.800     3.800     2.200 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.22171E-02 ppm1      0.823 ppm2      7.973 CV     1
 OR { 1802}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1813}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      4.700     4.700     1.300 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.52793E-03 ppm1      2.959 ppm2      1.177 CV     1
 OR { 1813}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI { 1818}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.000     3.000     3.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.21872E-02 ppm1      2.962 ppm2      8.367 CV     1
 OR { 1818}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1829}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.700     4.700     1.300 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.42884E-03 ppm1      1.514 ppm2      3.629 CV     1
 OR { 1829}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1867}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      3.900     3.900     2.100 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.35472E-03 ppm1      0.001 ppm2      8.177 CV     1
 OR { 1867}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
 OR { 1867}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1868}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 16   and name HG2%)
      3.600     0.000     0.000 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.17477E-02 ppm1      0.010 ppm2      0.747 CV     1
 OR { 1868}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1870}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 50   and name HN  ))
      4.700     4.700     1.300 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.53768E-03 ppm1      4.005 ppm2      8.366 CV     1
 OR { 1870}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1885}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 54   and name HB2 ))
      4.200     4.200     1.800 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.63418E-03 ppm1      4.015 ppm2      3.110 CV     1
 OR { 1885}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 1897}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
      4.600     0.000     0.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.47580E-03 ppm1      4.139 ppm2      0.818 CV     1
 OR { 1897}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1899}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     2.800     3.200 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.45947E-02 ppm1      4.136 ppm2      2.074 CV     1
 OR { 1899}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR { 1899}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1899}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 1908}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.300     4.300     1.700 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.85123E-03 ppm1      4.147 ppm2      2.760 CV     1
 OR { 1908}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1913}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      4.200     4.200     1.800 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.66451E-03 ppm1      4.138 ppm2      7.239 CV     1
 OR { 1913}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 54   and name HE% )
 ASSI { 1952}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      5.100     5.100     0.900 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.11901E-03 ppm1      4.450 ppm2      1.889 CV     1
 OR { 1952}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
 OR { 1952}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 1953}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 60   and name HD2%)
      4.900     4.900     1.100 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.48498E-03 ppm1      4.452 ppm2      0.634 CV     1
 OR { 1953}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI { 1995}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      5.200     5.200     0.800 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.27726E-03 ppm1      1.988 ppm2      6.936 CV     1
 OR { 1995}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
 OR { 1995}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2024}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      5.100     5.100     0.900 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.19054E-03 ppm1      4.178 ppm2      7.244 CV     1
 OR { 2024}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HE  ))
 ASSI { 2057}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.000     0.000     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.37222E-02 ppm1      4.537 ppm2      1.468 CV     1
 OR { 2057}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 2067}
   (( segid "    " and resid 58   and name HB1 ))
   (  segid "    " and resid 58   and name HD2%)
      2.900     2.900     3.100 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.23412E-02 ppm1      2.504 ppm2      0.920 CV     1
 OR { 2067}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2071}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 58   and name HD2%)
      2.700     2.700     3.300 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.41566E-02 ppm1      1.469 ppm2      0.915 CV     1
 OR { 2071}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2077}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HB2 ))
      2.000     2.000     4.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.75917E-02 ppm1      2.500 ppm2      1.469 CV     1
 OR { 2077}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 2084}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      4.100     4.100     1.900 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.47073E-03 ppm1      1.474 ppm2      6.939 CV     1
 OR { 2084}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2085}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      4.300     4.300     1.700 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.76079E-03 ppm1      2.496 ppm2      6.940 CV     1
 OR { 2085}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
 OR { 2085}
   (( segid "    " and resid 58   and name HB1 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2086}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 58   and name HB1 ))
      2.800     2.800     3.200 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.29959E-02 ppm1      0.916 ppm2      2.495 CV     1
 OR { 2086}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 16   and name HB  ))
 ASSI { 2092}
   (  segid "    " and resid 58   and name HD2%)
   (  segid "    " and resid 60   and name HD2%)
      2.800     2.800     3.200 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.45571E-02 ppm1      0.913 ppm2      0.636 CV     1
 OR { 2092}
   (  segid "    " and resid 58   and name HD2%)
   (  segid "    " and resid 16   and name HG1%)
 ASSI { 2094}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 58   and name HB2 ))
      2.800     2.800     3.200 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.36608E-02 ppm1      0.919 ppm2      1.458 CV     1
 OR { 2094}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 60   and name HG  ))
 OR { 2094}
   (  segid "    " and resid 58   and name HD2%)
   (  segid "    " and resid 82   and name HE% )
 ASSI { 2107}
   (  segid "    " and resid 58   and name HD2%)
   (  segid "    " and resid 54   and name HE% )
      3.500     0.000     0.000 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.18508E-02 ppm1      0.918 ppm2      7.239 CV     1
 OR { 2107}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 2115}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      3.200     3.200     2.800 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.53752E-02 ppm1      0.826 ppm2      1.479 CV     1
 OR { 2115}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 2121}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 16   and name HN  ))
      3.900     3.900     2.100 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.59277E-03 ppm1      0.821 ppm2      8.177 CV     1
 OR { 2121}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2123}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 82   and name HG1 ))
      3.700     3.700     2.300 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.72712E-03 ppm1      0.641 ppm2      2.789 CV     1
 OR { 2123}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 79   and name HE2 ))
 OR { 2123}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 82   and name HG1 ))
 ASSI { 2143}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
      4.400     4.400     1.600 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.66069E-03 ppm1      4.261 ppm2      2.493 CV     1
 OR { 2143}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2160}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
      2.600     2.600     3.400 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.58396E-02 ppm1      1.355 ppm2      0.431 CV     1
 OR { 2160}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 62   and name HD1%)
 ASSI { 2177}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     3.300     2.700 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.10451E-02 ppm1      1.366 ppm2      8.583 CV     1
 OR { 2177}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2184}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 58   and name HB1 ))
      3.300     3.300     2.700 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.22796E-02 ppm1      0.452 ppm2      2.501 CV     1
 OR { 2184}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 16   and name HB  ))
 OR { 2184}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 2185}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      4.100     4.100     1.900 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.81167E-03 ppm1      0.444 ppm2      8.600 CV     1
 OR { 2185}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2187}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.500     3.500     2.500 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.11751E-02 ppm1      0.444 ppm2      7.229 CV     1
 OR { 2187}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 2191}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 55   and name HG2 ))
      3.400     3.400     2.600 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.17837E-02 ppm1      0.446 ppm2      1.646 CV     1
 OR { 2191}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 12   and name HD2 ))
 OR { 2191}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 2195}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB2 ))
      2.500     2.500     3.500 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.69922E-02 ppm1      0.447 ppm2      0.922 CV     1
 OR { 2195}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 58   and name HD2%)
 ASSI { 2198}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 12   and name HB1 ))
      3.400     0.000     0.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.10116E-02 ppm1      0.629 ppm2      1.882 CV     1
 OR { 2198}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 12   and name HB1 ))
 OR { 2198}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2198}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 18   and name HG1 ))
 OR { 2198}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 2200}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 31   and name HG  ))
      3.500     3.500     2.500 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.18430E-02 ppm1      0.633 ppm2      1.746 CV     1
 OR { 2200}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 83   and name HG  ))
 OR { 2200}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 76   and name HG1 ))
 OR { 2200}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 83   and name HG  ))
 ASSI { 2201}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 12   and name HD2 ))
      2.900     2.900     3.100 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.27242E-02 ppm1      0.629 ppm2      1.644 CV     1
 OR { 2201}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 79   and name HD1 ))
 OR { 2201}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 2209}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 54   and name HE% )
      4.000     4.000     2.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      0.643 ppm2      7.226 CV     1
 OR { 2209}
   (  segid "    " and resid 60   and name HD2%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 2210}
   (  segid "    " and resid 60   and name HD2%)
   (  segid "    " and resid 54   and name HD% )
      4.200     4.200     1.800 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.94575E-03 ppm1      0.640 ppm2      6.930 CV     1
 OR { 2210}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2212}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 63   and name HN  ))
      3.700     3.700     2.300 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.10666E-02 ppm1      0.501 ppm2      8.585 CV     1
 OR { 2212}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2226}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 54   and name HB2 ))
      3.500     3.500     2.500 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.11083E-02 ppm1      0.499 ppm2      3.107 CV     1
 OR { 2226}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 2234}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
      4.100     0.000     0.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.64962E-03 ppm1      0.926 ppm2      8.172 CV     1
 OR { 2234}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2239}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 53   and name HE  ))
      4.500     0.000     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.92484E-03 ppm1      0.930 ppm2      7.442 CV     1
 OR { 2239}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 18   and name HE  ))
 ASSI { 2262}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.700     3.700     2.300 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.14349E-02 ppm1      1.414 ppm2      7.824 CV     1
 OR { 2262}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2263}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     3.500     2.500 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.87881E-03 ppm1      1.397 ppm2      8.595 CV     1
 OR { 2263}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
 OR { 2263}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2266}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 12   and name HB1 ))
      3.700     3.700     2.300 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.68342E-03 ppm1      0.423 ppm2      1.905 CV     1
 OR { 2266}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 55   and name HG1 ))
 OR { 2266}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 2270}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 55   and name HD2 ))
      4.400     4.400     1.600 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.36778E-03 ppm1      0.419 ppm2      3.294 CV     1
 OR { 2270}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 55   and name HD1 ))
 OR { 2270}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 55   and name HD1 ))
 OR { 2270}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 55   and name HD2 ))
 ASSI { 2277}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 81   and name HD% )
      3.700     3.700     2.300 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.85732E-03 ppm1      0.432 ppm2      7.163 CV     1
 OR { 2277}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 81   and name HD% )
 ASSI { 2291}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 54   and name HB2 ))
      4.000     4.000     2.000 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.31456E-03 ppm1      0.626 ppm2      3.093 CV     1
 OR { 2291}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2377}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.300     0.000     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.63437E-03 ppm1      4.219 ppm2      3.405 CV     1
 OR { 2377}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2377}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HA2 ))
 ASSI { 2380}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.700     3.700     2.300 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.85408E-03 ppm1      4.229 ppm2      2.121 CV     1
 OR { 2380}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 2388}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     3.300     2.700 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.26735E-02 ppm1      3.417 ppm2      4.216 CV     1
 OR { 2388}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2389}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     3.300     2.700 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.30854E-02 ppm1      3.664 ppm2      4.215 CV     1
 OR { 2389}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2406}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.100     4.100     1.900 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.92025E-03 ppm1      1.362 ppm2      7.763 CV     1
 OR { 2406}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 2421}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 37   and name HE% )
      4.000     4.000     2.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.48585E-03 ppm1      1.373 ppm2      7.041 CV     1
 OR { 2421}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 69   and name HD% )
 ASSI { 2425}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 49   and name HG1%)
      4.000     4.000     2.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.48548E-03 ppm1      0.252 ppm2      0.840 CV     1
 OR { 2425}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
 OR { 2425}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 13   and name HD1%)
 OR { 2425}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 70   and name HG12))
 ASSI { 2430}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 20   and name HG1%)
      3.500     3.500     2.500 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.60031E-03 ppm1      0.251 ppm2      0.926 CV     1
 OR { 2430}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 19   and name HG1%)
 OR { 2430}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 75   and name HG2%)
 OR { 2430}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 58   and name HD2%)
 ASSI { 2439}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 37   and name HB1 ))
      3.600     3.600     2.400 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.97495E-03 ppm1      0.261 ppm2      2.973 CV     1
 OR { 2439}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
 OR { 2439}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 2441}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
      4.000     4.000     2.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.30929E-03 ppm1      0.261 ppm2      3.876 CV     1
 OR { 2441}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 46   and name HB1 ))
 OR { 2441}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
 OR { 2441}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2447}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 51   and name HA2 ))
      3.800     3.800     2.200 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.36041E-03 ppm1      0.254 ppm2      3.377 CV     1
 OR { 2447}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 81   and name HB1 ))
 OR { 2447}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 2449}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.800     3.800     2.200 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.84896E-03 ppm1      0.250 ppm2      4.347 CV     1
 OR { 2449}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 OR { 2449}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
 OR { 2449}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 74   and name HB  ))
 ASSI { 2450}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      4.100     4.100     1.900 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.32993E-03 ppm1      0.256 ppm2      4.228 CV     1
 OR { 2450}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
 OR { 2450}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2472}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     0.000     0.000 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.15807E-02 ppm1      4.375 ppm2      6.955 CV     1
 OR { 2472}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 2473}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      3.900     3.900     2.100 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.55772E-03 ppm1      4.378 ppm2      7.324 CV     1
 OR { 2473}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
 ASSI { 2478}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.800     3.800     2.200 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.77542E-03 ppm1      4.384 ppm2      1.373 CV     1
 OR { 2478}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 2479}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HG11))
      3.200     3.200     2.800 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.20509E-02 ppm1      4.377 ppm2      1.188 CV     1
 OR { 2479}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 2479}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 2479}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
 OR { 2479}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI { 2481}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 68   and name HD2%)
      4.500     4.500     1.500 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.47848E-03 ppm1      4.366 ppm2      0.508 CV     1
 OR { 2481}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HD2%)
 ASSI { 2483}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 68   and name HD1%)
      4.200     4.200     1.800 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.78862E-03 ppm1      4.378 ppm2      0.258 CV     1
 OR { 2483}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HD1%)
 ASSI { 2484}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      4.300     4.300     1.700 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.33727E-03 ppm1      4.364 ppm2      0.742 CV     1
 OR { 2484}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 16   and name HG2%)
 ASSI { 2492}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 68   and name HD2%)
      4.400     4.400     1.600 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.33017E-03 ppm1      7.047 ppm2      0.517 CV     1
 OR { 2492}
   (  segid "    " and resid 69   and name HD% )
   (  segid "    " and resid 68   and name HD2%)
 ASSI { 2494}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 69   and name HN  ))
      3.400     3.400     2.600 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.54476E-03 ppm1      7.136 ppm2      7.760 CV     1
 OR { 2494}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 2495}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 42   and name HN  ))
      3.700     3.700     2.300 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.32467E-03 ppm1      7.144 ppm2      7.731 CV     1
 OR { 2495}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 2497}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 48   and name HN  ))
      3.800     3.800     2.200 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.34807E-03 ppm1      7.044 ppm2      7.537 CV     1
 OR { 2497}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2505}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 42   and name HB  ))
      3.900     3.900     2.100 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.22739E-03 ppm1      7.115 ppm2      1.795 CV     1
 OR { 2505}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 2507}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 70   and name HG11))
      3.500     3.500     2.500 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.44973E-03 ppm1      7.129 ppm2      1.192 CV     1
 OR { 2507}
   (  segid "    " and resid 69   and name HE% )
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2542}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     3.800     2.200 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.73100E-03 ppm1      1.180 ppm2      3.411 CV     1
 OR { 2542}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI { 2544}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 69   and name HA  ))
      4.200     4.200     1.800 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.53549E-03 ppm1      1.185 ppm2      4.363 CV     1
 OR { 2544}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2563}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      3.500     3.500     2.500 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.12791E-02 ppm1      1.191 ppm2      8.197 CV     1
 OR { 2563}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 OR { 2563}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 2564}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 37   and name HD% )
      4.200     4.200     1.800 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.72537E-03 ppm1      1.190 ppm2      7.318 CV     1
 OR { 2564}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 37   and name HD% )
 ASSI { 2566}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.400     3.400     2.600 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.27100E-02 ppm1      1.191 ppm2      4.439 CV     1
 OR { 2566}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
 OR { 2566}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2567}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      4.300     4.300     1.700 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.67423E-03 ppm1      1.190 ppm2      2.968 CV     1
 OR { 2567}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 2568}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HB2 ))
      3.700     3.700     2.300 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.10469E-02 ppm1      1.197 ppm2      2.880 CV     1
 OR { 2568}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HB1 ))
 OR { 2568}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 72   and name HB1 ))
 OR { 2568}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 2569}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 78   and name HB1 ))
      3.800     3.800     2.200 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.77606E-03 ppm1      1.192 ppm2      2.566 CV     1
 OR { 2569}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 2570}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 19   and name HB  ))
      3.200     3.200     2.800 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.17717E-02 ppm1      1.181 ppm2      2.645 CV     1
 OR { 2570}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2572}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.900     3.900     2.100 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.51789E-03 ppm1      1.193 ppm2      3.579 CV     1
 OR { 2572}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2573}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 13   and name HD2%)
      3.700     0.000     0.000 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.96900E-03 ppm1      4.351 ppm2      0.901 CV     1
 OR { 2573}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 2573}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 58   and name HD2%)
 ASSI { 2576}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
      4.000     0.000     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.62631E-03 ppm1      4.362 ppm2      3.894 CV     1
 OR { 2576}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
 OR { 2576}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 84   and name HA2 ))
 ASSI { 2578}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
      2.900     2.900     3.100 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.18993E-02 ppm1      1.094 ppm2      2.846 CV     1
 OR { 2578}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 2579}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 36   and name HB2 ))
      2.800     2.800     3.200 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.29614E-02 ppm1      1.094 ppm2      2.561 CV     1
 OR { 2579}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 2584}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 74   and name HB  ))
      2.200     0.000     0.000 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.10256E-01 ppm1      1.094 ppm2      4.364 CV     1
 OR { 2584}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 2592}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      4.200     4.200     1.800 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.72822E-03 ppm1      1.092 ppm2      8.722 CV     1
 OR { 2592}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 2594}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG1%)
      2.400     2.400     3.600 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.57822E-02 ppm1      2.465 ppm2      0.742 CV     1
 OR { 2594}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 16   and name HG2%)
 ASSI { 2605}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      3.700     0.000     0.000 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.11619E-02 ppm1      0.927 ppm2      8.713 CV     1
 OR { 2605}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
 OR { 2605}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 2605}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2608}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      5.100     5.100     0.900 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.31172E-03 ppm1      0.923 ppm2      7.819 CV     1
 OR { 2608}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2613}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 17   and name HA  ))
      3.400     0.000     0.000 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.22852E-02 ppm1      0.928 ppm2      4.423 CV     1
 OR { 2613}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2616}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      3.700     3.700     2.300 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.19615E-02 ppm1      0.929 ppm2      3.827 CV     1
 OR { 2616}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 2617}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      2.800     2.800     3.200 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.45546E-02 ppm1      0.928 ppm2      3.559 CV     1
 OR { 2617}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2618}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 72   and name HB2 ))
      4.000     4.000     2.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.15616E-02 ppm1      0.924 ppm2      2.869 CV     1
 OR { 2618}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 72   and name HB2 ))
 OR { 2618}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 72   and name HB1 ))
 OR { 2618}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 2619}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 79   and name HE2 ))
      3.100     3.100     2.900 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.37624E-02 ppm1      0.928 ppm2      2.785 CV     1
 OR { 2619}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HE2 ))
 ASSI { 2620}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 33   and name HB1 ))
      3.900     3.900     2.100 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.17432E-02 ppm1      0.928 ppm2      2.582 CV     1
 OR { 2620}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 33   and name HB2 ))
 OR { 2620}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 2622}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HG1 ))
      3.200     3.200     2.800 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.34726E-02 ppm1      0.924 ppm2      1.824 CV     1
 OR { 2622}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 79   and name HG1 ))
 ASSI { 2623}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 31   and name HG  ))
      3.700     3.700     2.300 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.12778E-02 ppm1      0.928 ppm2      1.727 CV     1
 OR { 2623}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 31   and name HG  ))
 OR { 2623}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 26   and name HB  ))
 OR { 2623}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 78   and name HB2 ))
 OR { 2623}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 77   and name HB% )
 ASSI { 2624}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 23   and name HB2 ))
      3.200     3.200     2.800 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      0.928 ppm2      1.636 CV     1
 OR { 2624}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 79   and name HD1 ))
 OR { 2624}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HD2 ))
 OR { 2624}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 79   and name HD2 ))
 OR { 2624}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HD1 ))
 ASSI { 2625}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 23   and name HB1 ))
      2.900     2.900     3.100 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.70944E-02 ppm1      0.928 ppm2      2.036 CV     1
 OR { 2625}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
 OR { 2625}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 18   and name HB1 ))
 OR { 2625}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 2643}
   (( segid "    " and resid 13   and name HG  ))
   (  segid "    " and resid 13   and name HD2%)
      2.400     2.400     3.600 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.81206E-02 ppm1      1.737 ppm2      0.901 CV     1
 OR { 2643}
   (( segid "    " and resid 58   and name HG  ))
   (  segid "    " and resid 58   and name HD2%)
 ASSI { 2652}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HE  ))
      3.200     3.200     2.800 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.15681E-02 ppm1      1.745 ppm2      7.357 CV     1
 OR { 2652}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 2671}
   (( segid "    " and resid 76   and name HG2 ))
   (  segid "    " and resid 13   and name HD1%)
      4.600     4.600     1.400 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.48010E-03 ppm1      1.500 ppm2      0.834 CV     1
 OR { 2671}
   (( segid "    " and resid 76   and name HG2 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI { 2673}
   (( segid "    " and resid 76   and name HG2 ))
   (  segid "    " and resid 75   and name HG2%)
      5.800     5.800     0.200 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.48961E-04 ppm1      1.486 ppm2      0.911 CV     1
 OR { 2673}
   (( segid "    " and resid 76   and name HG2 ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI { 2684}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.300     3.300     2.700 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.17535E-02 ppm1      4.334 ppm2      8.712 CV     1
 OR { 2684}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2713}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      3.100     3.100     2.900 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.91468E-03 ppm1      1.719 ppm2      0.756 CV     1
 OR { 2713}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
 OR { 2713}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 2714}
   (( segid "    " and resid 26   and name HG12))
   (( segid "    " and resid 24   and name HB2 ))
      4.900     4.900     1.100 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.43338E-03 ppm1      1.098 ppm2      3.761 CV     1
 OR { 2714}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 2717}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 82   and name HG1 ))
      4.200     4.200     1.800 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.54997E-03 ppm1      1.091 ppm2      2.764 CV     1
 OR { 2717}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HE2 ))
 OR { 2717}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 2721}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 50   and name HD1%)
      3.400     3.400     2.600 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.63446E-03 ppm1      1.095 ppm2      0.618 CV     1
 OR { 2721}
   (( segid "    " and resid 26   and name HG12))
   (  segid "    " and resid 50   and name HD1%)
 ASSI { 2724}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      4.000     4.000     2.000 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.37064E-03 ppm1      1.118 ppm2      4.360 CV     1
 OR { 2724}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 OR { 2724}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 62   and name HA  ))
 OR { 2724}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 74   and name HB  ))
 OR { 2724}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR { 2724}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 2729}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
      4.400     4.400     1.600 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.50095E-03 ppm1      1.127 ppm2      2.274 CV     1
 OR { 2729}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2730}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 60   and name HD1%)
      3.900     0.000     0.000 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.79070E-03 ppm1      1.123 ppm2      0.433 CV     1
 OR { 2730}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 62   and name HD1%)
 ASSI { 2737}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.100     3.100     2.900 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.37818E-02 ppm1      2.065 ppm2      0.920 CV     1
 OR { 2737}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 58   and name HD2%)
 OR { 2737}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI { 2746}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     3.400     2.600 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.27488E-02 ppm1      2.019 ppm2      8.707 CV     1
 OR { 2746}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 2747}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     2.800     3.200 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.23641E-02 ppm1      1.807 ppm2      8.701 CV     1
 OR { 2747}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2754}
   (( segid "    " and resid 79   and name HD1 ))
   (  segid "    " and resid 16   and name HG2%)
      5.100     5.100     0.900 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.15205E-03 ppm1      1.638 ppm2      0.744 CV     1
 OR { 2754}
   (( segid "    " and resid 79   and name HD1 ))
   (  segid "    " and resid 75   and name HG1%)
 OR { 2754}
   (( segid "    " and resid 79   and name HD2 ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI { 2779}
   (( segid "    " and resid 79   and name HE1 ))
   (  segid "    " and resid 20   and name HG1%)
      2.600     2.600     3.400 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.28691E-02 ppm1      2.847 ppm2      0.920 CV     1
 OR { 2779}
   (( segid "    " and resid 79   and name HE1 ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 2779}
   (( segid "    " and resid 79   and name HE1 ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI { 2780}
   (( segid "    " and resid 79   and name HE2 ))
   (  segid "    " and resid 20   and name HG1%)
      2.600     2.600     3.400 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.28570E-02 ppm1      2.782 ppm2      0.919 CV     1
 OR { 2780}
   (( segid "    " and resid 79   and name HE2 ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 2780}
   (( segid "    " and resid 79   and name HE2 ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI { 2796}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      4.500     4.500     1.500 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.51609E-03 ppm1      4.328 ppm2      1.632 CV     1
 OR { 2796}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 OR { 2796}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 2796}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 2823}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
      3.100     3.100     2.900 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.18663E-02 ppm1      1.691 ppm2      0.863 CV     1
 OR { 2823}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI { 2849}
   (( segid "    " and resid 82   and name HG1 ))
   (  segid "    " and resid 13   and name HD1%)
      3.700     3.700     2.300 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.10155E-02 ppm1      2.790 ppm2      0.857 CV     1
 OR { 2849}
   (( segid "    " and resid 82   and name HG1 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 2850}
   (( segid "    " and resid 82   and name HG1 ))
   (  segid "    " and resid 16   and name HG2%)
      4.000     0.000     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.11012E-02 ppm1      2.786 ppm2      0.740 CV     1
 OR { 2850}
   (( segid "    " and resid 82   and name HG1 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 2858}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 8    and name HG2%)
      3.700     3.700     2.300 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.18192E-02 ppm1      2.495 ppm2      0.862 CV     1
 OR { 2858}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI { 2859}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 8    and name HG1%)
      3.500     0.000     0.000 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.22664E-02 ppm1      2.493 ppm2      0.735 CV     1
 OR { 2859}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 16   and name HG2%)
 ASSI { 2953}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 16   and name HG1%)
      4.600     4.600     1.400 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.69935E-03 ppm1      7.235 ppm2      0.627 CV     1
 OR { 2953}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 50   and name HD1%)
 ASSI { 2954}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 68   and name HD2%)
      3.400     3.400     2.600 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.98939E-03 ppm1      7.230 ppm2      0.503 CV     1
 OR { 2954}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 62   and name HD2%)
 ASSI { 2956}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 82   and name HE% )
      3.800     3.800     2.200 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.10010E-02 ppm1      7.231 ppm2      1.455 CV     1
 OR { 2956}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 58   and name HB2 ))
 ASSI { 2957}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 19   and name HG1%)
      3.000     3.000     3.000 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.23857E-02 ppm1      7.229 ppm2      0.921 CV     1
 OR { 2957}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 58   and name HD2%)
 ASSI { 2962}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 17   and name HN  ))
      3.600     3.600     2.400 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.45458E-03 ppm1      7.230 ppm2      8.201 CV     1
 OR { 2962}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 2968}
   (  segid "    " and resid 66   and name HD% )
   (  segid "    " and resid 62   and name HD2%)
      3.700     3.700     2.300 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.93947E-03 ppm1      7.020 ppm2      0.508 CV     1
 OR { 2968}
   (  segid "    " and resid 66   and name HD% )
   (  segid "    " and resid 68   and name HD2%)
 ASSI { 2989}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
      2.500     2.500     3.500 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.46268E-02 ppm1      1.446 ppm2      0.863 CV     1
 OR { 2989}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 2990}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 8    and name HG1%)
      4.200     4.200     1.800 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.88095E-03 ppm1      1.451 ppm2      0.746 CV     1
 OR { 2990}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 16   and name HG2%)
 ASSI { 3000}
   (( segid "    " and resid 83   and name HG  ))
   (  segid "    " and resid 83   and name HD1%)
      2.500     2.500     3.500 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.55469E-02 ppm1      1.748 ppm2      0.825 CV     1
 OR { 3000}
   (( segid "    " and resid 58   and name HG  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 3056}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 24   and name HB2 ))
      3.300     3.300     2.700 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.19399E-02 ppm1      0.773 ppm2      3.764 CV     1
 OR { 3056}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 3101}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 42   and name HG2%)
      2.600     2.600     3.400 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.58072E-02 ppm1      0.610 ppm2      0.749 CV     1
 OR { 3101}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 16   and name HG2%)
 ASSI { 3102}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 20   and name HG1%)
      3.200     0.000     0.000 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.35486E-02 ppm1      0.608 ppm2      0.925 CV     1
 OR { 3102}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 19   and name HG1%)
 ASSI { 3106}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      3.500     3.500     2.500 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.61360E-03 ppm1      0.610 ppm2      4.369 CV     1
 OR { 3106}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 3114}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 62   and name HD1%)
      2.900     2.900     3.100 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.36173E-02 ppm1      1.421 ppm2      0.431 CV     1
 OR { 3114}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 3124}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 78   and name HB2 ))
      4.000     4.000     2.000 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.71132E-03 ppm1      0.520 ppm2      1.723 CV     1
 OR { 3124}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 77   and name HB% )
 ASSI { 3133}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 66   and name HD% )
      3.600     3.600     2.400 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.13416E-02 ppm1      0.519 ppm2      7.037 CV     1
 OR { 3133}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 37   and name HE% )
 ASSI { 3153}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 16   and name HG2%)
      2.100     0.000     0.100 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.16096E-01 ppm1      0.641 ppm2      0.742 CV     1
 OR { 3153}
   (  segid "    " and resid 60   and name HD2%)
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 3154}
   (  segid "    " and resid 60   and name HD2%)
   (  segid "    " and resid 58   and name HD2%)
      2.400     2.400     3.600 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.12814E-01 ppm1      0.632 ppm2      0.898 CV     1
 OR { 3154}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 58   and name HD2%)
 OR { 3154}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 13   and name HD2%)
 ASSI { 3161}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      3.800     3.800     2.200 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.79859E-03 ppm1      0.713 ppm2      4.262 CV     1
 OR { 3161}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 3162}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.300     3.300     2.700 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.26006E-02 ppm1      0.713 ppm2      4.103 CV     1
 OR { 3162}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 3164}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      3.500     3.500     2.500 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.25362E-02 ppm1      0.715 ppm2      3.870 CV     1
 OR { 3164}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 7    and name HA2 ))
 OR { 3164}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 7    and name HA1 ))
 ASSI { 3166}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 82   and name HG1 ))
      3.500     3.500     2.500 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.13935E-02 ppm1      0.730 ppm2      2.795 CV     1
 OR { 3166}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 79   and name HE2 ))
 ASSI { 3167}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 19   and name HB  ))
      3.200     3.200     2.800 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.19596E-02 ppm1      0.739 ppm2      2.644 CV     1
 OR { 3167}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 3170}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
      4.000     4.000     2.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      0.743 ppm2      2.257 CV     1
 OR { 3170}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 82   and name HB1 ))
 OR { 3170}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 3178}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 78   and name HB2 ))
      3.800     3.800     2.200 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.15767E-02 ppm1      0.724 ppm2      1.711 CV     1
 OR { 3178}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 13   and name HG  ))
 OR { 3178}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 58   and name HG  ))
 ASSI { 3179}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 15   and name HB% )
      3.700     3.700     2.300 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.18087E-02 ppm1      0.738 ppm2      1.610 CV     1
 OR { 3179}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 3197}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB  ))
      2.400     0.000     0.000 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.55669E-02 ppm1      5.039 ppm2      4.363 CV     1
 OR { 3197}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 3229}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      4.000     4.000     2.000 peak  3229 spectrum    1 weight  0.10000E+01 volume  0.15937E-02 ppm1      2.074 ppm2      4.135 CV     1
 OR { 3229}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 63   and name HA2 ))
 OR { 3229}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 63   and name HA2 ))
 ASSI { 3230}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HE  ))
      4.300     4.300     1.700 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.10526E-02 ppm1      2.069 ppm2      7.438 CV     1
 OR { 3230}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 3243}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HG2 ))
      2.500     2.500     3.500 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.61117E-02 ppm1      1.901 ppm2      1.487 CV     1
 OR { 3243}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG1 ))
 OR { 3243}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR { 3243}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR { 3243}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 3248}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 79   and name HN  ))
      4.500     4.500     1.500 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.42830E-03 ppm1      1.584 ppm2      8.692 CV     1
 OR { 3248}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 3253}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 13   and name HN  ))
      3.900     3.900     2.100 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.15422E-02 ppm1      1.730 ppm2      8.179 CV     1
 OR { 3253}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 3270}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 16   and name HG2%)
      4.500     4.500     1.500 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.54033E-03 ppm1      2.910 ppm2      0.732 CV     1
 OR { 3270}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI { 3271}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      4.300     4.300     1.700 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.39787E-03 ppm1      0.517 ppm2      4.332 CV     1
 OR { 3271}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 37   and name HA  ))
 OR { 3271}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 OR { 3271}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 3283}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 40   and name HG2 ))
      3.900     3.900     2.100 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.34949E-03 ppm1      0.772 ppm2      2.605 CV     1
 OR { 3283}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 3289}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 16   and name HB  ))
      2.500     2.500     3.500 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.40700E-02 ppm1      1.455 ppm2      2.495 CV     1
 OR { 3289}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 3293}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 81   and name HB1 ))
      3.300     3.300     2.700 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.67681E-03 ppm1      1.456 ppm2      3.393 CV     1
 OR { 3293}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 51   and name HA2 ))
 OR { 3293}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 3307}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 16   and name HG1%)
      2.600     2.600     3.400 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.58379E-02 ppm1      1.455 ppm2      0.635 CV     1
 OR { 3307}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 3308}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 8    and name HG2%)
      3.000     0.000     0.000 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.23463E-02 ppm1      1.456 ppm2      0.858 CV     1
 OR { 3308}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 13   and name HD1%)
 ASSI { 3340}
   (( segid "    " and resid 48   and name HG1 ))
   (  segid "    " and resid 49   and name HG2%)
      4.300     4.300     1.700 peak  3340 spectrum    1 weight  0.10000E+01 volume  0.65875E-03 ppm1      2.363 ppm2      1.027 CV     1
 OR { 3340}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 3343}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      4.200     0.000     0.000 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.86152E-03 ppm1      1.202 ppm2      4.129 CV     1
 OR { 3343}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 3345}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HE  ))
      3.400     3.400     2.600 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.14000E-02 ppm1      1.199 ppm2      7.435 CV     1
 OR { 3345}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 53   and name HE  ))
 ASSI { 3348}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      3.900     3.900     2.100 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.15424E-02 ppm1      1.203 ppm2      8.176 CV     1
 OR { 3348}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
 OR { 3348}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
 OR { 3348}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 OR { 3348}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 3378}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 26   and name HG2%)
      3.000     3.000     3.000 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.10908E-02 ppm1      0.744 ppm2      0.941 CV     1
 OR { 3378}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 3379}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 75   and name HG1%)
      2.100     2.100     3.900 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.19703E-01 ppm1      0.928 ppm2      0.749 CV     1
 OR { 3379}
   (  segid "    " and resid 20   and name HG1%)
   (  segid "    " and resid 75   and name HG1%)
 ASSI { 3382}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 31   and name HG  ))
      3.200     3.200     2.800 peak  3382 spectrum    1 weight  0.10000E+01 volume  0.14758E-02 ppm1      0.746 ppm2      1.724 CV     1
 OR { 3382}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 3386}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      3.500     3.500     2.500 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.14543E-02 ppm1      0.741 ppm2      4.425 CV     1
 OR { 3386}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 3393}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 34   and name HN  ))
      3.100     3.100     2.900 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.99891E-03 ppm1      0.744 ppm2      7.933 CV     1
 OR { 3393}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 3396}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 33   and name HN  ))
      4.200     4.200     1.800 peak  3396 spectrum    1 weight  0.10000E+01 volume  0.63072E-03 ppm1      0.740 ppm2      8.718 CV     1
 OR { 3396}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
 OR { 3396}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 3408}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HB2 ))
      1.900     1.900     4.100 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.10695E-01 ppm1      1.896 ppm2      1.775 CV     1
 OR { 3408}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HD1 ))
 ASSI { 3409}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 33   and name HB1 ))
      3.800     3.800     2.200 peak  3409 spectrum    1 weight  0.10000E+01 volume  0.10203E-02 ppm1      3.083 ppm2      2.570 CV     1
 OR { 3409}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 3413}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 8    and name HG1%)
      3.200     0.000     0.000 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.25276E-02 ppm1      0.450 ppm2      0.729 CV     1
 OR { 3413}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 16   and name HG2%)
 ASSI { 3417}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 6    and name HB  ))
      3.500     3.500     2.500 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.95754E-03 ppm1      0.626 ppm2      2.082 CV     1
 OR { 3417}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 11   and name HB1 ))
 OR { 3417}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 11   and name HB1 ))
 OR { 3417}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 6    and name HB  ))
 OR { 3417}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI { 3424}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 79   and name HN  ))
      4.300     4.300     1.700 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.51488E-03 ppm1      1.127 ppm2      8.696 CV     1
 OR { 3424}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 3427}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 50   and name HD1%)
      2.500     2.500     3.500 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.49450E-02 ppm1      0.520 ppm2      0.625 CV     1
 OR { 3427}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 16   and name HG1%)
 ASSI { 3429}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 50   and name HG12))
      3.800     3.800     2.200 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.11358E-02 ppm1      1.196 ppm2      0.453 CV     1
 OR { 3429}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 50   and name HG12))
 OR { 3429}
   (  segid "    " and resid 19   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 3490}
   (( segid "    " and resid 12   and name HE1 ))
   (  segid "    " and resid 6    and name HG2%)
      3.000     3.000     3.000 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.10771E-02 ppm1      2.982 ppm2      0.841 CV     1
 OR { 3490}
   (( segid "    " and resid 12   and name HE2 ))
   (  segid "    " and resid 6    and name HG2%)
 OR { 3490}
   (( segid "    " and resid 12   and name HE1 ))
   (  segid "    " and resid 13   and name HD1%)
 OR { 3490}
   (( segid "    " and resid 12   and name HE2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR { 3490}
   (( segid "    " and resid 12   and name HE1 ))
   (  segid "    " and resid 83   and name HD2%)
 OR { 3490}
   (( segid "    " and resid 12   and name HE2 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI { 3496}
   (( segid "    " and resid 4    and name HE2 ))
   (( segid "    " and resid 4    and name HD2 ))
      2.700     2.700     3.300 peak  3496 spectrum    1 weight  0.10000E+01 volume  0.39040E-02 ppm1      2.981 ppm2      1.651 CV     1
 OR { 3496}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR { 3496}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR { 3496}
   (( segid "    " and resid 4    and name HE2 ))
   (( segid "    " and resid 4    and name HD1 ))
 OR { 3496}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR { 3496}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HD1 ))
 ASSI { 3502}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.600     3.600     2.400 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.18850E-02 ppm1      4.098 ppm2      0.859 CV     1
 OR { 3502}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
 OR { 3502}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
 ASSI { 3515}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 78   and name HB2 ))
      2.700     2.700     3.300 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.22798E-02 ppm1      1.453 ppm2      1.725 CV     1
 OR { 3515}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 13   and name HG  ))
 OR { 3515}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 58   and name HG  ))
 ASSI { 3516}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 12   and name HD2 ))
      2.500     2.500     3.500 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.33803E-02 ppm1      1.454 ppm2      1.653 CV     1
 OR { 3516}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 79   and name HD1 ))
 OR { 3516}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 3519}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      4.100     4.100     1.900 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.18354E-03 ppm1      1.459 ppm2      4.339 CV     1
 OR { 3519}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 10   and name HA  ))
 OR { 3519}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 77   and name HA  ))
 OR { 3519}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 3551}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HB% )
      2.200     2.200     3.800 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.12100E-01 ppm1      4.124 ppm2      1.616 CV     1
 OR { 3551}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 3560}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 80   and name HA  ))
      4.100     4.100     1.900 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.75936E-03 ppm1      1.737 ppm2      4.357 CV     1
 OR { 3560}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 3560}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 3562}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 13   and name HD2%)
      3.500     3.500     2.500 peak  3562 spectrum    1 weight  0.10000E+01 volume  0.13484E-02 ppm1      1.817 ppm2      0.903 CV     1
 OR { 3562}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 3563}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 13   and name HD1%)
      3.800     3.800     2.200 peak  3563 spectrum    1 weight  0.10000E+01 volume  0.16356E-02 ppm1      1.825 ppm2      0.856 CV     1
 OR { 3563}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 3565}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 13   and name HD1%)
      2.900     2.900     3.100 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.67863E-02 ppm1      1.189 ppm2      0.855 CV     1
 OR { 3565}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 3572}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.600     3.600     2.400 peak  3572 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      1.819 ppm2      8.705 CV     1
 OR { 3572}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 3573}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 13   and name HD2%)
      3.200     3.200     2.800 peak  3573 spectrum    1 weight  0.10000E+01 volume  0.22570E-02 ppm1      1.191 ppm2      0.901 CV     1
 OR { 3573}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 3573}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 20   and name HG1%)
 OR { 3573}
   (( segid "    " and resid 68   and name HG  ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI { 3601}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      4.600     4.600     1.400 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.62556E-03 ppm1      2.777 ppm2      8.174 CV     1
 OR { 3601}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 3602}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.300     4.300     1.700 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.92348E-03 ppm1      2.676 ppm2      8.169 CV     1
 OR { 3602}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 3603}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 76   and name HG1 ))
      3.700     3.700     2.300 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.10952E-02 ppm1      2.784 ppm2      1.730 CV     1
 OR { 3603}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HG  ))
 OR { 3603}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 13   and name HG  ))
 ASSI { 3604}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 15   and name HB% )
      4.500     0.000     0.000 peak  3604 spectrum    1 weight  0.10000E+01 volume  0.69462E-03 ppm1      2.673 ppm2      1.612 CV     1
 OR { 3604}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 3621}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      4.500     4.500     1.500 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.60793E-03 ppm1      0.735 ppm2      8.332 CV     1
 OR { 3621}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
 OR { 3621}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 3624}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      4.000     4.000     2.000 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.68750E-03 ppm1      0.715 ppm2      7.952 CV     1
 OR { 3624}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 3625}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      4.100     4.100     1.900 peak  3625 spectrum    1 weight  0.10000E+01 volume  0.69533E-03 ppm1      0.642 ppm2      4.102 CV     1
 OR { 3625}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 3626}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 17   and name HB1 ))
      4.900     4.900     1.100 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.56123E-03 ppm1      0.657 ppm2      2.275 CV     1
 OR { 3626}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 3628}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
      3.500     3.500     2.500 peak  3628 spectrum    1 weight  0.10000E+01 volume  0.20066E-02 ppm1      0.737 ppm2      0.453 CV     1
 OR { 3628}
   (  segid "    " and resid 6    and name HG1%)
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 3643}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.000     2.000     4.000 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.10722E-01 ppm1      2.197 ppm2      2.029 CV     1
 OR { 3643}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 3646}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 18   and name HD1 ))
      4.500     4.500     1.500 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.29432E-03 ppm1      2.318 ppm2      3.265 CV     1
 OR { 3646}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 53   and name HD1 ))
 OR { 3646}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR { 3646}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 18   and name HD1 ))
 ASSI { 3665}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
      4.900     4.900     1.100 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.23059E-03 ppm1      2.570 ppm2      8.364 CV     1
 OR { 3665}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 3676}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HG11))
      3.300     3.300     2.700 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.44499E-02 ppm1      0.953 ppm2      1.440 CV     1
 OR { 3676}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 27   and name HB% )
 ASSI { 3683}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 24   and name HB1 ))
      4.600     4.600     1.400 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.72084E-03 ppm1      0.955 ppm2      3.978 CV     1
 OR { 3683}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 21   and name HB2 ))
 ASSI { 3687}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      3.700     3.700     2.300 peak  3687 spectrum    1 weight  0.10000E+01 volume  0.21635E-02 ppm1      0.954 ppm2      7.847 CV     1
 OR { 3687}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 3722}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      2.900     2.900     3.100 peak  3722 spectrum    1 weight  0.10000E+01 volume  0.35459E-02 ppm1      0.908 ppm2      3.871 CV     1
 OR { 3722}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HA  ))
 OR { 3722}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 3731}
   (( segid "    " and resid 40   and name HG1 ))
   (  segid "    " and resid 42   and name HD1%)
      4.200     4.200     1.800 peak  3731 spectrum    1 weight  0.10000E+01 volume  0.58410E-03 ppm1      2.705 ppm2      0.773 CV     1
 OR { 3731}
   (( segid "    " and resid 40   and name HG1 ))
   (  segid "    " and resid 42   and name HG2%)
 OR { 3731}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 3741}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.500     2.500     3.500 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.56745E-02 ppm1      3.315 ppm2      1.889 CV     1
 OR { 3741}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 3741}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
 OR { 3741}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI { 3768}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      1.700     0.000     0.500 peak  3768 spectrum    1 weight  0.10000E+01 volume  0.27084E-01 ppm1      2.065 ppm2      1.989 CV     1
 OR { 3768}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 3779}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      4.000     4.000     2.000 peak  3779 spectrum    1 weight  0.10000E+01 volume  0.11208E-02 ppm1      0.866 ppm2      4.104 CV     1
 OR { 3779}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 3786}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 8    and name HG1%)
      2.200     2.200     3.800 peak  3786 spectrum    1 weight  0.10000E+01 volume  0.15490E-01 ppm1      0.867 ppm2      0.726 CV     1
 OR { 3786}
   (  segid "    " and resid 6    and name HG2%)
   (  segid "    " and resid 6    and name HG1%)
 ASSI { 3803}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 24   and name HB1 ))
      3.600     0.000     0.000 peak  3803 spectrum    1 weight  0.10000E+01 volume  0.97282E-03 ppm1      0.926 ppm2      3.970 CV     1
 OR { 3803}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 21   and name HB2 ))
 ASSI { 3804}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
      3.300     3.300     2.700 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.13380E-02 ppm1      0.928 ppm2      4.325 CV     1
 OR { 3804}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 3813}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 80   and name HN  ))
      5.100     5.100     0.900 peak  3813 spectrum    1 weight  0.10000E+01 volume  0.29180E-03 ppm1      3.327 ppm2      8.704 CV     1
 OR { 3813}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3830}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.100     4.100     1.900 peak  3830 spectrum    1 weight  0.10000E+01 volume  0.50143E-03 ppm1      1.755 ppm2      2.268 CV     1
 OR { 3830}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 82   and name HB1 ))
 OR { 3830}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 3864}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HB2 ))
      2.100     0.000     0.100 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.17342E-01 ppm1      2.241 ppm2      2.028 CV     1
 OR { 3864}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR { 3864}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 3864}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 3890}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 17   and name HB1 ))
      4.100     4.100     1.900 peak  3890 spectrum    1 weight  0.10000E+01 volume  0.53711E-03 ppm1      0.783 ppm2      2.246 CV     1
 OR { 3890}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 3912}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 82   and name HG2 ))
      4.400     4.400     1.600 peak  3912 spectrum    1 weight  0.10000E+01 volume  0.53550E-03 ppm1      0.867 ppm2      2.508 CV     1
 OR { 3912}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 16   and name HB  ))
 OR { 3912}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 3921}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 44   and name H30%)
      5.000     5.000     1.000 peak  3921 spectrum    1 weight  0.10000E+01 volume  0.23008E-03 ppm1      4.027 ppm2      0.819 CV     1
 OR { 3921}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 44   and name H30%)
 OR { 3921}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 70   and name HG12))
 OR { 3921}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 70   and name HG12))
 ASSI { 3925}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name H28A))
      3.800     3.800     2.200 peak  3925 spectrum    1 weight  0.10000E+01 volume  0.77056E-03 ppm1      4.243 ppm2      3.322 CV     1
 OR { 3925}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 76   and name HD1 ))


*noe unambig
 ASSI {    3}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.52648E-02 ppm1      8.430 ppm2      3.772 CV     1
 ASSI {    4}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.29083E-02 ppm1      8.430 ppm2      3.522 CV     1
 ASSI {    6}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.26184E-02 ppm1      8.430 ppm2      7.524 CV     1
 ASSI {    7}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.500     1.500     1.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.12372E-02 ppm1      8.431 ppm2      7.872 CV     1
 ASSI {   10}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.18478E-02 ppm1      7.238 ppm2      4.540 CV     1
 ASSI {   11}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.100     1.200     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.13485E-02 ppm1      7.236 ppm2      0.818 CV     1
 ASSI {   12}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG  ))
      3.400     1.400     1.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.27640E-02 ppm1      7.239 ppm2      1.716 CV     1
 ASSI {   14}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
      4.100     2.100     1.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.12016E-02 ppm1      7.241 ppm2      0.907 CV     1
 ASSI {   16}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.900     1.900     1.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.19092E-02 ppm1      8.077 ppm2      0.440 CV     1
 ASSI {   17}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      2.300     0.600     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.39974E-02 ppm1      8.079 ppm2      1.477 CV     1
 ASSI {   20}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.000     1.100     1.100 peak    20 spectrum    1 weight  0.10000E+01 volume  0.26237E-02 ppm1      7.092 ppm2      4.345 CV     1
 OR {   20}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {   21}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HE1 ))
      3.700     1.700     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.17148E-02 ppm1      8.319 ppm2      2.840 CV     1
 ASSI {   22}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.900     1.000     1.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.39245E-02 ppm1      8.319 ppm2      2.574 CV     1
 ASSI {   25}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.39261E-02 ppm1      8.686 ppm2      1.799 CV     1
 OR {   25}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {   27}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.700     2.700     3.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.17025E-02 ppm1      8.687 ppm2      1.166 CV     1
 ASSI {   30}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.600     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.16887E-02 ppm1      8.686 ppm2      2.573 CV     1
 ASSI {   33}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      3.000     1.100     1.100 peak    33 spectrum    1 weight  0.10000E+01 volume  0.28361E-02 ppm1      8.483 ppm2      0.827 CV     1
 OR {   33}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {   39}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.400     1.400     1.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.11852E-02 ppm1      8.634 ppm2      3.970 CV     1
 ASSI {   41}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.53148E-02 ppm1      8.637 ppm2      2.056 CV     1
 ASSI {   42}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.22883E-02 ppm1      8.982 ppm2      8.585 CV     1
 ASSI {   46}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.900     1.100     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.26027E-02 ppm1      8.460 ppm2      4.304 CV     1
 ASSI {   47}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.400     1.400     1.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.17628E-02 ppm1      8.459 ppm2      2.024 CV     1
 ASSI {   48}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      2.700     0.900     0.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.50035E-02 ppm1      8.458 ppm2      1.375 CV     1
 ASSI {   51}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.200     1.300     1.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.20620E-02 ppm1      8.638 ppm2      2.826 CV     1
 ASSI {   53}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33139E-02 ppm1      8.635 ppm2      7.905 CV     1
 ASSI {   55}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.22429E-02 ppm1      8.635 ppm2      8.840 CV     1
 ASSI {   56}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.47888E-02 ppm1      8.637 ppm2      2.003 CV     1
 ASSI {   64}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.34357E-02 ppm1      8.292 ppm2      1.758 CV     1
 ASSI {   65}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.000     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.24452E-02 ppm1      8.288 ppm2      1.814 CV     1
 ASSI {   70}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.72065E-02 ppm1      8.256 ppm2      4.271 CV     1
 ASSI {   71}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA2 ))
      2.500     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.64891E-02 ppm1      8.256 ppm2      3.866 CV     1
 OR {   71}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
 ASSI {   72}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.400     1.500     1.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.15015E-02 ppm1      8.256 ppm2      1.406 CV     1
 ASSI {   73}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.700     1.700     1.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.16037E-02 ppm1      8.255 ppm2      1.820 CV     1
 ASSI {   74}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.100     2.100     1.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.14460E-02 ppm1      8.258 ppm2      1.748 CV     1
 ASSI {   75}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.900     1.000     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.29836E-02 ppm1      7.781 ppm2      8.123 CV     1
 ASSI {   79}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
      2.400     0.700     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.75761E-02 ppm1      7.780 ppm2      3.865 CV     1
 OR {   79}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA2 ))
 ASSI {   81}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.600     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.38250E-02 ppm1      7.781 ppm2      2.086 CV     1
 ASSI {   83}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.000     1.200     1.200 peak    83 spectrum    1 weight  0.10000E+01 volume  0.19768E-02 ppm1      7.782 ppm2      0.855 CV     1
 ASSI {   87}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.400     0.700     0.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.23378E-02 ppm1      8.127 ppm2      2.091 CV     1
 ASSI {   91}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA2 ))
      2.300     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.77658E-02 ppm1      7.946 ppm2      3.865 CV     1
 OR {   91}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA1 ))
 ASSI {   94}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      2.400     0.700     0.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.56069E-02 ppm1      7.946 ppm2      0.865 CV     1
 ASSI {   98}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.25178E-02 ppm1      8.066 ppm2      4.474 CV     1
 ASSI {  100}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.000     1.100     1.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.28946E-02 ppm1      8.067 ppm2      3.965 CV     1
 ASSI {  102}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.500     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.13050E-02 ppm1      8.068 ppm2      1.469 CV     1
 OR {  102}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  108}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     2.900     3.100 peak   108 spectrum    1 weight  0.10000E+01 volume  0.90147E-03 ppm1      8.852 ppm2      7.917 CV     1
 ASSI {  109}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.17951E-02 ppm1      8.861 ppm2      7.795 CV     1
 ASSI {  110}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.20969E-02 ppm1      8.858 ppm2      7.635 CV     1
 ASSI {  113}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      4.200     2.300     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.84100E-03 ppm1      8.852 ppm2      5.039 CV     1
 ASSI {  117}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.40189E-02 ppm1      8.842 ppm2      4.231 CV     1
 ASSI {  119}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.000     1.100     1.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.19757E-02 ppm1      8.838 ppm2      3.961 CV     1
 ASSI {  121}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.400     1.400 peak   121 spectrum    1 weight  0.10000E+01 volume  0.11237E-02 ppm1      8.857 ppm2      3.549 CV     1
 ASSI {  122}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HD1 ))
      4.400     2.500     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.80326E-03 ppm1      8.858 ppm2      3.306 CV     1
 ASSI {  125}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.600     0.800     0.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.27293E-02 ppm1      8.858 ppm2      2.457 CV     1
 ASSI {  126}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.600     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.32366E-02 ppm1      8.859 ppm2      1.885 CV     1
 ASSI {  127}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.41860E-02 ppm1      8.858 ppm2      1.768 CV     1
 OR {  127}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG1 ))
 ASSI {  129}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      4.300     2.300     1.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.12657E-02 ppm1      8.858 ppm2      1.512 CV     1
 ASSI {  132}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      3.900     1.900     1.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.13061E-02 ppm1      8.859 ppm2      0.749 CV     1
 ASSI {  134}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      5.100     3.300     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.68258E-03 ppm1      7.901 ppm2      0.724 CV     1
 ASSI {  136}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HB% )
      4.300     2.300     1.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.78966E-03 ppm1      7.904 ppm2      1.617 CV     1
 ASSI {  138}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.54890E-02 ppm1      7.903 ppm2      1.881 CV     1
 OR {  138}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  160}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.000     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.28848E-02 ppm1      8.214 ppm2      2.577 CV     1
 ASSI {  178}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.43985E-02 ppm1      8.025 ppm2      8.161 CV     1
 ASSI {  179}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.41373E-02 ppm1      8.025 ppm2      7.514 CV     1
 ASSI {  184}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   184 spectrum    1 weight  0.10000E+01 volume  0.16823E-02 ppm1      8.025 ppm2      3.869 CV     1
 ASSI {  186}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.300     0.700     0.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.43969E-02 ppm1      8.025 ppm2      2.657 CV     1
 ASSI {  187}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.800     2.800     3.200 peak   187 spectrum    1 weight  0.10000E+01 volume  0.11284E-02 ppm1      8.022 ppm2      2.065 CV     1
 ASSI {  190}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HB% )
      4.000     2.000     2.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.15200E-02 ppm1      8.025 ppm2      1.603 CV     1
 ASSI {  196}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.14000E-02 ppm1      7.513 ppm2      4.343 CV     1
 ASSI {  197}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak   197 spectrum    1 weight  0.10000E+01 volume  0.26417E-02 ppm1      7.514 ppm2      2.788 CV     1
 ASSI {  206}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      2.600     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.23362E-02 ppm1      8.197 ppm2      2.904 CV     1
 ASSI {  207}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.700     0.900     0.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.34862E-02 ppm1      8.197 ppm2      2.644 CV     1
 ASSI {  209}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.300     1.300     1.300 peak   209 spectrum    1 weight  0.10000E+01 volume  0.31653E-02 ppm1      8.197 ppm2      2.257 CV     1
 ASSI {  210}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.26593E-02 ppm1      8.198 ppm2      1.981 CV     1
 ASSI {  213}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
      2.700     0.900     0.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.13044E-02 ppm1      8.197 ppm2      0.641 CV     1
 ASSI {  214}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.39567E-02 ppm1      7.933 ppm2      8.178 CV     1
 ASSI {  215}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      3.800     1.800     1.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.13712E-02 ppm1      7.934 ppm2      7.225 CV     1
 ASSI {  216}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.300     2.300     1.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      7.935 ppm2      4.128 CV     1
 ASSI {  217}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak   217 spectrum    1 weight  0.10000E+01 volume  0.12693E-02 ppm1      7.935 ppm2      4.018 CV     1
 ASSI {  218}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.29186E-02 ppm1      7.934 ppm2      3.627 CV     1
 ASSI {  219}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   219 spectrum    1 weight  0.10000E+01 volume  0.15658E-02 ppm1      7.933 ppm2      3.449 CV     1
 ASSI {  221}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.200     1.300     1.300 peak   221 spectrum    1 weight  0.10000E+01 volume  0.34746E-02 ppm1      7.933 ppm2      2.020 CV     1
 OR {  221}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  222}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      2.600     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.13111E-02 ppm1      7.937 ppm2      1.871 CV     1
 ASSI {  223}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      3.300     1.400     1.400 peak   223 spectrum    1 weight  0.10000E+01 volume  0.13509E-02 ppm1      7.933 ppm2      1.607 CV     1
 ASSI {  228}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.300     0.700     0.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.38296E-02 ppm1      7.986 ppm2      2.391 CV     1
 ASSI {  233}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.700     0.900     0.900 peak   233 spectrum    1 weight  0.10000E+01 volume  0.31937E-02 ppm1      8.638 ppm2      2.388 CV     1
 ASSI {  234}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.000     1.100     1.100 peak   234 spectrum    1 weight  0.10000E+01 volume  0.41981E-02 ppm1      8.638 ppm2      4.065 CV     1
 ASSI {  235}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.300     0.700     0.700 peak   235 spectrum    1 weight  0.10000E+01 volume  0.42580E-02 ppm1      8.638 ppm2      3.963 CV     1
 ASSI {  236}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.000     1.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.23864E-02 ppm1      8.638 ppm2      4.318 CV     1
 ASSI {  237}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.27151E-02 ppm1      8.637 ppm2      7.979 CV     1
 ASSI {  245}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.300     1.400     1.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11903E-02 ppm1      8.921 ppm2      3.628 CV     1
 ASSI {  246}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      3.000     1.100     1.100 peak   246 spectrum    1 weight  0.10000E+01 volume  0.35747E-02 ppm1      8.920 ppm2      2.637 CV     1
 ASSI {  249}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.30253E-02 ppm1      8.920 ppm2      2.020 CV     1
 ASSI {  256}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.36160E-02 ppm1      8.168 ppm2      2.013 CV     1
 ASSI {  261}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.800     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.23589E-02 ppm1      8.056 ppm2      3.759 CV     1
 ASSI {  262}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.100     1.200     1.200 peak   262 spectrum    1 weight  0.10000E+01 volume  0.20444E-02 ppm1      8.057 ppm2      3.957 CV     1
 ASSI {  266}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.40657E-02 ppm1      8.057 ppm2      7.901 CV     1
 ASSI {  272}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.400     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.11498E-02 ppm1      7.902 ppm2      3.965 CV     1
 ASSI {  274}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.000     1.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.18857E-02 ppm1      7.858 ppm2      4.324 CV     1
 ASSI {  276}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.900     1.900     1.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.11641E-02 ppm1      7.861 ppm2      3.951 CV     1
 ASSI {  277}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      3.300     1.300     1.300 peak   277 spectrum    1 weight  0.10000E+01 volume  0.16862E-02 ppm1      7.860 ppm2      3.814 CV     1
 ASSI {  278}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     3.500     2.500 peak   278 spectrum    1 weight  0.10000E+01 volume  0.31915E-03 ppm1      7.865 ppm2      8.194 CV     1
 ASSI {  279}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.400     2.400     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.72984E-03 ppm1      7.863 ppm2      8.051 CV     1
 ASSI {  282}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.000     1.100     1.100 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13090E-02 ppm1      8.588 ppm2      2.015 CV     1
 ASSI {  283}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      3.800     1.800     1.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.93857E-03 ppm1      8.590 ppm2      1.762 CV     1
 ASSI {  286}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      2.500     0.800     0.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.42209E-02 ppm1      8.591 ppm2      0.942 CV     1
 ASSI {  287}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.25377E-02 ppm1      8.476 ppm2      9.184 CV     1
 ASSI {  291}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.400     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.92853E-02 ppm1      8.476 ppm2      1.640 CV     1
 OR {  291}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  293}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.800     1.800     1.800 peak   293 spectrum    1 weight  0.10000E+01 volume  0.21331E-02 ppm1      8.476 ppm2      0.902 CV     1
 ASSI {  295}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.34827E-02 ppm1      9.181 ppm2      7.819 CV     1
 ASSI {  296}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.000     2.000     2.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1      9.181 ppm2      7.351 CV     1
 ASSI {  301}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.900     1.100     1.100 peak   301 spectrum    1 weight  0.10000E+01 volume  0.45118E-02 ppm1      9.182 ppm2      1.621 CV     1
 OR {  301}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  303}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.800     1.800     1.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.15117E-02 ppm1      9.181 ppm2      0.913 CV     1
 ASSI {  307}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.66555E-02 ppm1      7.818 ppm2      7.354 CV     1
 ASSI {  308}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.33911E-02 ppm1      7.818 ppm2      4.287 CV     1
 ASSI {  310}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   310 spectrum    1 weight  0.10000E+01 volume  0.13103E-02 ppm1      7.820 ppm2      3.849 CV     1
 ASSI {  312}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.65286E-02 ppm1      7.818 ppm2      2.006 CV     1
 OR {  312}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI {  314}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.28725E-02 ppm1      7.819 ppm2      1.421 CV     1
 ASSI {  315}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.500     1.500     1.500 peak   315 spectrum    1 weight  0.10000E+01 volume  0.18532E-02 ppm1      7.819 ppm2      0.931 CV     1
 ASSI {  318}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.31219E-02 ppm1      7.354 ppm2      4.430 CV     1
 ASSI {  322}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.58407E-02 ppm1      7.354 ppm2      1.982 CV     1
 ASSI {  324}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.28803E-02 ppm1      7.354 ppm2      1.257 CV     1
 ASSI {  329}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.800     1.800     1.800 peak   329 spectrum    1 weight  0.10000E+01 volume  0.12133E-02 ppm1      7.939 ppm2      7.352 CV     1
 ASSI {  331}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.800     1.000     1.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.37108E-02 ppm1      7.942 ppm2      4.595 CV     1
 ASSI {  332}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.000     0.500     0.500 peak   332 spectrum    1 weight  0.10000E+01 volume  0.12211E-01 ppm1      7.942 ppm2      4.432 CV     1
 ASSI {  336}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     1.100     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.29525E-02 ppm1      7.942 ppm2      2.744 CV     1
 ASSI {  337}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.500     0.800     0.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.51238E-02 ppm1      7.943 ppm2      2.493 CV     1
 ASSI {  339}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.800     1.800     1.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.15239E-02 ppm1      7.941 ppm2      1.992 CV     1
 ASSI {  340}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      3.700     1.700     1.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.12536E-02 ppm1      7.942 ppm2      1.731 CV     1
 ASSI {  344}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.500     1.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.28033E-02 ppm1      7.942 ppm2      0.760 CV     1
 ASSI {  347}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.900     1.900     1.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.10698E-02 ppm1      8.722 ppm2      0.912 CV     1
 ASSI {  348}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.900     0.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.47069E-02 ppm1      8.724 ppm2      2.579 CV     1
 OR {  348}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  354}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.300     1.300 peak   354 spectrum    1 weight  0.10000E+01 volume  0.17256E-02 ppm1      7.889 ppm2      4.598 CV     1
 ASSI {  355}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      3.800     1.800     1.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.10438E-02 ppm1      7.890 ppm2      4.455 CV     1
 ASSI {  357}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.58430E-02 ppm1      7.890 ppm2      3.874 CV     1
 OR {  357}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  358}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      3.300     1.400     1.400 peak   358 spectrum    1 weight  0.10000E+01 volume  0.20082E-02 ppm1      7.889 ppm2      2.466 CV     1
 ASSI {  367}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      3.100     1.200     1.200 peak   367 spectrum    1 weight  0.10000E+01 volume  0.20137E-02 ppm1      7.505 ppm2      7.327 CV     1
 ASSI {  368}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.21372E-02 ppm1      7.505 ppm2      5.036 CV     1
 ASSI {  369}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.100     0.600     0.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.61108E-02 ppm1      7.505 ppm2      4.908 CV     1
 ASSI {  370}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.600     0.800     0.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.27974E-02 ppm1      7.504 ppm2      4.318 CV     1
 ASSI {  371}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.400     0.700     0.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.29565E-02 ppm1      7.505 ppm2      2.901 CV     1
 ASSI {  372}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.200     2.200     1.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      7.504 ppm2      2.560 CV     1
 ASSI {  374}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      4.300     2.300     1.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.14417E-02 ppm1      7.505 ppm2      1.081 CV     1
 ASSI {  376}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HB% )
      2.400     0.700     0.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.73554E-02 ppm1      9.007 ppm2      1.531 CV     1
 ASSI {  383}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.36883E-02 ppm1      8.438 ppm2      9.006 CV     1
 ASSI {  387}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.000     2.000     2.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.16408E-02 ppm1      8.437 ppm2      2.567 CV     1
 ASSI {  389}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.30013E-02 ppm1      7.863 ppm2      8.440 CV     1
 ASSI {  395}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.36799E-02 ppm1      7.863 ppm2      7.715 CV     1
 ASSI {  396}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     1.300     1.300 peak   396 spectrum    1 weight  0.10000E+01 volume  0.16753E-02 ppm1      7.863 ppm2      4.429 CV     1
 ASSI {  398}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA2 ))
      2.400     0.700     0.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.49283E-02 ppm1      7.862 ppm2      3.735 CV     1
 ASSI {  399}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak   399 spectrum    1 weight  0.10000E+01 volume  0.11870E-02 ppm1      7.861 ppm2      2.298 CV     1
 ASSI {  403}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.19775E-02 ppm1      7.711 ppm2      3.919 CV     1
 ASSI {  407}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG12))
      2.600     0.900     0.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.19770E-02 ppm1      7.712 ppm2      1.197 CV     1
 ASSI {  410}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.200     0.600     0.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.74492E-02 ppm1      7.830 ppm2      3.917 CV     1
 ASSI {  411}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.900     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.16232E-02 ppm1      7.830 ppm2      2.622 CV     1
 ASSI {  423}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.400     1.400 peak   423 spectrum    1 weight  0.10000E+01 volume  0.11182E-02 ppm1      7.874 ppm2      3.809 CV     1
 ASSI {  424}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.200     1.300     1.300 peak   424 spectrum    1 weight  0.10000E+01 volume  0.15865E-02 ppm1      7.875 ppm2      4.025 CV     1
 OR {  424}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  426}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.900     0.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.36621E-02 ppm1      7.874 ppm2      1.810 CV     1
 ASSI {  427}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.42493E-02 ppm1      7.874 ppm2      1.722 CV     1
 ASSI {  428}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.300     2.300     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.14175E-02 ppm1      7.875 ppm2      1.591 CV     1
 ASSI {  429}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.14610E-02 ppm1      7.874 ppm2      0.897 CV     1
 OR {  429}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI {  431}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.600     0.800     0.800 peak   431 spectrum    1 weight  0.10000E+01 volume  0.46961E-02 ppm1      8.584 ppm2      3.860 CV     1
 OR {  431}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  432}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.500     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.32152E-02 ppm1      8.583 ppm2      1.811 CV     1
 ASSI {  433}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.600     1.600     1.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.25482E-02 ppm1      8.584 ppm2      1.711 CV     1
 ASSI {  436}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      2.900     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.21878E-02 ppm1      8.431 ppm2      0.745 CV     1
 ASSI {  438}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.37226E-02 ppm1      7.524 ppm2      7.978 CV     1
 ASSI {  440}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.500     2.500     1.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.49580E-03 ppm1      7.529 ppm2      3.877 CV     1
 OR {  440}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  442}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.200     1.300     1.300 peak   442 spectrum    1 weight  0.10000E+01 volume  0.13275E-02 ppm1      7.525 ppm2      3.525 CV     1
 ASSI {  450}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.26092E-02 ppm1      7.974 ppm2      3.606 CV     1
 ASSI {  452}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      2.300     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.48879E-02 ppm1      7.974 ppm2      2.084 CV     1
 ASSI {  457}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.500     1.500 peak   457 spectrum    1 weight  0.10000E+01 volume  0.10425E-02 ppm1      8.378 ppm2      3.609 CV     1
 ASSI {  458}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.19974E-02 ppm1      8.378 ppm2      2.947 CV     1
 ASSI {  459}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      2.600     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.28397E-02 ppm1      8.378 ppm2      2.082 CV     1
 ASSI {  465}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
      3.700     1.700     1.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.18183E-02 ppm1      8.377 ppm2      0.433 CV     1
 ASSI {  466}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.900     1.900     1.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.17093E-02 ppm1      8.378 ppm2     -0.012 CV     1
 ASSI {  467}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.20550E-02 ppm1      7.982 ppm2      8.382 CV     1
 ASSI {  470}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.13280E-02 ppm1      7.981 ppm2      4.211 CV     1
 ASSI {  472}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.000     1.100     1.100 peak   472 spectrum    1 weight  0.10000E+01 volume  0.30464E-02 ppm1      7.983 ppm2      3.378 CV     1
 ASSI {  475}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   475 spectrum    1 weight  0.10000E+01 volume  0.18385E-02 ppm1      8.146 ppm2      3.605 CV     1
 ASSI {  476}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.300     1.400     1.400 peak   476 spectrum    1 weight  0.10000E+01 volume  0.17382E-02 ppm1      8.147 ppm2      3.381 CV     1
 ASSI {  478}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.32809E-02 ppm1      8.146 ppm2      4.338 CV     1
 ASSI {  481}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.26715E-02 ppm1      8.355 ppm2      8.802 CV     1
 ASSI {  486}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.27298E-02 ppm1      8.356 ppm2      2.066 CV     1
 ASSI {  487}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.42985E-02 ppm1      8.356 ppm2      1.893 CV     1
 ASSI {  488}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.700     0.900     0.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.22353E-02 ppm1      8.355 ppm2      1.633 CV     1
 ASSI {  490}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.21391E-02 ppm1      8.804 ppm2      7.638 CV     1
 ASSI {  491}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      3.000     1.100     1.100 peak   491 spectrum    1 weight  0.10000E+01 volume  0.22747E-02 ppm1      8.805 ppm2      6.914 CV     1
 ASSI {  493}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.500     1.500     1.500 peak   493 spectrum    1 weight  0.10000E+01 volume  0.27576E-02 ppm1      8.804 ppm2      3.727 CV     1
 ASSI {  494}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.600     0.900     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.19413E-02 ppm1      8.803 ppm2      3.093 CV     1
 ASSI {  498}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.27440E-02 ppm1      7.637 ppm2      8.981 CV     1
 ASSI {  499}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.23877E-02 ppm1      7.638 ppm2      4.564 CV     1
 ASSI {  500}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.200     1.300     1.300 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21755E-02 ppm1      7.636 ppm2      3.731 CV     1
 ASSI {  502}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.500     0.800     0.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.51127E-02 ppm1      7.638 ppm2      1.995 CV     1
 OR {  502}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI {  503}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.500     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.24801E-02 ppm1      7.638 ppm2      1.894 CV     1
 ASSI {  504}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.800     3.800     2.200 peak   504 spectrum    1 weight  0.10000E+01 volume  0.14381E-02 ppm1      7.637 ppm2      1.636 CV     1
 ASSI {  505}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.15587E-02 ppm1      7.638 ppm2      3.090 CV     1
 ASSI {  506}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.12744E-02 ppm1      7.638 ppm2      4.342 CV     1
 ASSI {  513}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.000     1.100     1.100 peak   513 spectrum    1 weight  0.10000E+01 volume  0.23091E-02 ppm1      8.586 ppm2      4.709 CV     1
 ASSI {  514}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.30641E-02 ppm1      8.587 ppm2      4.127 CV     1
 ASSI {  516}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.23450E-02 ppm1      8.585 ppm2      2.745 CV     1
 ASSI {  520}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     0.800     0.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.25910E-02 ppm1      7.239 ppm2      6.947 CV     1
 ASSI {  521}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.600     1.600     1.600 peak   521 spectrum    1 weight  0.10000E+01 volume  0.20895E-02 ppm1      7.238 ppm2      2.492 CV     1
 ASSI {  522}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
      2.900     1.100     1.100 peak   522 spectrum    1 weight  0.10000E+01 volume  0.18206E-02 ppm1      7.239 ppm2      2.999 CV     1
 ASSI {  524}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.27577E-02 ppm1      6.944 ppm2      8.081 CV     1
 ASSI {  528}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
      2.500     0.800     0.800 peak   528 spectrum    1 weight  0.10000E+01 volume  0.39242E-02 ppm1      6.944 ppm2      3.834 CV     1
 ASSI {  530}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.32173E-02 ppm1      8.078 ppm2      4.556 CV     1
 ASSI {  531}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.19577E-02 ppm1      8.077 ppm2      4.246 CV     1
 ASSI {  533}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
      3.300     1.300     1.300 peak   533 spectrum    1 weight  0.10000E+01 volume  0.11902E-02 ppm1      8.076 ppm2      3.843 CV     1
 ASSI {  536}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.100     1.100 peak   536 spectrum    1 weight  0.10000E+01 volume  0.25103E-02 ppm1      8.593 ppm2      4.704 CV     1
 ASSI {  538}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.800     1.000     1.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.41021E-02 ppm1      8.594 ppm2      2.811 CV     1
 ASSI {  539}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.39035E-02 ppm1      8.593 ppm2      2.476 CV     1
 ASSI {  540}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.600     3.600     2.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.15281E-02 ppm1      8.593 ppm2      1.355 CV     1
 ASSI {  541}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19148E-02 ppm1      8.594 ppm2      0.920 CV     1
 ASSI {  543}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.300     2.300     1.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.12587E-02 ppm1      8.592 ppm2      0.455 CV     1
 ASSI {  546}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.300     0.600     0.600 peak   546 spectrum    1 weight  0.10000E+01 volume  0.83433E-02 ppm1      7.808 ppm2      4.697 CV     1
 ASSI {  553}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.43024E-02 ppm1      8.750 ppm2      7.426 CV     1
 ASSI {  556}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
      3.800     1.800     1.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.18655E-02 ppm1      8.751 ppm2      3.802 CV     1
 ASSI {  557}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
      2.900     1.100     1.100 peak   557 spectrum    1 weight  0.10000E+01 volume  0.12694E-02 ppm1      8.751 ppm2      3.664 CV     1
 ASSI {  559}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.700     0.900     0.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.30488E-02 ppm1      8.750 ppm2      2.033 CV     1
 ASSI {  560}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.800     0.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.37369E-02 ppm1      8.750 ppm2      1.906 CV     1
 ASSI {  562}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HD% )
      4.100     2.100     1.900 peak   562 spectrum    1 weight  0.10000E+01 volume  0.16997E-02 ppm1      7.425 ppm2      7.016 CV     1
 ASSI {  563}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak   563 spectrum    1 weight  0.10000E+01 volume  0.27188E-02 ppm1      7.425 ppm2      4.352 CV     1
 ASSI {  564}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.29750E-02 ppm1      7.425 ppm2      4.217 CV     1
 ASSI {  566}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak   566 spectrum    1 weight  0.10000E+01 volume  0.42916E-02 ppm1      7.425 ppm2      2.689 CV     1
 ASSI {  567}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.700     1.700     1.700 peak   567 spectrum    1 weight  0.10000E+01 volume  0.11977E-02 ppm1      7.427 ppm2      1.904 CV     1
 ASSI {  574}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.21665E-02 ppm1      7.763 ppm2      2.954 CV     1
 ASSI {  576}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.500     1.500     1.500 peak   576 spectrum    1 weight  0.10000E+01 volume  0.19184E-02 ppm1      7.762 ppm2      1.345 CV     1
 ASSI {  579}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.300     0.600     0.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.38586E-02 ppm1      6.959 ppm2      8.213 CV     1
 ASSI {  581}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.100     1.200     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.12924E-02 ppm1      6.961 ppm2      4.375 CV     1
 ASSI {  588}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.500     1.500 peak   588 spectrum    1 weight  0.10000E+01 volume  0.24706E-02 ppm1      8.211 ppm2      4.374 CV     1
 ASSI {  595}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     0.900     0.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.22724E-02 ppm1      7.712 ppm2      8.211 CV     1
 ASSI {  596}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   596 spectrum    1 weight  0.10000E+01 volume  0.17175E-02 ppm1      7.713 ppm2      4.706 CV     1
 ASSI {  602}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak   602 spectrum    1 weight  0.10000E+01 volume  0.50505E-02 ppm1      8.360 ppm2      4.715 CV     1
 ASSI {  607}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.27072E-02 ppm1      7.093 ppm2      8.358 CV     1
 ASSI {  608}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.000     1.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.15993E-02 ppm1      7.092 ppm2      5.031 CV     1
 ASSI {  609}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      2.400     0.700     0.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.65409E-02 ppm1      7.093 ppm2      1.719 CV     1
 ASSI {  610}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      3.000     1.100     1.100 peak   610 spectrum    1 weight  0.10000E+01 volume  0.21206E-02 ppm1      7.093 ppm2      1.086 CV     1
 ASSI {  612}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.39622E-02 ppm1      7.631 ppm2      5.028 CV     1
 ASSI {  614}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
      2.100     0.600     0.600 peak   614 spectrum    1 weight  0.10000E+01 volume  0.39886E-02 ppm1      7.630 ppm2      4.358 CV     1
 ASSI {  616}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.20328E-02 ppm1      7.631 ppm2      3.549 CV     1
 ASSI {  617}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.600     0.800     0.800 peak   617 spectrum    1 weight  0.10000E+01 volume  0.38794E-02 ppm1      7.631 ppm2      2.448 CV     1
 ASSI {  619}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      2.700     0.900     0.900 peak   619 spectrum    1 weight  0.10000E+01 volume  0.16235E-02 ppm1      7.631 ppm2      0.915 CV     1
 ASSI {  624}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.32095E-02 ppm1      7.799 ppm2      8.322 CV     1
 ASSI {  625}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.14731E-02 ppm1      7.798 ppm2      7.078 CV     1
 ASSI {  627}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.37032E-02 ppm1      7.799 ppm2      4.331 CV     1
 ASSI {  628}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.300     1.300 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12752E-02 ppm1      7.795 ppm2      3.821 CV     1
 ASSI {  629}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.900     1.000     1.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.14700E-02 ppm1      7.800 ppm2      1.871 CV     1
 ASSI {  630}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      2.300     0.700     0.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.86029E-02 ppm1      7.799 ppm2      1.728 CV     1
 ASSI {  634}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.32848E-02 ppm1      8.318 ppm2      8.687 CV     1
 ASSI {  637}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 37   and name HE% )
      3.100     1.200     1.200 peak   637 spectrum    1 weight  0.10000E+01 volume  0.20521E-02 ppm1      8.318 ppm2      7.051 CV     1
 ASSI {  641}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak   641 spectrum    1 weight  0.10000E+01 volume  0.18254E-02 ppm1      8.316 ppm2      3.549 CV     1
 ASSI {  642}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.300     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.74052E-02 ppm1      8.284 ppm2      3.386 CV     1
 OR {  642}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  646}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.20394E-02 ppm1      8.686 ppm2      3.771 CV     1
 ASSI {  647}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.26469E-02 ppm1      8.697 ppm2      8.296 CV     1
 ASSI {  651}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.600     0.800     0.800 peak   651 spectrum    1 weight  0.10000E+01 volume  0.23624E-02 ppm1      8.696 ppm2      1.793 CV     1
 ASSI {  652}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.100     1.100 peak   652 spectrum    1 weight  0.10000E+01 volume  0.20934E-02 ppm1      8.334 ppm2      4.094 CV     1
 ASSI {  653}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.700     0.900     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.27299E-02 ppm1      8.333 ppm2      3.382 CV     1
 OR {  653}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  654}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      2.500     0.800     0.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.25191E-02 ppm1      8.333 ppm2      2.778 CV     1
 ASSI {  655}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.100     1.200     1.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.16610E-02 ppm1      8.333 ppm2      2.490 CV     1
 ASSI {  656}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.300     1.400     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.26549E-02 ppm1      8.334 ppm2      2.256 CV     1
 ASSI {  657}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.900     1.000     1.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.20782E-02 ppm1      8.333 ppm2      1.691 CV     1
 ASSI {  661}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.600     0.800     0.800 peak   661 spectrum    1 weight  0.10000E+01 volume  0.26390E-02 ppm1      8.482 ppm2      1.520 CV     1
 ASSI {  662}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.900     1.900     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.15008E-02 ppm1      8.484 ppm2      2.256 CV     1
 ASSI {  663}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.400     1.400     1.400 peak   663 spectrum    1 weight  0.10000E+01 volume  0.10613E-02 ppm1      8.483 ppm2      4.360 CV     1
 ASSI {  668}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.900     0.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.34230E-02 ppm1      7.699 ppm2      8.485 CV     1
 ASSI {  669}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.500     1.600     1.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.20478E-02 ppm1      7.698 ppm2      1.886 CV     1
 ASSI {  670}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HG  ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.12754E-02 ppm1      7.697 ppm2      1.749 CV     1
 ASSI {  671}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.900     1.000     1.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.16252E-02 ppm1      7.699 ppm2      1.512 CV     1
 ASSI {  677}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.400     1.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.29282E-02 ppm1      8.127 ppm2      7.702 CV     1
 ASSI {  681}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA1 ))
      2.400     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.82203E-02 ppm1      8.127 ppm2      3.905 CV     1
 OR {  681}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA2 ))
 ASSI {  682}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.700     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.32752E-02 ppm1      8.126 ppm2      3.776 CV     1
 ASSI {  690}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA1 ))
      2.400     0.700     0.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.87272E-02 ppm1      8.391 ppm2      3.931 CV     1
 OR {  690}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA2 ))
 ASSI {  692}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.52610E-02 ppm1      8.214 ppm2      3.933 CV     1
 OR {  692}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA1 ))
 ASSI {  693}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak   693 spectrum    1 weight  0.10000E+01 volume  0.28277E-02 ppm1      8.211 ppm2      4.612 CV     1
 ASSI {  698}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.31735E-02 ppm1      8.264 ppm2      4.611 CV     1
 ASSI {  699}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.400     1.400 peak   699 spectrum    1 weight  0.10000E+01 volume  0.13402E-02 ppm1      8.265 ppm2      4.345 CV     1
 ASSI {  703}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.000     1.200     1.200 peak   703 spectrum    1 weight  0.10000E+01 volume  0.26631E-02 ppm1      8.264 ppm2      1.380 CV     1
 ASSI {  709}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HB2 ))
      3.500     1.500     1.500 peak   709 spectrum    1 weight  0.10000E+01 volume  0.20698E-02 ppm1      7.478 ppm2      2.551 CV     1
 ASSI {  711}
   (( segid "    " and resid 36   and name HD21))
   (  segid "    " and resid 74   and name HG2%)
      3.400     1.500     1.500 peak   711 spectrum    1 weight  0.10000E+01 volume  0.92232E-03 ppm1      6.795 ppm2      1.079 CV     1
 ASSI {  712}
   (( segid "    " and resid 36   and name HD22))
   (  segid "    " and resid 74   and name HG2%)
      3.700     1.700     1.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.12162E-02 ppm1      7.478 ppm2      1.078 CV     1
 ASSI {  723}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HD2 ))
      2.800     1.000     1.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.25964E-02 ppm1      7.446 ppm2      3.188 CV     1
 ASSI {  724}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.800     1.800     1.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.15499E-02 ppm1      7.446 ppm2      2.017 CV     1
 OR {  724}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  725}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.000     1.200     1.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      7.444 ppm2      1.853 CV     1
 ASSI {  731}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.100     1.200     1.200 peak   731 spectrum    1 weight  0.10000E+01 volume  0.25615E-02 ppm1      7.431 ppm2      1.903 CV     1
 OR {  731}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  733}
   (( segid "    " and resid 53   and name HE  ))
   (  segid "    " and resid 19   and name HG2%)
      4.100     2.100     1.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      7.431 ppm2      1.192 CV     1
 ASSI {  734}
   (( segid "    " and resid 53   and name HE  ))
   (  segid "    " and resid 49   and name HG1%)
      3.900     1.900     1.900 peak   734 spectrum    1 weight  0.10000E+01 volume  0.69378E-03 ppm1      7.427 ppm2      0.811 CV     1
 ASSI {  736}
   (( segid "    " and resid 76   and name HE  ))
   (( segid "    " and resid 76   and name HD1 ))
      2.700     0.900     0.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.33617E-02 ppm1      7.371 ppm2      3.297 CV     1
 ASSI {  737}
   (( segid "    " and resid 76   and name HE  ))
   (( segid "    " and resid 76   and name HB1 ))
      4.500     2.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.94621E-03 ppm1      7.367 ppm2      1.891 CV     1
 ASSI {  738}
   (( segid "    " and resid 76   and name HE  ))
   (( segid "    " and resid 79   and name HD2 ))
      4.000     2.000     2.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.10992E-02 ppm1      7.369 ppm2      1.640 CV     1
 OR {  738}
   (( segid "    " and resid 76   and name HE  ))
   (( segid "    " and resid 79   and name HD1 ))
 ASSI {  741}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      2.900     1.000     1.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.21767E-02 ppm1      7.215 ppm2      3.310 CV     1
 OR {  741}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD2 ))
 ASSI {  745}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.300     1.400     1.400 peak   745 spectrum    1 weight  0.10000E+01 volume  0.91850E-03 ppm1      7.215 ppm2      1.884 CV     1
 ASSI {  748}
   (( segid "    " and resid 53   and name HE  ))
   (( segid "    " and resid 53   and name HD2 ))
      3.000     1.100     1.100 peak   748 spectrum    1 weight  0.10000E+01 volume  0.15756E-02 ppm1      7.432 ppm2      2.863 CV     1
 ASSI {  756}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HA  ))
      4.900     3.000     1.100 peak   756 spectrum    1 weight  0.10000E+01 volume  0.64334E-03 ppm1      7.475 ppm2      4.906 CV     1
 ASSI {  757}
   (( segid "    " and resid 36   and name HD21))
   (  segid "    " and resid 38   and name HB% )
      4.300     2.300     1.700 peak   757 spectrum    1 weight  0.10000E+01 volume  0.58344E-03 ppm1      6.791 ppm2      1.551 CV     1
 ASSI {  759}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
      4.000     2.000     2.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.72900E-03 ppm1      7.891 ppm2      4.364 CV     1
 ASSI {  767}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   767 spectrum    1 weight  0.10000E+01 volume  0.87590E-02 ppm1      8.293 ppm2      4.298 CV     1
 ASSI {  770}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      3.500     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.15391E-02 ppm1      7.810 ppm2      0.424 CV     1
 ASSI {  772}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.600     1.600     1.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.81200E-03 ppm1      7.980 ppm2      2.954 CV     1
 ASSI {  773}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      4.600     2.600     1.400 peak   773 spectrum    1 weight  0.10000E+01 volume  0.57486E-03 ppm1      7.985 ppm2      0.934 CV     1
 ASSI {  775}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      4.700     2.800     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.69520E-03 ppm1      7.981 ppm2      0.606 CV     1
 ASSI {  777}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.700     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.61802E-03 ppm1      8.142 ppm2      2.961 CV     1
 ASSI {  782}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.700     1.700     1.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.20291E-02 ppm1      8.320 ppm2      1.098 CV     1
 OR {  782}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
 ASSI {  784}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.500     2.500     1.500 peak   784 spectrum    1 weight  0.10000E+01 volume  0.92063E-03 ppm1      7.760 ppm2      3.772 CV     1
 ASSI {  785}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   785 spectrum    1 weight  0.10000E+01 volume  0.11428E-02 ppm1      7.763 ppm2      3.586 CV     1
 ASSI {  791}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   791 spectrum    1 weight  0.10000E+01 volume  0.15905E-02 ppm1      8.258 ppm2      7.782 CV     1
 ASSI {  798}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      4.800     2.800     1.200 peak   798 spectrum    1 weight  0.10000E+01 volume  0.57787E-03 ppm1      8.486 ppm2      2.494 CV     1
 ASSI {  799}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HD% )
      3.400     1.500     1.500 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10846E-02 ppm1      8.333 ppm2      7.168 CV     1
 ASSI {  801}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      4.400     2.400     1.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.75496E-03 ppm1      8.378 ppm2      0.248 CV     1
 ASSI {  803}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      3.900     1.900     1.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.95851E-03 ppm1      8.056 ppm2      0.758 CV     1
 OR {  803}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {  805}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.500     1.600     1.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      7.698 ppm2      4.367 CV     1
 ASSI {  806}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.900     1.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.58844E-03 ppm1      7.977 ppm2      3.756 CV     1
 ASSI {    5}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.100     2.100     1.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.63279E-03 ppm1      8.635 ppm2      4.478 CV     1
 ASSI {    6}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak     6 spectrum    1 weight  0.10000E+01 volume  0.19427E-02 ppm1      8.636 ppm2      4.361 CV     1
 ASSI {    7}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.300     1.300     1.300 peak     7 spectrum    1 weight  0.10000E+01 volume  0.14487E-02 ppm1      8.635 ppm2      4.257 CV     1
 ASSI {    9}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.21941E-02 ppm1      8.636 ppm2      2.741 CV     1
 ASSI {   12}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.300     2.300     1.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.42232E-03 ppm1      8.462 ppm2      1.964 CV     1
 ASSI {   17}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     1.000     1.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.18446E-02 ppm1      8.047 ppm2      1.879 CV     1
 ASSI {   25}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.28686E-02 ppm1      7.770 ppm2      6.954 CV     1
 ASSI {   26}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HD% )
      4.200     2.200     1.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.83420E-03 ppm1      8.285 ppm2      7.162 CV     1
 ASSI {   34}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.40907E-03 ppm1      8.636 ppm2      8.178 CV     1
 ASSI {   40}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.40373E-02 ppm1      8.636 ppm2      4.139 CV     1
 ASSI {   41}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.300     1.400     1.400 peak    41 spectrum    1 weight  0.10000E+01 volume  0.27652E-02 ppm1      8.636 ppm2      2.333 CV     1
 OR {   41}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {   49}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.000     1.100     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.22515E-02 ppm1      8.462 ppm2      8.286 CV     1
 ASSI {   50}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.500     1.500     1.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.15675E-02 ppm1      8.461 ppm2      8.643 CV     1
 ASSI {   95}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG1%)
      3.200     1.300     1.300 peak    95 spectrum    1 weight  0.10000E+01 volume  0.46523E-02 ppm1      7.770 ppm2      0.709 CV     1
 ASSI {   99}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.28848E-02 ppm1      8.107 ppm2      7.956 CV     1
 ASSI {  100}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.37768E-02 ppm1      8.109 ppm2      3.998 CV     1
 ASSI {  108}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.100     2.100     1.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.14065E-02 ppm1      8.110 ppm2      0.852 CV     1
 ASSI {  125}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.22755E-02 ppm1      7.962 ppm2      2.121 CV     1
 ASSI {  148}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.46262E-03 ppm1      8.865 ppm2      7.901 CV     1
 ASSI {  154}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD21))
      4.300     2.300     1.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.22497E-03 ppm1      8.852 ppm2      6.897 CV     1
 ASSI {  157}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.58520E-02 ppm1      8.856 ppm2      4.476 CV     1
 ASSI {  166}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
      4.700     2.800     1.300 peak   166 spectrum    1 weight  0.10000E+01 volume  0.31973E-03 ppm1      8.868 ppm2      3.078 CV     1
 ASSI {  167}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.000     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.23266E-02 ppm1      8.856 ppm2      2.830 CV     1
 ASSI {  168}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.600     0.900     0.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.35173E-02 ppm1      8.855 ppm2      2.742 CV     1
 ASSI {  169}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.800     1.800     1.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.82080E-03 ppm1      8.873 ppm2      2.566 CV     1
 OR {  169}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  172}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      4.600     2.700     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.50986E-03 ppm1      8.850 ppm2      2.336 CV     1
 OR {  172}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  174}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.34037E-02 ppm1      8.873 ppm2      1.778 CV     1
 ASSI {  180}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.400     1.400     1.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.16299E-02 ppm1      8.871 ppm2      0.922 CV     1
 ASSI {  186}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.400     1.500     1.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.11707E-02 ppm1      7.894 ppm2      1.465 CV     1
 OR {  186}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  188}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.12489E-02 ppm1      7.894 ppm2      2.072 CV     1
 ASSI {  189}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.100     1.200     1.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.47385E-02 ppm1      7.895 ppm2      1.891 CV     1
 ASSI {  192}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.600     1.600     1.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.85473E-03 ppm1      7.894 ppm2      2.332 CV     1
 OR {  192}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  193}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HE2 ))
      4.700     2.800     1.300 peak   193 spectrum    1 weight  0.10000E+01 volume  0.40283E-03 ppm1      7.897 ppm2      2.983 CV     1
 OR {  193}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HE1 ))
 ASSI {  195}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      5.500     3.800     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.15799E-03 ppm1      7.893 ppm2      2.758 CV     1
 ASSI {  196}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.600     2.600     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.24539E-03 ppm1      7.889 ppm2      4.464 CV     1
 ASSI {  197}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.200     2.200     1.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.31387E-03 ppm1      7.894 ppm2      4.371 CV     1
 ASSI {  201}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.100     2.100     1.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.37781E-03 ppm1      7.900 ppm2      3.956 CV     1
 ASSI {  202}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.900     3.000     1.100 peak   202 spectrum    1 weight  0.10000E+01 volume  0.28271E-03 ppm1      7.894 ppm2      3.875 CV     1
 ASSI {  204}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.800     1.800     1.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.57236E-03 ppm1      7.895 ppm2      8.057 CV     1
 ASSI {  213}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.44132E-02 ppm1      8.177 ppm2      7.897 CV     1
 ASSI {  224}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.12748E-02 ppm1      8.174 ppm2      4.417 CV     1
 ASSI {  227}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.25252E-02 ppm1      8.180 ppm2      3.449 CV     1
 ASSI {  229}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      2.400     0.700     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.57773E-02 ppm1      8.180 ppm2      2.503 CV     1
 ASSI {  233}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.400     0.700     0.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.62526E-02 ppm1      8.178 ppm2      1.939 CV     1
 ASSI {  242}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
      2.100     0.600     0.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.57784E-02 ppm1      8.179 ppm2      0.643 CV     1
 ASSI {  260}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak   260 spectrum    1 weight  0.10000E+01 volume  0.57102E-02 ppm1      8.025 ppm2      2.793 CV     1
 ASSI {  262}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.300     2.300     1.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.35971E-03 ppm1      8.023 ppm2      2.334 CV     1
 OR {  262}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  271}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
      4.400     2.400     1.600 peak   271 spectrum    1 weight  0.10000E+01 volume  0.53130E-03 ppm1      8.027 ppm2      0.847 CV     1
 ASSI {  295}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
      4.300     2.300     1.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.57914E-03 ppm1      7.501 ppm2      0.639 CV     1
 ASSI {  306}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.700     1.700 peak   306 spectrum    1 weight  0.10000E+01 volume  0.78798E-03 ppm1      8.207 ppm2      7.940 CV     1
 ASSI {  307}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.60996E-03 ppm1      8.206 ppm2      7.502 CV     1
 ASSI {  308}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.20441E-02 ppm1      8.207 ppm2      4.416 CV     1
 ASSI {  309}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.12798E-02 ppm1      8.207 ppm2      4.342 CV     1
 ASSI {  311}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      5.100     3.300     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.14888E-03 ppm1      8.218 ppm2      4.015 CV     1
 ASSI {  312}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.600     2.600     1.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.84987E-03 ppm1      8.212 ppm2      3.877 CV     1
 ASSI {  313}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     1.600     1.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.69358E-03 ppm1      8.206 ppm2      3.451 CV     1
 ASSI {  317}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      3.200     1.300     1.300 peak   317 spectrum    1 weight  0.10000E+01 volume  0.30323E-02 ppm1      8.208 ppm2      2.507 CV     1
 ASSI {  318}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      4.200     2.200     1.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.48808E-03 ppm1      8.205 ppm2      2.401 CV     1
 ASSI {  323}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      5.700     4.100     0.300 peak   323 spectrum    1 weight  0.10000E+01 volume  0.11528E-03 ppm1      8.217 ppm2      1.867 CV     1
 ASSI {  328}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.19942E-02 ppm1      8.207 ppm2      0.736 CV     1
 ASSI {  333}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
      4.800     2.800     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.38485E-03 ppm1      8.173 ppm2      3.265 CV     1
 ASSI {  334}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
      4.700     2.800     1.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.59451E-03 ppm1      8.177 ppm2      3.189 CV     1
 ASSI {  339}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      2.200     0.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.49171E-02 ppm1      8.176 ppm2      1.624 CV     1
 ASSI {  340}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG  ))
      3.600     1.600     1.600 peak   340 spectrum    1 weight  0.10000E+01 volume  0.17686E-02 ppm1      8.173 ppm2      1.723 CV     1
 ASSI {  346}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.32425E-03 ppm1      7.936 ppm2      8.919 CV     1
 ASSI {  347}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.200     2.200     1.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.37372E-03 ppm1      7.940 ppm2      8.647 CV     1
 ASSI {  350}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.600     2.700     1.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.35209E-03 ppm1      7.942 ppm2      6.937 CV     1
 ASSI {  351}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.400     2.400     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.26638E-03 ppm1      7.947 ppm2      4.409 CV     1
 ASSI {  357}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      4.600     2.600     1.400 peak   357 spectrum    1 weight  0.10000E+01 volume  0.42349E-03 ppm1      7.942 ppm2      2.396 CV     1
 ASSI {  363}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      4.800     2.900     1.200 peak   363 spectrum    1 weight  0.10000E+01 volume  0.40005E-03 ppm1      7.946 ppm2      1.100 CV     1
 OR {  363}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  365}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.300     2.300     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.39850E-03 ppm1      7.944 ppm2      0.823 CV     1
 ASSI {  366}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      4.300     2.300     1.700 peak   366 spectrum    1 weight  0.10000E+01 volume  0.29229E-03 ppm1      7.939 ppm2      0.744 CV     1
 ASSI {  367}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
      4.900     3.000     1.100 peak   367 spectrum    1 weight  0.10000E+01 volume  0.26682E-03 ppm1      7.941 ppm2      0.647 CV     1
 ASSI {  371}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      3.700     1.700     1.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.73437E-03 ppm1      7.995 ppm2      7.241 CV     1
 ASSI {  373}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.400     1.400 peak   373 spectrum    1 weight  0.10000E+01 volume  0.12311E-02 ppm1      7.996 ppm2      4.412 CV     1
 ASSI {  375}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.100     2.100     1.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.33071E-03 ppm1      7.994 ppm2      4.029 CV     1
 ASSI {  377}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.71553E-03 ppm1      8.000 ppm2      3.641 CV     1
 ASSI {  378}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.18885E-02 ppm1      7.995 ppm2      3.352 CV     1
 ASSI {  379}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      2.800     1.000     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.22926E-02 ppm1      7.995 ppm2      2.651 CV     1
 ASSI {  384}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      3.700     1.700     1.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.64069E-03 ppm1      7.990 ppm2      0.742 CV     1
 ASSI {  389}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.32499E-02 ppm1      8.636 ppm2      8.918 CV     1
 ASSI {  399}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     3.700     2.300 peak   399 spectrum    1 weight  0.10000E+01 volume  0.86049E-03 ppm1      8.637 ppm2      7.908 CV     1
 ASSI {  406}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      4.100     2.100     1.900 peak   406 spectrum    1 weight  0.10000E+01 volume  0.66905E-03 ppm1      8.636 ppm2      3.855 CV     1
 ASSI {  407}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.400     2.400     1.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.21659E-03 ppm1      8.639 ppm2      3.653 CV     1
 ASSI {  409}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.73728E-03 ppm1      8.634 ppm2      3.349 CV     1
 ASSI {  417}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      4.800     2.900     1.200 peak   417 spectrum    1 weight  0.10000E+01 volume  0.24959E-03 ppm1      8.635 ppm2      2.300 CV     1
 ASSI {  418}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.700     1.700     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.23859E-03 ppm1      8.635 ppm2      1.858 CV     1
 ASSI {  421}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.700     2.800     1.300 peak   421 spectrum    1 weight  0.10000E+01 volume  0.17232E-03 ppm1      8.638 ppm2      1.274 CV     1
 ASSI {  425}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.000     2.000     2.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.47074E-03 ppm1      8.637 ppm2      0.761 CV     1
 ASSI {  435}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.500     2.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.26235E-03 ppm1      8.926 ppm2      7.991 CV     1
 ASSI {  442}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.800     2.900     1.200 peak   442 spectrum    1 weight  0.10000E+01 volume  0.12460E-03 ppm1      8.936 ppm2      3.361 CV     1
 ASSI {  445}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.000     1.100     1.100 peak   445 spectrum    1 weight  0.10000E+01 volume  0.18560E-02 ppm1      8.923 ppm2      2.324 CV     1
 ASSI {  446}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.500     1.500     1.500 peak   446 spectrum    1 weight  0.10000E+01 volume  0.30211E-02 ppm1      8.925 ppm2      2.196 CV     1
 ASSI {  448}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.400     2.400     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.44779E-03 ppm1      8.925 ppm2      1.621 CV     1
 ASSI {  455}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.24589E-02 ppm1      8.178 ppm2      8.921 CV     1
 ASSI {  460}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.700     1.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.74065E-03 ppm1      8.178 ppm2      7.902 CV     1
 ASSI {  463}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.25178E-02 ppm1      8.179 ppm2      4.368 CV     1
 ASSI {  465}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.600     2.700     1.400 peak   465 spectrum    1 weight  0.10000E+01 volume  0.30975E-03 ppm1      8.171 ppm2      4.069 CV     1
 ASSI {  467}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.700     2.800     1.300 peak   467 spectrum    1 weight  0.10000E+01 volume  0.32616E-03 ppm1      8.186 ppm2      3.756 CV     1
 ASSI {  468}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.46838E-03 ppm1      8.181 ppm2      3.646 CV     1
 ASSI {  469}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.54923E-03 ppm1      8.180 ppm2      3.353 CV     1
 ASSI {  472}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
      3.400     1.500     1.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.24154E-02 ppm1      8.180 ppm2      2.557 CV     1
 ASSI {  473}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      4.300     2.300     1.700 peak   473 spectrum    1 weight  0.10000E+01 volume  0.67986E-03 ppm1      8.179 ppm2      2.305 CV     1
 ASSI {  474}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     1.400     1.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.18799E-02 ppm1      8.178 ppm2      2.197 CV     1
 ASSI {  476}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      2.900     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.17793E-02 ppm1      8.179 ppm2      1.967 CV     1
 ASSI {  477}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500     0.800     0.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.27262E-02 ppm1      8.178 ppm2      1.633 CV     1
 ASSI {  480}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      4.600     2.700     1.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.43689E-03 ppm1      8.184 ppm2      0.822 CV     1
 ASSI {  482}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      4.600     2.600     1.400 peak   482 spectrum    1 weight  0.10000E+01 volume  0.49026E-03 ppm1      8.174 ppm2      0.607 CV     1
 ASSI {  483}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
      4.600     2.600     1.400 peak   483 spectrum    1 weight  0.10000E+01 volume  0.38121E-03 ppm1      8.187 ppm2      0.441 CV     1
 ASSI {  484}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      5.200     3.300     0.800 peak   484 spectrum    1 weight  0.10000E+01 volume  0.19959E-03 ppm1      8.186 ppm2      0.009 CV     1
 ASSI {  487}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      3.900     1.900     1.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.47554E-03 ppm1      8.056 ppm2      0.611 CV     1
 ASSI {  491}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.100     1.200     1.200 peak   491 spectrum    1 weight  0.10000E+01 volume  0.90179E-03 ppm1      8.051 ppm2      1.634 CV     1
 ASSI {  496}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
      4.800     2.900     1.200 peak   496 spectrum    1 weight  0.10000E+01 volume  0.46374E-03 ppm1      8.046 ppm2      2.555 CV     1
 ASSI {  498}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      5.000     3.100     1.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.29168E-03 ppm1      8.059 ppm2      2.179 CV     1
 ASSI {  499}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.49146E-03 ppm1      8.054 ppm2      3.354 CV     1
 ASSI {  500}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.100     2.100     1.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.48538E-03 ppm1      8.051 ppm2      3.849 CV     1
 OR {  500}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  503}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      4.600     2.700     1.400 peak   503 spectrum    1 weight  0.10000E+01 volume  0.45083E-03 ppm1      8.055 ppm2      4.153 CV     1
 ASSI {  504}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.25482E-02 ppm1      8.053 ppm2      4.392 CV     1
 ASSI {  505}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.65208E-03 ppm1      8.056 ppm2      4.308 CV     1
 ASSI {  509}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.30852E-02 ppm1      8.055 ppm2      8.174 CV     1
 ASSI {  510}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.34881E-03 ppm1      8.049 ppm2      8.925 CV     1
 ASSI {  516}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.200     2.300     1.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.33048E-03 ppm1      7.911 ppm2      4.057 CV     1
 ASSI {  521}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      4.700     2.800     1.300 peak   521 spectrum    1 weight  0.10000E+01 volume  0.48180E-03 ppm1      7.915 ppm2      1.750 CV     1
 ASSI {  523}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      6.000     4.500     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.13708E-03 ppm1      7.905 ppm2      0.887 CV     1
 ASSI {  525}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      3.300     1.400     1.400 peak   525 spectrum    1 weight  0.10000E+01 volume  0.12421E-02 ppm1      7.864 ppm2      4.142 CV     1
 ASSI {  527}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.400     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.97003E-03 ppm1      7.866 ppm2      3.978 CV     1
 ASSI {  529}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.200     2.200     1.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.54716E-03 ppm1      7.861 ppm2      4.406 CV     1
 ASSI {  534}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.98389E-03 ppm1      7.863 ppm2      8.580 CV     1
 ASSI {  539}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.500     1.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.24146E-02 ppm1      8.575 ppm2      8.479 CV     1
 ASSI {  548}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      5.200     3.400     0.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.10439E-03 ppm1      8.586 ppm2      4.323 CV     1
 ASSI {  550}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.900     1.900     1.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.11041E-02 ppm1      8.576 ppm2      2.235 CV     1
 OR {  550}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR {  550}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  558}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG12))
      4.600     2.700     1.400 peak   558 spectrum    1 weight  0.10000E+01 volume  0.57297E-03 ppm1      8.576 ppm2      1.123 CV     1
 ASSI {  561}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      5.000     3.200     1.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.19008E-03 ppm1      8.577 ppm2      0.783 CV     1
 ASSI {  562}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      5.000     3.100     1.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.17451E-03 ppm1      8.570 ppm2      7.352 CV     1
 ASSI {  567}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.400     1.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.25726E-03 ppm1      8.478 ppm2      7.843 CV     1
 ASSI {  571}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.900     1.900     1.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.55585E-03 ppm1      8.480 ppm2      3.952 CV     1
 ASSI {  576}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      4.600     2.600     1.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.35141E-03 ppm1      8.491 ppm2      2.296 CV     1
 OR {  576}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  578}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.400     0.700     0.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.73489E-02 ppm1      8.479 ppm2      1.649 CV     1
 ASSI {  589}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.600     1.400 peak   589 spectrum    1 weight  0.10000E+01 volume  0.39227E-03 ppm1      9.163 ppm2      8.583 CV     1
 ASSI {  594}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.200     3.300     0.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.20481E-03 ppm1      9.170 ppm2      4.289 CV     1
 ASSI {  598}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      2.800     0.900     0.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.27459E-02 ppm1      9.169 ppm2      2.288 CV     1
 OR {  598}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  615}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.52113E-03 ppm1      7.832 ppm2      8.564 CV     1
 ASSI {  626}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      2.500     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.74065E-02 ppm1      7.835 ppm2      2.240 CV     1
 OR {  626}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  626}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  632}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak   632 spectrum    1 weight  0.10000E+01 volume  0.30880E-03 ppm1      7.832 ppm2      1.618 CV     1
 OR {  632}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  634}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HG12))
      4.300     2.300     1.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.31639E-03 ppm1      7.859 ppm2      1.190 CV     1
 ASSI {  635}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      4.800     2.900     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.20334E-03 ppm1      7.825 ppm2      1.141 CV     1
 ASSI {  636}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.800     2.900     1.200 peak   636 spectrum    1 weight  0.10000E+01 volume  0.28830E-03 ppm1      7.835 ppm2      1.262 CV     1
 ASSI {  638}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.600     2.600     1.400 peak   638 spectrum    1 weight  0.10000E+01 volume  0.51528E-03 ppm1      7.834 ppm2      0.868 CV     1
 ASSI {  648}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.500     1.500     1.500 peak   648 spectrum    1 weight  0.10000E+01 volume  0.15523E-02 ppm1      7.363 ppm2      2.238 CV     1
 OR {  648}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI {  654}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.500     1.500     1.500 peak   654 spectrum    1 weight  0.10000E+01 volume  0.78552E-03 ppm1      7.360 ppm2      4.036 CV     1
 ASSI {  662}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.800     1.800     1.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.51436E-03 ppm1      7.367 ppm2      1.158 CV     1
 ASSI {  663}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.300     1.300     1.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.13302E-02 ppm1      7.362 ppm2      0.947 CV     1
 ASSI {  664}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.900     1.900     1.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.14094E-02 ppm1      7.361 ppm2      0.867 CV     1
 ASSI {  680}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.700     1.700     1.700 peak   680 spectrum    1 weight  0.10000E+01 volume  0.68549E-03 ppm1      7.949 ppm2      4.277 CV     1
 ASSI {  686}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak   686 spectrum    1 weight  0.10000E+01 volume  0.21121E-02 ppm1      7.932 ppm2      2.569 CV     1
 OR {  686}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  692}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.200     2.200     1.800 peak   692 spectrum    1 weight  0.10000E+01 volume  0.18875E-03 ppm1      7.965 ppm2      2.218 CV     1
 OR {  692}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  693}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.100     2.100     1.900 peak   693 spectrum    1 weight  0.10000E+01 volume  0.10888E-02 ppm1      7.960 ppm2      1.258 CV     1
 ASSI {  704}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.600     0.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.82410E-02 ppm1      8.723 ppm2      4.447 CV     1
 OR {  704}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
 ASSI {  711}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.600     2.600     1.400 peak   711 spectrum    1 weight  0.10000E+01 volume  0.30087E-03 ppm1      8.728 ppm2      1.789 CV     1
 ASSI {  714}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      4.400     2.400     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.31533E-03 ppm1      8.718 ppm2      0.744 CV     1
 ASSI {  717}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.20631E-02 ppm1      7.927 ppm2      8.719 CV     1
 ASSI {  720}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.300     1.300 peak   720 spectrum    1 weight  0.10000E+01 volume  0.10737E-02 ppm1      7.926 ppm2      4.242 CV     1
 ASSI {  724}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.70368E-03 ppm1      7.898 ppm2      7.641 CV     1
 ASSI {  730}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.60260E-03 ppm1      7.899 ppm2      4.437 CV     1
 ASSI {  735}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.800     1.800     1.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.49105E-03 ppm1      7.895 ppm2      2.759 CV     1
 ASSI {  736}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      4.500     2.500     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.35569E-03 ppm1      7.894 ppm2      2.579 CV     1
 OR {  736}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  739}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.200     3.200     2.800 peak   739 spectrum    1 weight  0.10000E+01 volume  0.51530E-03 ppm1      7.899 ppm2      1.160 CV     1
 ASSI {  740}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      4.400     2.400     1.600 peak   740 spectrum    1 weight  0.10000E+01 volume  0.28042E-03 ppm1      7.897 ppm2      1.097 CV     1
 ASSI {  741}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.700     1.700     1.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.51308E-03 ppm1      7.896 ppm2      0.928 CV     1
 ASSI {  742}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      3.700     1.700     1.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12290E-02 ppm1      7.898 ppm2      0.747 CV     1
 ASSI {  744}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      5.100     3.300     0.900 peak   744 spectrum    1 weight  0.10000E+01 volume  0.25064E-03 ppm1      8.719 ppm2      4.426 CV     1
 ASSI {  749}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.000     1.100     1.100 peak   749 spectrum    1 weight  0.10000E+01 volume  0.24243E-02 ppm1      8.720 ppm2      3.882 CV     1
 OR {  749}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  753}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.26834E-02 ppm1      8.721 ppm2      2.556 CV     1
 ASSI {  758}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.47121E-03 ppm1      7.515 ppm2      8.443 CV     1
 ASSI {  759}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.200     2.200     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.42305E-03 ppm1      7.520 ppm2      8.710 CV     1
 ASSI {  761}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.18315E-02 ppm1      7.515 ppm2      9.025 CV     1
 ASSI {  764}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HE% )
      4.200     2.200     1.800 peak   764 spectrum    1 weight  0.10000E+01 volume  0.39403E-03 ppm1      7.514 ppm2      7.046 CV     1
 ASSI {  771}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.100     2.100     1.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.83019E-03 ppm1      7.515 ppm2      4.112 CV     1
 ASSI {  772}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.500     1.600     1.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.20467E-02 ppm1      7.517 ppm2      2.957 CV     1
 ASSI {  779}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      4.500     2.500     1.500 peak   779 spectrum    1 weight  0.10000E+01 volume  0.68750E-03 ppm1      7.516 ppm2      0.759 CV     1
 OR {  779}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI {  783}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      4.300     2.300     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.28952E-03 ppm1      9.010 ppm2      1.788 CV     1
 ASSI {  784}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      5.100     3.300     0.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.19377E-03 ppm1      9.022 ppm2      2.562 CV     1
 ASSI {  786}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.400     1.400     1.400 peak   786 spectrum    1 weight  0.10000E+01 volume  0.12379E-02 ppm1      9.023 ppm2      2.968 CV     1
 ASSI {  789}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      4.700     2.800     1.300 peak   789 spectrum    1 weight  0.10000E+01 volume  0.32269E-03 ppm1      9.030 ppm2      0.749 CV     1
 ASSI {  792}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.500     1.500 peak   792 spectrum    1 weight  0.10000E+01 volume  0.93112E-03 ppm1      9.023 ppm2      4.337 CV     1
 OR {  792}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  794}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 69   and name HE% )
      4.800     2.900     1.200 peak   794 spectrum    1 weight  0.10000E+01 volume  0.22905E-03 ppm1      9.021 ppm2      7.131 CV     1
 ASSI {  796}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      4.600     2.600     1.400 peak   796 spectrum    1 weight  0.10000E+01 volume  0.44526E-03 ppm1      9.028 ppm2      7.329 CV     1
 ASSI {  803}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.400     2.400     1.600 peak   803 spectrum    1 weight  0.10000E+01 volume  0.36952E-03 ppm1      9.023 ppm2      8.704 CV     1
 ASSI {  822}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.200     2.200     1.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.56444E-03 ppm1      8.443 ppm2      7.700 CV     1
 ASSI {  824}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HD22))
      4.100     2.100     1.900 peak   824 spectrum    1 weight  0.10000E+01 volume  0.37690E-03 ppm1      8.440 ppm2      7.489 CV     1
 ASSI {  826}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.600     3.600     2.400 peak   826 spectrum    1 weight  0.10000E+01 volume  0.73489E-03 ppm1      8.435 ppm2      4.348 CV     1
 OR {  826}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  827}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.700     2.800     1.300 peak   827 spectrum    1 weight  0.10000E+01 volume  0.28606E-03 ppm1      8.440 ppm2      2.970 CV     1
 ASSI {  834}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak   834 spectrum    1 weight  0.10000E+01 volume  0.40647E-03 ppm1      7.864 ppm2      9.026 CV     1
 ASSI {  839}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.30409E-02 ppm1      7.862 ppm2      4.367 CV     1
 ASSI {  840}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HA2 ))
      5.000     3.200     1.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.39065E-03 ppm1      7.861 ppm2      3.735 CV     1
 ASSI {  842}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      3.200     1.300     1.300 peak   842 spectrum    1 weight  0.10000E+01 volume  0.27194E-02 ppm1      7.863 ppm2      2.709 CV     1
 ASSI {  843}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      7.855 ppm2      2.618 CV     1
 ASSI {  848}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HB% )
      3.100     1.200     1.200 peak   848 spectrum    1 weight  0.10000E+01 volume  0.65733E-03 ppm1      7.853 ppm2      1.528 CV     1
 ASSI {  851}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.200     2.200     1.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.51097E-03 ppm1      7.866 ppm2      8.432 CV     1
 ASSI {  857}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.15629E-02 ppm1      7.865 ppm2      4.368 CV     1
 ASSI {  858}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA1 ))
      2.900     1.000     1.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.36286E-02 ppm1      7.866 ppm2      4.283 CV     1
 ASSI {  860}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      5.200     3.400     0.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.22781E-03 ppm1      7.865 ppm2      3.919 CV     1
 ASSI {  864}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      4.500     2.500     1.500 peak   864 spectrum    1 weight  0.10000E+01 volume  0.38090E-03 ppm1      7.866 ppm2      2.620 CV     1
 ASSI {  865}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.300     2.300     1.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.36083E-03 ppm1      7.868 ppm2      2.326 CV     1
 ASSI {  867}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      4.500     2.500     1.500 peak   867 spectrum    1 weight  0.10000E+01 volume  0.59470E-03 ppm1      7.865 ppm2      1.787 CV     1
 ASSI {  869}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 38   and name HB% )
      4.400     2.400     1.600 peak   869 spectrum    1 weight  0.10000E+01 volume  0.39923E-03 ppm1      7.867 ppm2      1.529 CV     1
 ASSI {  870}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      5.000     3.200     1.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.30843E-03 ppm1      7.868 ppm2      0.762 CV     1
 OR {  870}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {  872}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.35910E-03 ppm1      7.720 ppm2      9.025 CV     1
 ASSI {  879}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 69   and name HD% )
      4.500     2.500     1.500 peak   879 spectrum    1 weight  0.10000E+01 volume  0.21661E-03 ppm1      7.725 ppm2      7.030 CV     1
 ASSI {  881}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA1 ))
      3.500     1.500     1.500 peak   881 spectrum    1 weight  0.10000E+01 volume  0.13571E-02 ppm1      7.719 ppm2      4.292 CV     1
 ASSI {  883}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA2 ))
      3.100     1.200     1.200 peak   883 spectrum    1 weight  0.10000E+01 volume  0.15741E-02 ppm1      7.719 ppm2      3.744 CV     1
 ASSI {  885}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.200     2.300     1.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.52405E-03 ppm1      7.722 ppm2      2.970 CV     1
 ASSI {  886}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      5.000     3.100     1.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.44043E-03 ppm1      7.721 ppm2      2.905 CV     1
 ASSI {  888}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   888 spectrum    1 weight  0.10000E+01 volume  0.72984E-03 ppm1      7.722 ppm2      2.284 CV     1
 ASSI {  896}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      3.300     1.300     1.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.26973E-02 ppm1      7.720 ppm2      0.758 CV     1
 OR {  896}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {  900}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.300     1.400     1.400 peak   900 spectrum    1 weight  0.10000E+01 volume  0.91973E-03 ppm1      7.844 ppm2      8.584 CV     1
 ASSI {  902}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.700     1.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.51232E-03 ppm1      7.833 ppm2      8.429 CV     1
 ASSI {  905}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.200     1.300     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.15708E-02 ppm1      7.836 ppm2      3.856 CV     1
 OR {  905}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  906}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.900     1.900     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.89739E-03 ppm1      7.839 ppm2      3.133 CV     1
 ASSI {  908}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      4.000     2.000     2.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.63756E-03 ppm1      7.833 ppm2      1.782 CV     1
 ASSI {  910}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG12))
      4.600     2.600     1.400 peak   910 spectrum    1 weight  0.10000E+01 volume  0.52578E-03 ppm1      7.837 ppm2      1.200 CV     1
 ASSI {  949}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 69   and name HE% )
      5.100     3.200     0.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.18798E-03 ppm1      7.875 ppm2      7.137 CV     1
 ASSI {  956}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      4.100     2.100     1.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.35791E-03 ppm1      7.881 ppm2      3.145 CV     1
 ASSI {  957}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.900     1.900     1.900 peak   957 spectrum    1 weight  0.10000E+01 volume  0.35835E-03 ppm1      7.874 ppm2      2.618 CV     1
 ASSI {  970}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.31706E-02 ppm1      8.590 ppm2      8.444 CV     1
 ASSI {  972}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   972 spectrum    1 weight  0.10000E+01 volume  0.52692E-02 ppm1      8.590 ppm2      7.872 CV     1
 ASSI {  974}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.100     2.100     1.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.38755E-03 ppm1      8.590 ppm2      7.978 CV     1
 ASSI {  976}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak   976 spectrum    1 weight  0.10000E+01 volume  0.57174E-03 ppm1      8.589 ppm2      7.536 CV     1
 ASSI {  980}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      4.600     2.700     1.400 peak   980 spectrum    1 weight  0.10000E+01 volume  0.36237E-03 ppm1      8.590 ppm2      4.043 CV     1
 OR {  980}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  984}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.900     3.000     1.100 peak   984 spectrum    1 weight  0.10000E+01 volume  0.30844E-03 ppm1      8.590 ppm2      3.540 CV     1
 ASSI {  987}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.200     2.200     1.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.95365E-03 ppm1      8.591 ppm2      1.615 CV     1
 ASSI {  988}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      4.700     2.700     1.300 peak   988 spectrum    1 weight  0.10000E+01 volume  0.36893E-03 ppm1      8.591 ppm2      2.085 CV     1
 ASSI {  989}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      5.200     3.300     0.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.10865E-03 ppm1      8.592 ppm2      2.610 CV     1
 ASSI {  990}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     6.000     0.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.53298E-05 ppm1      8.590 ppm2      3.123 CV     1
 ASSI {  992}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.500     1.500 peak   992 spectrum    1 weight  0.10000E+01 volume  0.10135E-02 ppm1      8.591 ppm2      0.909 CV     1
 OR {  992}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  993}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      4.100     2.100     1.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.52367E-03 ppm1      8.588 ppm2      0.753 CV     1
 OR {  993}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1001}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      4.400     2.500     1.600 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.38068E-03 ppm1      8.444 ppm2      4.030 CV     1
 OR { 1001}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 1003}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.000     1.200     1.200 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.19966E-02 ppm1      8.440 ppm2      3.863 CV     1
 OR { 1003}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1005}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.600     1.600     1.600 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.36231E-03 ppm1      8.442 ppm2      3.634 CV     1
 ASSI { 1011}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      4.800     2.900     1.200 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.28860E-03 ppm1      8.438 ppm2      1.820 CV     1
 ASSI { 1014}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      4.500     2.500     1.500 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.24221E-03 ppm1      8.429 ppm2      0.624 CV     1
 ASSI { 1023}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.52389E-03 ppm1      7.533 ppm2      7.870 CV     1
 ASSI { 1036}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.500     1.500     1.500 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.11707E-02 ppm1      7.532 ppm2      2.731 CV     1
 ASSI { 1039}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      4.400     2.400     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.59749E-03 ppm1      7.539 ppm2      2.096 CV     1
 ASSI { 1043}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      4.500     2.500     1.500 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.39227E-03 ppm1      7.531 ppm2      0.760 CV     1
 OR { 1043}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1049}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.22745E-02 ppm1      7.970 ppm2      8.380 CV     1
 ASSI { 1056}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.500     2.500     1.500 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.43499E-03 ppm1      7.971 ppm2      3.869 CV     1
 OR { 1056}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1060}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      5.200     3.400     0.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.18073E-03 ppm1      7.970 ppm2      2.955 CV     1
 ASSI { 1062}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.900     1.900     1.900 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.28382E-03 ppm1      7.982 ppm2      2.727 CV     1
 ASSI { 1064}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      3.300     3.300     2.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.22388E-02 ppm1      7.969 ppm2      2.349 CV     1
 ASSI { 1066}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HG11))
      4.500     2.600     1.500 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.34361E-03 ppm1      7.968 ppm2      1.669 CV     1
 ASSI { 1068}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      4.400     2.500     1.600 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.40753E-03 ppm1      7.971 ppm2      1.513 CV     1
 ASSI { 1075}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      3.800     1.800     1.800 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.15016E-02 ppm1      7.968 ppm2      0.814 CV     1
 ASSI { 1078}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      5.500     3.700     0.500 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.17950E-03 ppm1      7.967 ppm2      0.001 CV     1
 ASSI { 1081}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.500     2.500     1.500 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.23998E-03 ppm1      8.382 ppm2      7.531 CV     1
 ASSI { 1085}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.500     1.500     1.500 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.66510E-03 ppm1      8.379 ppm2      3.774 CV     1
 ASSI { 1087}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      5.300     3.500     0.700 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.21681E-03 ppm1      8.382 ppm2      3.379 CV     1
 ASSI { 1090}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
      4.400     2.400     1.600 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.29625E-03 ppm1      8.380 ppm2      2.558 CV     1
 ASSI { 1094}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      4.900     3.000     1.100 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.45811E-03 ppm1      8.380 ppm2      1.990 CV     1
 ASSI { 1096}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG11))
      2.400     0.700     0.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.30117E-02 ppm1      8.380 ppm2      1.672 CV     1
 ASSI { 1097}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.42064E-02 ppm1      8.380 ppm2      1.513 CV     1
 ASSI { 1100}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      3.200     1.300     1.300 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.14436E-02 ppm1      8.380 ppm2      0.820 CV     1
 ASSI { 1101}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      3.600     1.600     1.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.20915E-02 ppm1      8.380 ppm2      0.608 CV     1
 ASSI { 1111}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.500     2.500     1.500 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.28613E-03 ppm1      7.992 ppm2      7.236 CV     1
 ASSI { 1113}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      2.400     0.700     0.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.43245E-02 ppm1      7.994 ppm2      4.002 CV     1
 ASSI { 1114}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.47140E-03 ppm1      7.995 ppm2      3.787 CV     1
 ASSI { 1118}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.300     1.400     1.400 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      7.995 ppm2      0.006 CV     1
 ASSI { 1119}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.700     0.900     0.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.21952E-02 ppm1      7.996 ppm2      1.513 CV     1
 ASSI { 1122}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.700     1.700     1.700 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.56280E-03 ppm1      8.154 ppm2      8.823 CV     1
 ASSI { 1123}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.500     2.500     1.500 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.27855E-03 ppm1      8.154 ppm2      7.641 CV     1
 ASSI { 1125}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.900     3.000     1.100 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.18591E-03 ppm1      8.147 ppm2      6.941 CV     1
 ASSI { 1137}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.60221E-03 ppm1      8.152 ppm2      2.082 CV     1
 ASSI { 1138}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.500     2.600     1.500 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.36485E-03 ppm1      8.155 ppm2      1.998 CV     1
 OR { 1138}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 1141}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      4.600     2.600     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.36506E-03 ppm1      8.153 ppm2      1.526 CV     1
 ASSI { 1144}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      4.100     2.100     1.900 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.42238E-03 ppm1      8.154 ppm2      0.823 CV     1
 ASSI { 1146}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      4.500     2.600     1.500 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.27187E-03 ppm1      8.151 ppm2     -0.006 CV     1
 ASSI { 1147}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.40362E-02 ppm1      8.152 ppm2      8.350 CV     1
 ASSI { 1148}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.33893E-02 ppm1      8.154 ppm2      7.994 CV     1
 ASSI { 1151}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.700     1.700     1.700 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.83110E-03 ppm1      8.350 ppm2      7.644 CV     1
 ASSI { 1152}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HE  ))
      5.800     4.300     0.200 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.20650E-03 ppm1      8.350 ppm2      7.441 CV     1
 ASSI { 1153}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.600     2.600     1.400 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.27730E-03 ppm1      8.352 ppm2      6.926 CV     1
 ASSI { 1154}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      4.600     2.700     1.400 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.31012E-03 ppm1      8.352 ppm2      4.446 CV     1
 ASSI { 1155}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.200     1.200 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.18159E-02 ppm1      8.351 ppm2      4.326 CV     1
 ASSI { 1158}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      5.700     4.000     0.300 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.23070E-03 ppm1      8.348 ppm2      3.726 CV     1
 ASSI { 1159}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.900     1.900     1.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.44579E-03 ppm1      8.351 ppm2      3.619 CV     1
 ASSI { 1160}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.900     1.900     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.56319E-03 ppm1      8.348 ppm2      3.392 CV     1
 ASSI { 1161}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HD1 ))
      4.600     2.600     1.400 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.63258E-03 ppm1      8.351 ppm2      3.283 CV     1
 ASSI { 1162}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.600     1.600 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.78888E-03 ppm1      8.350 ppm2      2.956 CV     1
 ASSI { 1163}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
      4.400     2.400     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.84210E-03 ppm1      8.351 ppm2      2.876 CV     1
 ASSI { 1168}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.900     1.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.11118E-02 ppm1      8.351 ppm2      0.924 CV     1
 ASSI { 1169}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      3.700     1.700     1.700 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.87596E-03 ppm1      8.351 ppm2      0.820 CV     1
 ASSI { 1175}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.200     2.200     1.800 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.25745E-03 ppm1      8.802 ppm2      4.354 CV     1
 ASSI { 1176}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.500     1.500     1.500 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.67274E-03 ppm1      8.802 ppm2      4.124 CV     1
 ASSI { 1180}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.700     1.700     1.700 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.50195E-03 ppm1      8.809 ppm2      3.405 CV     1
 ASSI { 1182}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.200     2.200     1.800 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.29602E-03 ppm1      8.808 ppm2      2.964 CV     1
 ASSI { 1184}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.300     2.400     1.700 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.69889E-03 ppm1      8.808 ppm2      1.979 CV     1
 OR { 1184}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 1185}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.900     1.100     1.100 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.16809E-02 ppm1      8.810 ppm2      1.912 CV     1
 OR { 1185}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 1187}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.800     2.900     1.200 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.31979E-03 ppm1      8.803 ppm2      1.617 CV     1
 ASSI { 1192}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.200     2.300     1.800 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.32422E-03 ppm1      8.807 ppm2      0.827 CV     1
 ASSI { 1193}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.700     2.800     1.300 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.59228E-03 ppm1      8.807 ppm2      0.439 CV     1
 ASSI { 1201}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.100     2.100     1.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.83602E-03 ppm1      7.646 ppm2      6.922 CV     1
 ASSI { 1203}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.84178E-03 ppm1      7.643 ppm2      4.451 CV     1
 ASSI { 1206}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.500     2.500     1.500 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.59931E-03 ppm1      7.644 ppm2      3.287 CV     1
 OR { 1206}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD1 ))
 ASSI { 1211}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.500     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      7.645 ppm2      1.657 CV     1
 ASSI { 1218}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.800     2.900     1.200 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.32154E-03 ppm1      8.975 ppm2      6.918 CV     1
 ASSI { 1219}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.700     1.800     1.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.49603E-03 ppm1      8.987 ppm2      4.571 CV     1
 ASSI { 1220}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.900     2.000     2.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.49137E-03 ppm1      8.980 ppm2      4.348 CV     1
 ASSI { 1222}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
      5.200     3.400     0.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.27717E-03 ppm1      8.986 ppm2      3.012 CV     1
 ASSI { 1223}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      5.100     3.300     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.22839E-03 ppm1      8.983 ppm2      3.113 CV     1
 ASSI { 1226}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.200     1.300     1.300 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.20762E-02 ppm1      8.983 ppm2      2.447 CV     1
 ASSI { 1227}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.000     1.200     1.200 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.14814E-02 ppm1      8.981 ppm2      2.364 CV     1
 ASSI { 1231}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.600     2.700     1.400 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.54615E-03 ppm1      8.985 ppm2      1.662 CV     1
 ASSI { 1236}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.400     2.400     1.600 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.42997E-03 ppm1      8.584 ppm2      7.647 CV     1
 ASSI { 1238}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.400     0.700     0.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.41643E-02 ppm1      8.589 ppm2      7.248 CV     1
 ASSI { 1239}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.79374E-03 ppm1      8.586 ppm2      6.961 CV     1
 ASSI { 1242}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.700     2.700     1.300 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.36394E-03 ppm1      8.590 ppm2      4.536 CV     1
 ASSI { 1246}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
      3.000     1.100     1.100 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.27910E-02 ppm1      8.588 ppm2      3.004 CV     1
 ASSI { 1248}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.900     1.900     1.900 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.66659E-03 ppm1      8.587 ppm2      2.454 CV     1
 ASSI { 1249}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.900     1.900     1.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.53943E-03 ppm1      8.591 ppm2      2.361 CV     1
 ASSI { 1250}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.700     0.900     0.900 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.31136E-02 ppm1      8.588 ppm2      2.067 CV     1
 OR { 1250}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 1257}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.500     2.500     1.500 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.35760E-03 ppm1      8.587 ppm2      0.816 CV     1
 ASSI { 1260}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.33050E-03 ppm1      7.250 ppm2      8.978 CV     1
 ASSI { 1261}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.500     2.500     1.500 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.38533E-03 ppm1      7.238 ppm2      8.089 CV     1
 ASSI { 1263}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.600     1.600     1.600 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.76150E-03 ppm1      7.246 ppm2      4.714 CV     1
 ASSI { 1265}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.500     1.500 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.72796E-03 ppm1      7.256 ppm2      4.457 CV     1
 ASSI { 1266}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      4.900     3.000     1.100 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.50849E-03 ppm1      7.251 ppm2      3.940 CV     1
 ASSI { 1267}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
      5.100     3.300     0.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.35433E-03 ppm1      7.241 ppm2      3.837 CV     1
 ASSI { 1270}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.300     1.400     1.400 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.14135E-02 ppm1      7.251 ppm2      2.757 CV     1
 ASSI { 1281}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.300     2.300     1.700 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.18466E-03 ppm1      6.957 ppm2      8.994 CV     1
 ASSI { 1284}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.400     2.400     1.600 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.27960E-03 ppm1      6.955 ppm2      4.717 CV     1
 ASSI { 1285}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.900     3.000     1.100 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.26695E-03 ppm1      6.958 ppm2      4.249 CV     1
 ASSI { 1286}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.700     1.800     1.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.50310E-03 ppm1      6.958 ppm2      4.175 CV     1
 ASSI { 1287}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      2.800     0.900     0.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.48412E-02 ppm1      6.957 ppm2      3.936 CV     1
 ASSI { 1290}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
      3.500     3.500     2.500 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.31359E-03 ppm1      6.962 ppm2      3.014 CV     1
 ASSI { 1291}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.28011E-03 ppm1      6.953 ppm2      2.754 CV     1
 ASSI { 1292}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      4.000     2.000     2.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.52579E-03 ppm1      6.958 ppm2      2.491 CV     1
 ASSI { 1293}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG  ))
      4.600     2.600     1.400 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.40578E-03 ppm1      6.957 ppm2      1.715 CV     1
 ASSI { 1296}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      5.900     4.300     0.100 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.15135E-03 ppm1      6.956 ppm2      1.380 CV     1
 ASSI { 1298}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.600     1.600     1.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.26617E-03 ppm1      6.957 ppm2      0.818 CV     1
 ASSI { 1308}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.900     1.900     1.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.50999E-03 ppm1      8.086 ppm2      4.455 CV     1
 ASSI { 1310}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      3.300     1.400     1.400 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.13541E-02 ppm1      8.078 ppm2      3.938 CV     1
 ASSI { 1315}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.500     1.500     1.500 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.92290E-03 ppm1      8.078 ppm2      2.495 CV     1
 ASSI { 1317}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.400     2.400     1.600 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.46660E-03 ppm1      8.078 ppm2      1.898 CV     1
 ASSI { 1318}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HG  ))
      5.400     3.600     0.600 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.21251E-03 ppm1      8.089 ppm2      1.724 CV     1
 ASSI { 1321}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.100     1.200     1.200 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.33222E-02 ppm1      8.079 ppm2      1.374 CV     1
 ASSI { 1322}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.700     0.900     0.900 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.20844E-02 ppm1      8.078 ppm2      0.933 CV     1
 ASSI { 1323}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.300     3.300     2.700 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.44672E-03 ppm1      8.076 ppm2      0.828 CV     1
 ASSI { 1325}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      3.400     1.400     1.400 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.15224E-02 ppm1      8.077 ppm2      0.620 CV     1
 ASSI { 1331}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.200     2.200     1.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.67740E-03 ppm1      8.596 ppm2      8.070 CV     1
 ASSI { 1332}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.900     1.900     1.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.49723E-03 ppm1      8.596 ppm2      7.837 CV     1
 ASSI { 1335}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      3.700     1.700     1.700 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.16518E-02 ppm1      8.601 ppm2      0.620 CV     1
 ASSI { 1337}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.300     1.300     1.300 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.49422E-03 ppm1      8.600 ppm2      0.845 CV     1
 ASSI { 1338}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      3.400     3.400     2.600 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.40582E-03 ppm1      8.592 ppm2      1.485 CV     1
 ASSI { 1339}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.100     1.200     1.200 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.11165E-02 ppm1      8.602 ppm2      1.373 CV     1
 ASSI { 1344}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.37629E-03 ppm1      8.600 ppm2      4.360 CV     1
 ASSI { 1346}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.400     2.400     1.600 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.22949E-03 ppm1      7.813 ppm2      6.923 CV     1
 ASSI { 1348}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.900     1.000     1.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.22416E-02 ppm1      7.822 ppm2      4.378 CV     1
 ASSI { 1350}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.600     3.600     2.400 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.27416E-03 ppm1      7.818 ppm2      4.551 CV     1
 ASSI { 1351}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA2 ))
      5.000     3.100     1.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.16057E-03 ppm1      7.823 ppm2      4.129 CV     1
 ASSI { 1354}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.17194E-03 ppm1      7.826 ppm2      3.094 CV     1
 ASSI { 1355}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      4.400     2.400     1.600 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.53369E-03 ppm1      7.824 ppm2      2.832 CV     1
 ASSI { 1356}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.200     2.200     1.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.67416E-03 ppm1      7.827 ppm2      2.490 CV     1
 ASSI { 1358}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.500     2.600     1.500 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.30221E-03 ppm1      7.819 ppm2      1.904 CV     1
 ASSI { 1359}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.200     1.300     1.300 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.79756E-03 ppm1      7.820 ppm2      1.655 CV     1
 ASSI { 1361}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.500     0.800     0.800 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.34579E-02 ppm1      7.822 ppm2      1.355 CV     1
 ASSI { 1363}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.45395E-03 ppm1      7.823 ppm2      0.924 CV     1
 ASSI { 1366}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.21828E-02 ppm1      8.578 ppm2      7.823 CV     1
 ASSI { 1367}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.200     2.200     1.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.52837E-03 ppm1      8.583 ppm2      4.710 CV     1
 ASSI { 1368}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.44586E-02 ppm1      8.582 ppm2      4.377 CV     1
 ASSI { 1374}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
      4.300     2.300     1.700 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.69947E-03 ppm1      8.583 ppm2      3.811 CV     1
 ASSI { 1375}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
      4.300     2.400     1.700 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.72213E-03 ppm1      8.578 ppm2      3.677 CV     1
 ASSI { 1377}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.200     2.200     1.800 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.26484E-03 ppm1      8.578 ppm2      3.118 CV     1
 ASSI { 1378}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.500     2.500     1.500 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.20874E-03 ppm1      8.577 ppm2      2.695 CV     1
 ASSI { 1380}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     1.100     1.100 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.13110E-02 ppm1      8.578 ppm2      1.355 CV     1
 ASSI { 1381}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD2%)
      4.000     2.000     2.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.77956E-03 ppm1      8.578 ppm2      0.496 CV     1
 ASSI { 1382}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      4.500     2.500     1.500 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.31790E-03 ppm1      8.575 ppm2      0.411 CV     1
 ASSI { 1384}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA1 ))
      3.300     1.400     1.400 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.84262E-03 ppm1      8.751 ppm2      4.274 CV     1
 ASSI { 1389}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.700     2.800     1.300 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.44497E-03 ppm1      8.749 ppm2      3.104 CV     1
 ASSI { 1390}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.100     2.100     1.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.70258E-03 ppm1      8.750 ppm2      2.713 CV     1
 ASSI { 1391}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.100     1.200     1.200 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.22775E-02 ppm1      8.752 ppm2      2.140 CV     1
 ASSI { 1392}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.700     0.900     0.900 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.27831E-02 ppm1      8.752 ppm2      2.025 CV     1
 OR { 1392}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 1398}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.100     2.100     1.900 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.86632E-03 ppm1      7.446 ppm2      8.122 CV     1
 ASSI { 1406}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.600     2.700     1.400 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.17742E-03 ppm1      7.442 ppm2      8.581 CV     1
 ASSI { 1423}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      3.900     1.900     1.900 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.42903E-03 ppm1      7.440 ppm2      2.246 CV     1
 OR { 1423}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI { 1424}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.900     1.900     1.900 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.65817E-03 ppm1      7.442 ppm2      2.138 CV     1
 ASSI { 1425}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.400     1.500     1.500 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.36676E-03 ppm1      7.439 ppm2      2.021 CV     1
 OR { 1425}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 1428}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.400     2.400     1.600 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.39084E-03 ppm1      7.445 ppm2      1.351 CV     1
 ASSI { 1430}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.66309E-03 ppm1      8.122 ppm2      8.485 CV     1
 ASSI { 1432}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.600     2.700     1.400 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.22220E-03 ppm1      8.128 ppm2      7.768 CV     1
 ASSI { 1435}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HD% )
      3.500     1.500     1.500 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.11784E-02 ppm1      8.117 ppm2      7.023 CV     1
 ASSI { 1437}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HE% )
      4.100     2.100     1.900 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.45262E-03 ppm1      8.114 ppm2      6.761 CV     1
 ASSI { 1441}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.100     0.600     0.600 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.10279E-01 ppm1      8.117 ppm2      4.223 CV     1
 ASSI { 1443}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.200     1.200     1.200 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.12860E-02 ppm1      8.117 ppm2      3.667 CV     1
 ASSI { 1444}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.200     2.200     1.800 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.22240E-03 ppm1      8.124 ppm2      3.589 CV     1
 ASSI { 1445}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.19427E-02 ppm1      8.117 ppm2      3.417 CV     1
 ASSI { 1446}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.100     2.100     1.900 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.86094E-03 ppm1      8.118 ppm2      3.116 CV     1
 ASSI { 1447}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.500     2.600     1.500 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.68892E-03 ppm1      8.119 ppm2      2.700 CV     1
 ASSI { 1448}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.100     2.100     1.900 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.47514E-03 ppm1      8.112 ppm2      2.474 CV     1
 ASSI { 1449}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.500     1.500 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.59192E-03 ppm1      8.118 ppm2      2.115 CV     1
 ASSI { 1451}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.600     1.600     1.600 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.58702E-03 ppm1      8.118 ppm2      1.533 CV     1
 ASSI { 1453}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.200     2.200     1.800 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.37697E-03 ppm1      8.120 ppm2      0.688 CV     1
 OR { 1453}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI { 1454}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HD2%)
      4.800     2.800     1.200 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.13312E-03 ppm1      8.115 ppm2      0.511 CV     1
 ASSI { 1456}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HD% )
      3.800     1.800     1.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.52270E-03 ppm1      8.499 ppm2      7.017 CV     1
 ASSI { 1457}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HE% )
      4.200     2.200     1.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.32569E-03 ppm1      8.498 ppm2      6.759 CV     1
 ASSI { 1459}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.000     2.000     2.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.40182E-03 ppm1      8.505 ppm2      3.672 CV     1
 ASSI { 1460}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.000     1.100     1.100 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.11627E-02 ppm1      8.498 ppm2      3.600 CV     1
 ASSI { 1462}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.700     1.700     1.700 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.13396E-02 ppm1      8.497 ppm2      1.359 CV     1
 ASSI { 1463}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG  ))
      3.000     1.200     1.200 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.99535E-03 ppm1      8.498 ppm2      1.159 CV     1
 ASSI { 1464}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.800     1.000     1.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.14259E-02 ppm1      8.502 ppm2      1.037 CV     1
 ASSI { 1465}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HD2%)
      4.500     2.500     1.500 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.23097E-03 ppm1      8.484 ppm2      0.508 CV     1
 ASSI { 1466}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      4.500     2.500     1.500 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.40508E-03 ppm1      8.495 ppm2      0.257 CV     1
 ASSI { 1467}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.000     1.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.12392E-02 ppm1      7.771 ppm2      8.499 CV     1
 ASSI { 1469}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.400     2.400     1.600 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.46568E-03 ppm1      7.773 ppm2      8.207 CV     1
 ASSI { 1474}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      4.400     2.400     1.600 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.35960E-03 ppm1      7.769 ppm2      3.887 CV     1
 ASSI { 1476}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.300     2.300     1.700 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.19999E-03 ppm1      7.770 ppm2      3.673 CV     1
 ASSI { 1478}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.49559E-03 ppm1      7.770 ppm2      3.529 CV     1
 ASSI { 1479}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.100     2.100     1.900 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.30200E-03 ppm1      7.771 ppm2      3.414 CV     1
 ASSI { 1483}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.26314E-02 ppm1      7.771 ppm2      2.860 CV     1
 ASSI { 1488}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HG11))
      3.400     1.500     1.500 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.89532E-03 ppm1      7.770 ppm2      1.177 CV     1
 ASSI { 1489}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.100     1.200     1.200 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.85732E-03 ppm1      7.771 ppm2      1.032 CV     1
 ASSI { 1492}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      4.600     2.700     1.400 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.36441E-03 ppm1      7.774 ppm2      0.747 CV     1
 ASSI { 1493}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      4.600     2.600     1.400 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.38515E-03 ppm1      7.773 ppm2      0.672 CV     1
 OR { 1493}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 1494}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HD2%)
      4.600     2.700     1.400 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.42376E-03 ppm1      7.770 ppm2      0.513 CV     1
 ASSI { 1495}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      4.500     2.500     1.500 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.58304E-03 ppm1      7.774 ppm2      0.250 CV     1
 ASSI { 1498}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.600     1.600     1.600 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.18579E-02 ppm1      6.956 ppm2      0.680 CV     1
 OR { 1498}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI { 1503}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      4.800     2.900     1.200 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.20602E-03 ppm1      6.956 ppm2      1.350 CV     1
 ASSI { 1504}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      5.800     4.200     0.200 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.61074E-04 ppm1      6.957 ppm2      1.027 CV     1
 ASSI { 1505}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      5.000     3.100     1.000 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.37427E-03 ppm1      6.953 ppm2      2.109 CV     1
 ASSI { 1506}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.300     1.400     1.400 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.60799E-03 ppm1      6.964 ppm2      2.960 CV     1
 ASSI { 1508}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.700     1.700     1.700 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.58763E-03 ppm1      6.963 ppm2      3.422 CV     1
 ASSI { 1510}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.500     1.500     1.500 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.33118E-03 ppm1      6.963 ppm2      3.655 CV     1
 ASSI { 1512}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      4.700     2.700     1.300 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.20758E-03 ppm1      6.960 ppm2      4.200 CV     1
 ASSI { 1520}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 66   and name HE% )
      4.400     2.500     1.600 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.26110E-03 ppm1      8.206 ppm2      6.776 CV     1
 ASSI { 1522}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      5.100     3.300     0.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.17357E-03 ppm1      8.215 ppm2      4.236 CV     1
 ASSI { 1526}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.52452E-03 ppm1      8.213 ppm2      3.673 CV     1
 ASSI { 1527}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     1.500     1.500 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.50150E-03 ppm1      8.198 ppm2      3.599 CV     1
 ASSI { 1529}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.57663E-03 ppm1      8.199 ppm2      3.420 CV     1
 ASSI { 1530}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.200     1.300     1.300 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.17117E-02 ppm1      8.206 ppm2      2.469 CV     1
 ASSI { 1531}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.24425E-02 ppm1      8.206 ppm2      2.114 CV     1
 ASSI { 1535}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.100     1.200     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.21317E-02 ppm1      8.207 ppm2      0.682 CV     1
 ASSI { 1544}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.71016E-03 ppm1      7.746 ppm2      6.958 CV     1
 ASSI { 1549}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.400     1.400 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.10783E-02 ppm1      7.745 ppm2      4.386 CV     1
 ASSI { 1551}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.600     1.600     1.600 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.65416E-03 ppm1      7.744 ppm2      3.595 CV     1
 ASSI { 1552}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.900     1.000     1.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.21589E-02 ppm1      7.745 ppm2      2.876 CV     1
 OR { 1552}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1554}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.12989E-02 ppm1      7.744 ppm2      2.119 CV     1
 ASSI { 1555}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      4.600     2.600     1.400 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.34302E-03 ppm1      7.744 ppm2      1.737 CV     1
 ASSI { 1556}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      5.100     3.200     0.900 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.24814E-03 ppm1      7.757 ppm2      1.526 CV     1
 ASSI { 1559}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.600     1.700     1.700 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.25682E-03 ppm1      7.751 ppm2      0.701 CV     1
 ASSI { 1560}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.200     2.200     1.800 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.11070E-03 ppm1      7.732 ppm2      0.680 CV     1
 OR { 1560}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI { 1561}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 68   and name HD2%)
      5.000     3.100     1.000 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.25042E-03 ppm1      7.743 ppm2      0.522 CV     1
 ASSI { 1563}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.800     1.800     1.800 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.72602E-03 ppm1      8.378 ppm2      7.742 CV     1
 ASSI { 1574}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.32095E-02 ppm1      8.377 ppm2      4.341 CV     1
 OR { 1574}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1576}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.400     1.500     1.500 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.74227E-03 ppm1      8.375 ppm2      2.863 CV     1
 OR { 1576}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 1580}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      2.700     0.900     0.900 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.29497E-02 ppm1      8.379 ppm2      1.731 CV     1
 ASSI { 1588}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.42326E-03 ppm1      7.096 ppm2      7.634 CV     1
 ASSI { 1591}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.200     1.800 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.82255E-03 ppm1      7.100 ppm2      4.711 CV     1
 ASSI { 1595}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.200     2.200     1.800 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.55179E-03 ppm1      7.098 ppm2      1.187 CV     1
 ASSI { 1601}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 37   and name HE% )
      4.000     2.000     2.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.54185E-03 ppm1      7.639 ppm2      7.045 CV     1
 ASSI { 1605}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     1.600     1.600 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.86243E-03 ppm1      7.641 ppm2      4.925 CV     1
 ASSI { 1609}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.75347E-03 ppm1      7.638 ppm2      4.256 CV     1
 ASSI { 1610}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      5.000     3.200     1.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.14964E-03 ppm1      7.631 ppm2      4.107 CV     1
 ASSI { 1611}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.400     2.400     1.600 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.54837E-03 ppm1      7.642 ppm2      3.889 CV     1
 OR { 1611}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1612}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.900     3.000     1.100 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.25306E-03 ppm1      7.645 ppm2      3.824 CV     1
 ASSI { 1614}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      4.500     2.500     1.500 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.29876E-03 ppm1      7.642 ppm2      2.562 CV     1
 OR { 1614}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1617}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      4.000     2.000     2.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.56321E-03 ppm1      7.642 ppm2      1.827 CV     1
 ASSI { 1623}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      3.900     1.900     1.900 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.16684E-02 ppm1      7.641 ppm2      1.095 CV     1
 ASSI { 1627}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      3.000     1.100     1.100 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.51256E-02 ppm1      7.640 ppm2      0.744 CV     1
 ASSI { 1635}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     3.600     2.400 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.28943E-03 ppm1      7.807 ppm2      4.241 CV     1
 ASSI { 1639}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      5.200     3.300     0.800 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.16795E-03 ppm1      7.812 ppm2      2.474 CV     1
 ASSI { 1644}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      4.500     2.500     1.500 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.52241E-03 ppm1      7.808 ppm2      1.512 CV     1
 ASSI { 1647}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      4.800     2.800     1.200 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.23962E-03 ppm1      7.802 ppm2      0.737 CV     1
 ASSI { 1662}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.900     1.900     1.900 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.41037E-03 ppm1      8.327 ppm2      3.817 CV     1
 ASSI { 1666}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      2.500     0.800     0.800 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.12201E-02 ppm1      8.702 ppm2      1.198 CV     1
 ASSI { 1667}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      3.400     1.400     1.400 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.10634E-02 ppm1      8.699 ppm2      1.098 CV     1
 OR { 1667}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1670}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.200     1.300     1.300 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.24278E-02 ppm1      8.702 ppm2      2.028 CV     1
 ASSI { 1672}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD1 ))
      3.700     1.700     1.700 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.14511E-02 ppm1      8.701 ppm2      1.630 CV     1
 OR { 1672}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 1694}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.10921E-02 ppm1      8.713 ppm2      3.796 CV     1
 ASSI { 1696}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      4.600     2.700     1.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.43554E-03 ppm1      8.704 ppm2      3.401 CV     1
 OR { 1696}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 1697}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HD1 ))
      4.900     3.000     1.100 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.26132E-03 ppm1      8.713 ppm2      3.324 CV     1
 ASSI { 1699}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.600     0.900     0.900 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.36428E-02 ppm1      8.710 ppm2      2.764 CV     1
 ASSI { 1700}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.700     0.900     0.900 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.28705E-02 ppm1      8.709 ppm2      2.678 CV     1
 ASSI { 1702}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.500     1.500     1.500 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.20618E-02 ppm1      8.708 ppm2      2.015 CV     1
 ASSI { 1704}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.20538E-02 ppm1      8.709 ppm2      1.804 CV     1
 OR { 1704}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI { 1705}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HD1 ))
      3.300     1.400     1.400 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.47900E-03 ppm1      8.717 ppm2      1.637 CV     1
 OR { 1705}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 1711}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.700     2.800     1.300 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.50028E-03 ppm1      8.290 ppm2      2.264 CV     1
 ASSI { 1713}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.39442E-03 ppm1      8.349 ppm2      8.685 CV     1
 ASSI { 1715}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.80313E-03 ppm1      8.345 ppm2      4.295 CV     1
 ASSI { 1728}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      3.400     3.400     2.600 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.39274E-03 ppm1      8.344 ppm2      1.578 CV     1
 ASSI { 1729}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HE% )
      4.600     2.600     1.400 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.54549E-03 ppm1      8.345 ppm2      1.456 CV     1
 ASSI { 1730}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      4.000     2.000     2.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.38290E-03 ppm1      8.346 ppm2      1.127 CV     1
 ASSI { 1735}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.700     1.700 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.75684E-03 ppm1      8.347 ppm2      3.772 CV     1
 ASSI { 1736}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      4.500     2.500     1.500 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.39664E-03 ppm1      8.346 ppm2      4.208 CV     1
 ASSI { 1739}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.25986E-02 ppm1      8.503 ppm2      8.343 CV     1
 ASSI { 1746}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      8.503 ppm2      4.221 CV     1
 ASSI { 1747}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.68387E-03 ppm1      8.504 ppm2      4.098 CV     1
 ASSI { 1748}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HA1 ))
      4.300     2.300     1.700 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.68471E-03 ppm1      8.500 ppm2      3.914 CV     1
 OR { 1748}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HA2 ))
 ASSI { 1750}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.43096E-03 ppm1      8.503 ppm2      3.763 CV     1
 ASSI { 1751}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      4.200     2.200     1.800 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.11568E-03 ppm1      8.508 ppm2      3.399 CV     1
 OR { 1751}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 1752}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      4.200     2.200     1.800 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.43617E-03 ppm1      8.500 ppm2      2.781 CV     1
 ASSI { 1760}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG  ))
      2.600     0.900     0.900 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.33782E-02 ppm1      8.504 ppm2      1.749 CV     1
 ASSI { 1778}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      3.800     1.800     1.800 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.87467E-03 ppm1      7.716 ppm2      0.831 CV     1
 ASSI { 1780}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     0.900     0.900 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.29509E-02 ppm1      8.146 ppm2      8.410 CV     1
 ASSI { 1802}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.19499E-02 ppm1      8.407 ppm2      8.231 CV     1
 ASSI { 1811}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      4.100     2.100     1.900 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.55413E-03 ppm1      8.406 ppm2      3.772 CV     1
 ASSI { 1817}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      3.300     1.400     1.400 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.14080E-02 ppm1      8.223 ppm2      2.685 CV     1
 ASSI { 1833}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      4.200     2.200     1.800 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.34010E-03 ppm1      8.279 ppm2      2.687 CV     1
 ASSI { 1841}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.900     1.100     1.100 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.22981E-02 ppm1      7.989 ppm2      8.268 CV     1
 ASSI { 1848}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.900     1.900     1.900 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.43628E-03 ppm1      7.995 ppm2      4.346 CV     1
 ASSI { 1862}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HD22))
      1.600     0.300     0.600 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.20342E-01 ppm1      6.795 ppm2      7.486 CV     1
 ASSI { 1882}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      3.700     1.700     1.700 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.15481E-02 ppm1      8.324 ppm2      1.108 CV     1
 ASSI { 1887}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 10   and name HD21))
      1.600     0.300     0.600 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.32902E-01 ppm1      7.693 ppm2      6.896 CV     1
 ASSI { 1889}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 10   and name HB1 ))
      3.900     1.900     1.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.10333E-02 ppm1      7.694 ppm2      2.830 CV     1
 ASSI { 1890}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.15484E-02 ppm1      7.693 ppm2      2.742 CV     1
 ASSI { 1898}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.600     1.700     1.700 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.63369E-03 ppm1      7.708 ppm2      8.332 CV     1
 ASSI {    2}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 50   and name HD1%)
      2.400     2.400     3.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.79387E-02 ppm1      0.006 ppm2      0.607 CV     1
 ASSI {    3}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HG11))
      3.500     3.500     2.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.26377E-02 ppm1      0.005 ppm2      1.673 CV     1
 ASSI {    4}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HB  ))
      2.600     2.600     3.400 peak     4 spectrum    1 weight  0.10000E+01 volume  0.41298E-02 ppm1      0.002 ppm2      1.522 CV     1
 ASSI {    6}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 19   and name HG1%)
      2.500     2.500     3.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.49814E-02 ppm1      0.005 ppm2      0.924 CV     1
 ASSI {   12}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      3.000     3.000     3.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      4.053 ppm2      1.505 CV     1
 ASSI {   13}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG1 ))
      3.300     3.300     2.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.31893E-02 ppm1      3.933 ppm2      2.646 CV     1
 ASSI {   14}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     2.700     3.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.53458E-02 ppm1      4.142 ppm2      2.335 CV     1
 OR {   14}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {   15}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 81   and name HB1 ))
      2.600     2.600     3.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.46816E-02 ppm1      7.169 ppm2      3.398 CV     1
 OR {   15}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {   17}
   (  segid "    " and resid 66   and name HE% )
   (  segid "    " and resid 66   and name HD% )
      2.300     2.300     3.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.82844E-02 ppm1      6.763 ppm2      7.021 CV     1
 ASSI {   20}
   (  segid "    " and resid 66   and name HE% )
   (  segid "    " and resid 68   and name HD2%)
      3.400     3.400     2.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.10434E-02 ppm1      6.760 ppm2      0.515 CV     1
 ASSI {   26}
   (  segid "    " and resid 66   and name HD% )
   (( segid "    " and resid 66   and name HB1 ))
      2.700     2.700     3.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.35283E-02 ppm1      7.019 ppm2      3.118 CV     1
 ASSI {   27}
   (  segid "    " and resid 66   and name HD% )
   (( segid "    " and resid 66   and name HB2 ))
      2.800     2.800     3.200 peak    27 spectrum    1 weight  0.10000E+01 volume  0.34537E-02 ppm1      7.020 ppm2      2.704 CV     1
 ASSI {   31}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 54   and name HE% )
      2.400     2.400     3.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.58375E-02 ppm1      6.927 ppm2      7.228 CV     1
 ASSI {   32}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HB1 ))
      3.100     3.100     2.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.13857E-02 ppm1      6.926 ppm2      3.736 CV     1
 ASSI {   33}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 51   and name HA2 ))
      3.300     3.300     2.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.85796E-03 ppm1      6.921 ppm2      3.401 CV     1
 ASSI {   34}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HB2 ))
      3.100     3.100     2.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      6.922 ppm2      3.098 CV     1
 ASSI {   35}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HA  ))
      2.600     2.600     3.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.34703E-02 ppm1      6.930 ppm2      4.454 CV     1
 ASSI {   42}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HZ  ))
      3.400     3.400     2.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.18810E-02 ppm1      6.923 ppm2      6.806 CV     1
 ASSI {   47}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 37   and name HD% )
      2.400     2.400     3.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.46293E-02 ppm1      7.054 ppm2      7.323 CV     1
 ASSI {   48}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 69   and name HN  ))
      4.100     0.000     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.13983E-02 ppm1      7.042 ppm2      7.767 CV     1
 ASSI {   49}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 69   and name HA  ))
      2.900     2.900     3.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.17554E-02 ppm1      7.037 ppm2      4.361 CV     1
 ASSI {   53}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 20   and name HG1%)
      2.900     2.900     3.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.17518E-02 ppm1      7.045 ppm2      0.919 CV     1
 ASSI {   56}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 79   and name HG1 ))
      4.300     4.300     1.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.61360E-03 ppm1      7.043 ppm2      1.814 CV     1
 OR {   56}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {   60}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 54   and name HZ  ))
      2.600     2.600     3.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.32777E-02 ppm1      7.228 ppm2      6.813 CV     1
 ASSI {   66}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 81   and name HA  ))
      3.000     3.000     3.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.25725E-02 ppm1      7.170 ppm2      4.293 CV     1
 ASSI {   69}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 37   and name HA  ))
      2.600     2.600     3.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.36114E-02 ppm1      7.329 ppm2      4.329 CV     1
 ASSI {   71}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 37   and name HB2 ))
      2.800     2.800     3.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.22259E-02 ppm1      7.330 ppm2      2.906 CV     1
 ASSI {  117}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 75   and name HA  ))
      3.100     3.100     2.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.12538E-02 ppm1      7.050 ppm2      3.556 CV     1
 ASSI {  119}
   (  segid "    " and resid 69   and name HE% )
   (  segid "    " and resid 69   and name HD% )
      2.000     0.000     0.200 peak   119 spectrum    1 weight  0.10000E+01 volume  0.23152E-01 ppm1      7.136 ppm2      7.044 CV     1
 ASSI {  120}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 44   and name HA  ))
      3.500     3.500     2.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.83783E-03 ppm1      7.044 ppm2      3.792 CV     1
 ASSI {  124}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 82   and name HE% )
      3.200     3.200     2.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.23477E-02 ppm1      7.165 ppm2      1.452 CV     1
 ASSI {  133}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 82   and name HG1 ))
      3.700     3.700     2.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.13662E-02 ppm1      7.173 ppm2      2.788 CV     1
 ASSI {  135}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 82   and name HA  ))
      3.500     3.500     2.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.91714E-03 ppm1      7.166 ppm2      4.094 CV     1
 ASSI {  143}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 62   and name HD1%)
      3.600     3.600     2.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.10826E-02 ppm1      7.167 ppm2      0.427 CV     1
 ASSI {  145}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 78   and name HD2%)
      3.200     3.200     2.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.14072E-02 ppm1      7.170 ppm2      1.123 CV     1
 ASSI {  149}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 82   and name HG2 ))
      3.400     3.400     2.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.86897E-03 ppm1      7.172 ppm2      2.499 CV     1
 ASSI {  150}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 78   and name HA  ))
      4.400     4.400     1.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.43152E-03 ppm1      7.178 ppm2      4.683 CV     1
 ASSI {  152}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 70   and name HN  ))
      3.000     3.000     3.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.58050E-02 ppm1      7.047 ppm2      6.948 CV     1
 ASSI {  156}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      2.000     2.000     4.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.99353E-02 ppm1      3.120 ppm2      2.703 CV     1
 ASSI {  157}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     3.300     2.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.24072E-02 ppm1      3.119 ppm2      4.223 CV     1
 ASSI {  158}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      3.200     3.200     2.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.10755E-02 ppm1      2.704 ppm2      4.225 CV     1
 ASSI {  162}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.000     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.36045E-02 ppm1      3.121 ppm2      7.443 CV     1
 ASSI {  163}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 66   and name HE% )
      4.400     0.000     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.90043E-03 ppm1      3.123 ppm2      6.761 CV     1
 ASSI {  164}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 66   and name HE% )
      4.300     0.000     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.94414E-03 ppm1      2.711 ppm2      6.765 CV     1
 ASSI {  184}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     2.700     3.300 peak   184 spectrum    1 weight  0.10000E+01 volume  0.43676E-02 ppm1      3.397 ppm2      4.286 CV     1
 OR {  184}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  198}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      3.100     0.000     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.31065E-02 ppm1      2.946 ppm2      4.377 CV     1
 ASSI {  199}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     2.700     3.300 peak   199 spectrum    1 weight  0.10000E+01 volume  0.30144E-02 ppm1      2.859 ppm2      4.374 CV     1
 ASSI {  200}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 69   and name HD% )
      3.000     3.000     3.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.15918E-02 ppm1      2.950 ppm2      7.034 CV     1
 ASSI {  201}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD% )
      3.300     3.300     2.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.16829E-02 ppm1      2.865 ppm2      7.039 CV     1
 ASSI {  218}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      2.900     2.900     3.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.70821E-03 ppm1      3.746 ppm2      3.096 CV     1
 ASSI {  220}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.800     3.800     2.200 peak   220 spectrum    1 weight  0.10000E+01 volume  0.64472E-03 ppm1      3.101 ppm2      4.459 CV     1
 ASSI {  227}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     3.000     3.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.18100E-02 ppm1      2.975 ppm2      4.326 CV     1
 ASSI {  230}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 37   and name HD% )
      3.100     3.100     2.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.24201E-02 ppm1      2.974 ppm2      7.328 CV     1
 ASSI {  234}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.000     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.34238E-02 ppm1      0.918 ppm2      3.448 CV     1
 ASSI {  237}
   (( segid "    " and resid 42   and name HG12))
   (  segid "    " and resid 42   and name HG2%)
      3.000     3.000     3.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.55898E-02 ppm1      1.206 ppm2      0.761 CV     1
 ASSI {  244}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HA  ))
      4.100     4.100     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.79536E-03 ppm1      1.673 ppm2      4.282 CV     1
 OR {  244}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  245}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HE2 ))
      3.100     3.100     2.900 peak   245 spectrum    1 weight  0.10000E+01 volume  0.18606E-02 ppm1      1.667 ppm2      2.974 CV     1
 OR {  245}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HE2 ))
 OR {  245}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HE1 ))
 OR {  245}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HE1 ))
 ASSI {  247}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.600     4.600     1.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.58799E-03 ppm1      2.742 ppm2      4.471 CV     1
 ASSI {  248}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.500     4.500     1.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.77134E-03 ppm1      2.829 ppm2      4.470 CV     1
 ASSI {  249}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     2.700     3.300 peak   249 spectrum    1 weight  0.10000E+01 volume  0.41971E-02 ppm1      2.824 ppm2      4.362 CV     1
 ASSI {  250}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     2.800     3.200 peak   250 spectrum    1 weight  0.10000E+01 volume  0.43653E-02 ppm1      2.745 ppm2      4.361 CV     1
 ASSI {  252}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD21))
      3.500     3.500     2.500 peak   252 spectrum    1 weight  0.10000E+01 volume  0.73638E-03 ppm1      2.825 ppm2      6.898 CV     1
 ASSI {  253}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD21))
      3.800     3.800     2.200 peak   253 spectrum    1 weight  0.10000E+01 volume  0.65940E-03 ppm1      2.741 ppm2      6.895 CV     1
 ASSI {  264}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     2.900     3.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      1.656 ppm2      4.562 CV     1
 ASSI {  265}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.700     0.000     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.16669E-02 ppm1      1.619 ppm2      4.029 CV     1
 ASSI {  266}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.700     0.000     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.12089E-02 ppm1      1.857 ppm2      4.020 CV     1
 ASSI {  267}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.100     3.100     2.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.22892E-02 ppm1      1.624 ppm2      3.197 CV     1
 ASSI {  268}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HD2 ))
      2.700     2.700     3.300 peak   268 spectrum    1 weight  0.10000E+01 volume  0.20828E-02 ppm1      1.862 ppm2      3.195 CV     1
 ASSI {  271}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.800     3.800     2.200 peak   271 spectrum    1 weight  0.10000E+01 volume  0.12261E-02 ppm1      1.901 ppm2      4.556 CV     1
 ASSI {  272}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     3.600     2.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.13295E-02 ppm1      1.862 ppm2      8.173 CV     1
 ASSI {  298}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG2 ))
      3.100     3.100     2.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.24520E-02 ppm1      4.452 ppm2      2.536 CV     1
 ASSI {  299}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB1 ))
      2.900     2.900     3.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.34895E-02 ppm1      4.452 ppm2      2.040 CV     1
 ASSI {  300}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.000     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.85058E-02 ppm1      4.454 ppm2      8.459 CV     1
 ASSI {  308}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HA  ))
      3.700     3.700     2.300 peak   308 spectrum    1 weight  0.10000E+01 volume  0.83330E-03 ppm1      2.553 ppm2      4.455 CV     1
 OR {  308}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  312}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HB1 ))
      5.000     5.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.15544E-03 ppm1      2.577 ppm2      2.045 CV     1
 ASSI {  323}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.100     3.100     2.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.34370E-02 ppm1      4.280 ppm2      1.816 CV     1
 ASSI {  326}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HG2 ))
      2.700     2.700     3.300 peak   326 spectrum    1 weight  0.10000E+01 volume  0.45797E-02 ppm1      1.825 ppm2      1.443 CV     1
 OR {  326}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {  327}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG1 ))
      2.800     2.800     3.200 peak   327 spectrum    1 weight  0.10000E+01 volume  0.39280E-02 ppm1      1.753 ppm2      1.441 CV     1
 OR {  327}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  329}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     0.000     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.17726E-02 ppm1      1.756 ppm2      4.281 CV     1
 ASSI {  332}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HG1 ))
      1.900     0.000     0.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.33793E-01 ppm1      1.672 ppm2      1.443 CV     1
 OR {  332}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  332}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HG1 ))
 OR {  332}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  335}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     3.300     2.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.14824E-02 ppm1      1.436 ppm2      4.279 CV     1
 OR {  335}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  336}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      4.200     0.000     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.96084E-03 ppm1      1.444 ppm2      8.282 CV     1
 OR {  336}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  340}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     0.000     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.31883E-02 ppm1      4.000 ppm2      7.769 CV     1
 ASSI {  346}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.000     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.43131E-02 ppm1      3.999 ppm2      4.344 CV     1
 ASSI {  352}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      2.600     2.600     3.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.67358E-02 ppm1      4.000 ppm2      0.848 CV     1
 ASSI {  353}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG1%)
      2.700     2.700     3.300 peak   353 spectrum    1 weight  0.10000E+01 volume  0.56027E-02 ppm1      4.000 ppm2      0.710 CV     1
 ASSI {  357}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     0.000     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.35011E-02 ppm1      2.097 ppm2      4.004 CV     1
 ASSI {  367}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG1%)
      2.400     2.400     3.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.69151E-02 ppm1      2.097 ppm2      0.709 CV     1
 ASSI {  369}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG2%)
      2.300     2.300     3.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.93164E-02 ppm1      2.097 ppm2      0.854 CV     1
 ASSI {  375}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.300     0.000     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.10023E-01 ppm1      3.866 ppm2      8.110 CV     1
 OR {  375}
   (( segid "    " and resid 7    and name HA1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  387}
   (( segid "    " and resid 7    and name HA2 ))
   (  segid "    " and resid 8    and name HG1%)
      3.800     3.800     2.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.14456E-02 ppm1      3.869 ppm2      0.739 CV     1
 OR {  387}
   (( segid "    " and resid 7    and name HA1 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  388}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     2.600     3.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.51579E-02 ppm1      4.226 ppm2      3.874 CV     1
 OR {  388}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  389}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      4.800     4.800     1.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.37717E-03 ppm1      4.228 ppm2      7.848 CV     1
 ASSI {  391}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
      3.000     0.000     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      4.227 ppm2      1.026 CV     1
 ASSI {  393}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.800     2.800     3.200 peak   393 spectrum    1 weight  0.10000E+01 volume  0.83783E-02 ppm1      4.242 ppm2      0.868 CV     1
 ASSI {  394}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      2.800     2.800     3.200 peak   394 spectrum    1 weight  0.10000E+01 volume  0.38588E-02 ppm1      4.240 ppm2      0.741 CV     1
 ASSI {  397}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.800     3.800     2.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.16501E-02 ppm1      4.239 ppm2      1.876 CV     1
 ASSI {  400}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     6.000     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.50096E-04 ppm1      4.228 ppm2      7.538 CV     1
 ASSI {  403}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.500     0.000     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.99975E-03 ppm1      4.225 ppm2      8.427 CV     1
 ASSI {  404}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     3.000     3.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.19341E-02 ppm1      4.226 ppm2      8.594 CV     1
 ASSI {  406}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.200     3.200     2.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.23411E-02 ppm1      2.128 ppm2      1.469 CV     1
 OR {  406}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  409}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG1%)
      2.400     2.400     3.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.65972E-02 ppm1      2.127 ppm2      0.738 CV     1
 ASSI {  411}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.000     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.64188E-02 ppm1      2.128 ppm2      4.241 CV     1
 ASSI {  414}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.000     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.34616E-02 ppm1      2.127 ppm2      8.049 CV     1
 ASSI {  417}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
      2.100     0.000     0.100 peak   417 spectrum    1 weight  0.10000E+01 volume  0.13519E-01 ppm1      0.869 ppm2      2.115 CV     1
 ASSI {  421}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      2.600     2.600     3.400 peak   421 spectrum    1 weight  0.10000E+01 volume  0.61187E-02 ppm1      1.156 ppm2      7.954 CV     1
 ASSI {  424}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HB  ))
      2.200     2.200     3.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.17464E-01 ppm1      1.156 ppm2      4.456 CV     1
 OR {  424}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  425}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.000     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.50341E-02 ppm1      0.927 ppm2      3.351 CV     1
 ASSI {  426}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 20   and name HB  ))
      2.200     0.000     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.84793E-02 ppm1      0.928 ppm2      2.398 CV     1
 ASSI {  429}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 82   and name HB1 ))
      2.900     2.900     3.100 peak   429 spectrum    1 weight  0.10000E+01 volume  0.15562E-02 ppm1      0.742 ppm2      2.259 CV     1
 ASSI {  431}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 12   and name HB1 ))
      3.200     3.200     2.800 peak   431 spectrum    1 weight  0.10000E+01 volume  0.25610E-02 ppm1      0.741 ppm2      1.898 CV     1
 ASSI {  435}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.700     3.700     2.300 peak   435 spectrum    1 weight  0.10000E+01 volume  0.11082E-02 ppm1      0.739 ppm2      4.098 CV     1
 ASSI {  438}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      4.000     0.000     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.18523E-02 ppm1      0.740 ppm2      8.051 CV     1
 ASSI {  439}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.000     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.61244E-02 ppm1      0.742 ppm2      7.960 CV     1
 ASSI {  443}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 82   and name HG1 ))
      5.100     5.100     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.50134E-03 ppm1      0.743 ppm2      2.783 CV     1
 ASSI {  445}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.500     0.000     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.85317E-02 ppm1      4.249 ppm2      0.926 CV     1
 ASSI {  446}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.600     2.600     3.400 peak   446 spectrum    1 weight  0.10000E+01 volume  0.49746E-02 ppm1      4.252 ppm2      2.563 CV     1
 OR {  446}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  447}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      2.400     0.000     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.61844E-02 ppm1      4.248 ppm2      2.462 CV     1
 ASSI {  448}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.500     2.500     3.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.52994E-02 ppm1      4.200 ppm2      1.893 CV     1
 ASSI {  449}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD1 ))
      2.900     2.900     3.100 peak   449 spectrum    1 weight  0.10000E+01 volume  0.32916E-02 ppm1      4.197 ppm2      1.778 CV     1
 ASSI {  450}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HB% )
      2.500     0.000     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.58298E-02 ppm1      4.200 ppm2      1.624 CV     1
 ASSI {  451}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.900     2.900     3.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.26158E-02 ppm1      4.200 ppm2      1.472 CV     1
 OR {  451}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  456}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     0.000     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.24114E-02 ppm1      4.247 ppm2      8.721 CV     1
 ASSI {  457}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      5.000     0.000     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.38428E-03 ppm1      4.254 ppm2      3.559 CV     1
 ASSI {  459}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     3.100     2.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.18650E-02 ppm1      4.253 ppm2      7.906 CV     1
 ASSI {  466}
   (( segid "    " and resid 86   and name HA2 ))
   (  segid "    " and resid 88   and name HB% )
      4.200     4.200     1.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.51901E-03 ppm1      3.950 ppm2      1.393 CV     1
 OR {  466}
   (( segid "    " and resid 86   and name HA1 ))
   (  segid "    " and resid 88   and name HB% )
 ASSI {  476}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 69   and name HE% )
      3.500     3.500     2.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.15626E-02 ppm1      4.026 ppm2      7.139 CV     1
 OR {  476}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 69   and name HE% )
 ASSI {  480}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG1 ))
      3.000     3.000     3.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.61625E-02 ppm1      4.370 ppm2      2.715 CV     1
 ASSI {  481}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG2 ))
      2.500     0.000     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.60255E-02 ppm1      4.376 ppm2      2.624 CV     1
 ASSI {  483}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.400     2.400     3.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.89059E-02 ppm1      4.375 ppm2      2.319 CV     1
 ASSI {  488}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.000     3.000     3.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.21596E-02 ppm1      4.363 ppm2      1.440 CV     1
 ASSI {  489}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
      4.000     4.000     2.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.13646E-02 ppm1      4.360 ppm2      1.723 CV     1
 ASSI {  492}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      3.200     0.000     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.26812E-02 ppm1      4.414 ppm2      1.180 CV     1
 ASSI {  493}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HD1%)
      2.600     2.600     3.400 peak   493 spectrum    1 weight  0.10000E+01 volume  0.10093E-01 ppm1      4.222 ppm2      0.815 CV     1
 ASSI {  494}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.000     0.000     0.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.38432E-02 ppm1      4.221 ppm2      1.518 CV     1
 ASSI {  495}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.800     2.800     3.200 peak   495 spectrum    1 weight  0.10000E+01 volume  0.27992E-02 ppm1      4.219 ppm2      1.890 CV     1
 ASSI {  496}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG  ))
      2.900     2.900     3.100 peak   496 spectrum    1 weight  0.10000E+01 volume  0.29513E-02 ppm1      4.228 ppm2      1.742 CV     1
 ASSI {  497}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.900     3.900     2.100 peak   497 spectrum    1 weight  0.10000E+01 volume  0.14558E-02 ppm1      4.412 ppm2      2.913 CV     1
 ASSI {  498}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HB  ))
      2.500     2.500     3.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.44266E-02 ppm1      4.413 ppm2      2.395 CV     1
 ASSI {  499}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.400     2.400     3.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.65720E-02 ppm1      4.409 ppm2      2.271 CV     1
 ASSI {  512}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.700     0.000     0.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.31874E-01 ppm1      2.746 ppm2      2.828 CV     1
 ASSI {  520}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
      4.500     4.500     1.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.41632E-03 ppm1      2.824 ppm2      0.879 CV     1
 ASSI {  521}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 13   and name HB1 ))
      4.400     4.400     1.600 peak   521 spectrum    1 weight  0.10000E+01 volume  0.38663E-03 ppm1      2.820 ppm2      1.955 CV     1
 ASSI {  522}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 13   and name HB1 ))
      4.700     4.700     1.300 peak   522 spectrum    1 weight  0.10000E+01 volume  0.28602E-03 ppm1      2.757 ppm2      1.945 CV     1
 ASSI {  523}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      5.100     5.100     0.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.14531E-03 ppm1      2.827 ppm2      4.145 CV     1
 ASSI {  524}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      4.800     4.800     1.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.20251E-03 ppm1      2.755 ppm2      4.148 CV     1
 ASSI {  525}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      5.400     5.400     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.15543E-03 ppm1      2.817 ppm2      8.186 CV     1
 ASSI {  526}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      5.200     5.200     0.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.17865E-03 ppm1      2.734 ppm2      8.194 CV     1
 ASSI {  529}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      3.200     3.200     2.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.18244E-02 ppm1      4.084 ppm2      1.750 CV     1
 ASSI {  531}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG12))
      3.000     0.000     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.21378E-02 ppm1      4.087 ppm2      1.113 CV     1
 ASSI {  532}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.500     2.500     3.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.64458E-02 ppm1      4.084 ppm2      0.943 CV     1
 ASSI {  533}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.000     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.69494E-02 ppm1      4.141 ppm2      1.996 CV     1
 ASSI {  537}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.200     0.000     0.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.11366E-01 ppm1      4.087 ppm2      8.577 CV     1
 ASSI {  540}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     0.000     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.22708E-02 ppm1      4.084 ppm2      7.863 CV     1
 ASSI {  541}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     0.000     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.27800E-02 ppm1      4.137 ppm2      8.347 CV     1
 ASSI {  542}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 50   and name HD1%)
      3.200     3.200     2.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.17198E-02 ppm1      2.041 ppm2      0.619 CV     1
 ASSI {  545}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 50   and name HG12))
      3.600     3.600     2.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.10700E-02 ppm1      2.039 ppm2      0.435 CV     1
 ASSI {  555}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     2.800     3.200 peak   555 spectrum    1 weight  0.10000E+01 volume  0.42938E-02 ppm1      2.147 ppm2      4.356 CV     1
 ASSI {  556}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     2.800     3.200 peak   556 spectrum    1 weight  0.10000E+01 volume  0.30079E-02 ppm1      2.041 ppm2      4.369 CV     1
 ASSI {  557}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.900     2.900     3.100 peak   557 spectrum    1 weight  0.10000E+01 volume  0.34593E-02 ppm1      1.926 ppm2      4.354 CV     1
 ASSI {  558}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.200     3.200     2.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.25600E-02 ppm1      1.978 ppm2      4.406 CV     1
 ASSI {  559}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     2.900     3.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.43467E-02 ppm1      2.065 ppm2      4.144 CV     1
 ASSI {  569}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.900     0.000     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.11787E-02 ppm1      1.988 ppm2      7.892 CV     1
 ASSI {  573}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     3.600     2.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.97754E-03 ppm1      2.862 ppm2      8.332 CV     1
 OR {  573}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  575}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 37   and name HE% )
      3.200     3.200     2.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      2.875 ppm2      7.055 CV     1
 OR {  575}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 37   and name HE% )
 ASSI {  576}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     2.800     3.200 peak   576 spectrum    1 weight  0.10000E+01 volume  0.34705E-02 ppm1      2.862 ppm2      4.706 CV     1
 OR {  576}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI {  579}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
      3.300     3.300     2.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.23611E-02 ppm1      2.270 ppm2      2.910 CV     1
 ASSI {  580}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
      2.700     2.700     3.300 peak   580 spectrum    1 weight  0.10000E+01 volume  0.23033E-02 ppm1      1.980 ppm2      2.912 CV     1
 ASSI {  581}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.900     0.000     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.22644E-02 ppm1      2.269 ppm2      2.649 CV     1
 ASSI {  582}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
      3.400     3.400     2.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.18113E-02 ppm1      1.979 ppm2      2.651 CV     1
 ASSI {  584}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
      2.900     2.900     3.100 peak   584 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      2.040 ppm2      2.550 CV     1
 ASSI {  586}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 78   and name HD2%)
      3.600     3.600     2.400 peak   586 spectrum    1 weight  0.10000E+01 volume  0.18729E-02 ppm1      2.863 ppm2      1.119 CV     1
 OR {  586}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 78   and name HD2%)
 ASSI {  587}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 68   and name HD2%)
      3.500     3.500     2.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.13535E-02 ppm1      2.868 ppm2      0.522 CV     1
 OR {  587}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 68   and name HD2%)
 ASSI {  588}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 50   and name HD1%)
      3.200     3.200     2.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.12091E-02 ppm1      1.634 ppm2      0.609 CV     1
 ASSI {  589}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.100     3.100     2.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.14582E-02 ppm1      2.273 ppm2      0.908 CV     1
 ASSI {  590}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG1 ))
      3.000     3.000     3.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.17994E-02 ppm1      1.633 ppm2      2.552 CV     1
 ASSI {  591}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      2.100     2.100     3.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.65118E-02 ppm1      1.632 ppm2      2.027 CV     1
 ASSI {  592}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     3.400     2.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.14719E-02 ppm1      1.634 ppm2      4.379 CV     1
 ASSI {  593}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      4.600     4.600     1.400 peak   593 spectrum    1 weight  0.10000E+01 volume  0.45380E-03 ppm1      2.871 ppm2      4.327 CV     1
 OR {  593}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  594}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.600     3.600     2.400 peak   594 spectrum    1 weight  0.10000E+01 volume  0.48895E-03 ppm1      2.868 ppm2      3.588 CV     1
 OR {  594}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  602}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HG1 ))
      1.900     1.900     4.100 peak   602 spectrum    1 weight  0.10000E+01 volume  0.14122E-01 ppm1      2.327 ppm2      2.644 CV     1
 ASSI {  607}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     2.800     3.200 peak   607 spectrum    1 weight  0.10000E+01 volume  0.33602E-02 ppm1      2.329 ppm2      3.937 CV     1
 ASSI {  619}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 26   and name HG2%)
      3.300     3.300     2.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.34276E-02 ppm1      2.241 ppm2      0.947 CV     1
 ASSI {  620}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 27   and name HB% )
      2.700     2.700     3.300 peak   620 spectrum    1 weight  0.10000E+01 volume  0.44419E-02 ppm1      2.239 ppm2      1.428 CV     1
 OR {  620}
   (( segid "    " and resid 30   and name HG2 ))
   (  segid "    " and resid 27   and name HB% )
 ASSI {  627}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     2.500     3.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.84890E-02 ppm1      2.241 ppm2      4.295 CV     1
 OR {  627}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  628}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     0.000     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.40678E-02 ppm1      2.241 ppm2      7.830 CV     1
 OR {  628}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  630}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     3.900     2.100 peak   630 spectrum    1 weight  0.10000E+01 volume  0.96200E-03 ppm1      2.238 ppm2      7.359 CV     1
 OR {  630}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  631}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HE2 ))
      4.300     0.000     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.79898E-03 ppm1      4.199 ppm2      2.976 CV     1
 OR {  631}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HE1 ))
 ASSI {  633}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     0.000     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.26327E-02 ppm1      4.197 ppm2      7.895 CV     1
 ASSI {  635}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     0.000     0.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.18391E-02 ppm1      4.197 ppm2      7.505 CV     1
 ASSI {  636}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 58   and name HD2%)
      4.100     4.100     1.900 peak   636 spectrum    1 weight  0.10000E+01 volume  0.65221E-03 ppm1      4.197 ppm2      0.897 CV     1
 ASSI {  637}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      4.600     0.000     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.59659E-03 ppm1      4.191 ppm2      0.873 CV     1
 ASSI {  641}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     2.700     3.300 peak   641 spectrum    1 weight  0.10000E+01 volume  0.39291E-02 ppm1      1.902 ppm2      4.206 CV     1
 OR {  641}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  642}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     3.200     2.800 peak   642 spectrum    1 weight  0.10000E+01 volume  0.14779E-02 ppm1      1.898 ppm2      8.169 CV     1
 OR {  642}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  643}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.300     3.300     2.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.13130E-02 ppm1      1.901 ppm2      8.053 CV     1
 OR {  643}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  649}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     2.900     3.100 peak   649 spectrum    1 weight  0.10000E+01 volume  0.33620E-02 ppm1      1.858 ppm2      4.208 CV     1
 ASSI {  652}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
      3.100     3.100     2.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.16694E-02 ppm1      1.898 ppm2      0.864 CV     1
 OR {  652}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  655}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 8    and name HG1%)
      4.000     4.000     2.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.93546E-03 ppm1      1.861 ppm2      0.745 CV     1
 OR {  655}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  656}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
      3.900     3.900     2.100 peak   656 spectrum    1 weight  0.10000E+01 volume  0.16400E-02 ppm1      1.903 ppm2      2.579 CV     1
 OR {  656}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  660}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     0.000     0.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.49209E-02 ppm1      1.484 ppm2      1.874 CV     1
 OR {  660}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  671}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD1 ))
      2.600     2.600     3.400 peak   671 spectrum    1 weight  0.10000E+01 volume  0.44005E-02 ppm1      1.648 ppm2      3.290 CV     1
 OR {  671}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD2 ))
 ASSI {  675}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE1 ))
      3.000     3.000     3.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.23234E-02 ppm1      1.779 ppm2      2.975 CV     1
 OR {  675}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE2 ))
 ASSI {  677}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HD2 ))
      1.800     0.000     0.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.14414E-01 ppm1      1.779 ppm2      1.649 CV     1
 ASSI {  679}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     2.500     3.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.59723E-02 ppm1      1.781 ppm2      1.472 CV     1
 OR {  679}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  680}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.500     2.500     3.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.70394E-02 ppm1      1.655 ppm2      1.471 CV     1
 OR {  680}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  681}
   (( segid "    " and resid 12   and name HD1 ))
   (  segid "    " and resid 60   and name HD2%)
      3.500     0.000     0.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.93190E-03 ppm1      1.784 ppm2      0.624 CV     1
 ASSI {  686}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     2.500     3.500 peak   686 spectrum    1 weight  0.10000E+01 volume  0.73230E-02 ppm1      1.648 ppm2      1.998 CV     1
 OR {  686}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  687}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.000     2.000     4.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.97100E-02 ppm1      1.953 ppm2      1.439 CV     1
 ASSI {  688}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      2.600     2.600     3.400 peak   688 spectrum    1 weight  0.10000E+01 volume  0.63235E-02 ppm1      1.968 ppm2      0.872 CV     1
 ASSI {  690}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     0.000     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.24285E-02 ppm1      1.959 ppm2      3.878 CV     1
 ASSI {  694}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     0.000     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.16191E-02 ppm1      1.954 ppm2      8.023 CV     1
 ASSI {  699}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.000     2.000     4.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.96900E-02 ppm1      1.984 ppm2      1.267 CV     1
 ASSI {  706}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
      3.000     3.000     3.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.17048E-02 ppm1      3.887 ppm2      1.721 CV     1
 ASSI {  711}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 16   and name HG1%)
      2.700     2.700     3.300 peak   711 spectrum    1 weight  0.10000E+01 volume  0.25932E-02 ppm1      3.878 ppm2      0.644 CV     1
 ASSI {  712}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      3.800     3.800     2.200 peak   712 spectrum    1 weight  0.10000E+01 volume  0.11884E-02 ppm1      0.843 ppm2      4.376 CV     1
 ASSI {  713}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HA  ))
      4.000     0.000     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.71618E-03 ppm1      0.846 ppm2      4.224 CV     1
 ASSI {  714}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      2.500     2.500     3.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.63747E-02 ppm1      0.860 ppm2      3.877 CV     1
 ASSI {  715}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      2.800     0.000     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.34747E-02 ppm1      0.861 ppm2      3.765 CV     1
 ASSI {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
      4.700     4.700     1.300 peak   717 spectrum    1 weight  0.10000E+01 volume  0.47630E-03 ppm1      0.863 ppm2      4.088 CV     1
 ASSI {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HG  ))
      2.400     2.400     3.600 peak   719 spectrum    1 weight  0.10000E+01 volume  0.80572E-02 ppm1      0.861 ppm2      1.722 CV     1
 ASSI {  720}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HB2 ))
      2.500     2.500     3.500 peak   720 spectrum    1 weight  0.10000E+01 volume  0.43561E-02 ppm1      0.864 ppm2      1.435 CV     1
 ASSI {  726}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HB1 ))
      2.600     2.600     3.400 peak   726 spectrum    1 weight  0.10000E+01 volume  0.44043E-02 ppm1      0.842 ppm2      1.885 CV     1
 ASSI {  728}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HG  ))
      2.800     2.800     3.200 peak   728 spectrum    1 weight  0.10000E+01 volume  0.33779E-02 ppm1      0.847 ppm2      1.775 CV     1
 ASSI {  731}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG  ))
      4.000     4.000     2.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.41378E-03 ppm1      0.903 ppm2      1.637 CV     1
 OR {  731}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  734}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HB2 ))
      3.000     3.000     3.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.43790E-02 ppm1      0.842 ppm2      1.522 CV     1
 ASSI {  738}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     0.000     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.40627E-02 ppm1      4.343 ppm2      8.021 CV     1
 ASSI {  740}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     0.000     0.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.38984E-02 ppm1      4.374 ppm2      8.708 CV     1
 ASSI {  741}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     0.000     0.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.21795E-02 ppm1      4.455 ppm2      8.805 CV     1
 ASSI {  743}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.400     0.000     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.12703E-02 ppm1      4.376 ppm2      8.290 CV     1
 ASSI {  749}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.900     3.900     2.100 peak   749 spectrum    1 weight  0.10000E+01 volume  0.21722E-02 ppm1      4.373 ppm2      1.889 CV     1
 ASSI {  751}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 58   and name HG  ))
      3.900     3.900     2.100 peak   751 spectrum    1 weight  0.10000E+01 volume  0.16946E-02 ppm1      4.454 ppm2      1.720 CV     1
 ASSI {  753}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.700     2.700     3.300 peak   753 spectrum    1 weight  0.10000E+01 volume  0.18973E-02 ppm1      4.455 ppm2      1.455 CV     1
 ASSI {  756}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.000     4.000     2.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.20359E-02 ppm1      4.343 ppm2      2.269 CV     1
 ASSI {  757}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.700     3.700     2.300 peak   757 spectrum    1 weight  0.10000E+01 volume  0.26970E-02 ppm1      4.448 ppm2      2.490 CV     1
 ASSI {  760}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      3.300     3.300     2.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.18193E-02 ppm1      4.451 ppm2      0.445 CV     1
 ASSI {  764}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      1.800     0.000     0.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.24089E-01 ppm1      2.825 ppm2      2.491 CV     1
 ASSI {  768}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     2.900     3.100 peak   768 spectrum    1 weight  0.10000E+01 volume  0.22577E-02 ppm1      2.672 ppm2      4.137 CV     1
 ASSI {  769}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      2.600     2.600     3.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.62318E-02 ppm1      2.828 ppm2      4.446 CV     1
 OR {  769}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  770}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     2.900     3.100 peak   770 spectrum    1 weight  0.10000E+01 volume  0.30349E-02 ppm1      2.831 ppm2      4.705 CV     1
 ASSI {  771}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     2.900     3.100 peak   771 spectrum    1 weight  0.10000E+01 volume  0.35647E-02 ppm1      2.496 ppm2      4.706 CV     1
 ASSI {  773}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
      3.300     3.300     2.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11104E-02 ppm1      2.770 ppm2      8.291 CV     1
 ASSI {  774}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      4.000     4.000     2.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.15491E-02 ppm1      2.686 ppm2      8.286 CV     1
 ASSI {  778}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     0.000     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.19300E-02 ppm1      2.672 ppm2      7.510 CV     1
 ASSI {  782}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HB1 ))
      1.900     1.900     4.100 peak   782 spectrum    1 weight  0.10000E+01 volume  0.15346E-01 ppm1      2.761 ppm2      3.004 CV     1
 ASSI {  784}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     0.000     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.10969E-02 ppm1      4.324 ppm2      8.929 CV     1
 ASSI {  785}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     0.000     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.96181E-02 ppm1      4.107 ppm2      8.721 CV     1
 ASSI {  788}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     0.000     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.34229E-02 ppm1      4.291 ppm2      8.289 CV     1
 ASSI {  789}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.300     0.000     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.90024E-02 ppm1      4.242 ppm2      8.048 CV     1
 ASSI {  790}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     0.000     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.24831E-02 ppm1      4.106 ppm2      7.898 CV     1
 ASSI {  794}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.800     2.800     3.200 peak   794 spectrum    1 weight  0.10000E+01 volume  0.36724E-02 ppm1      4.219 ppm2      3.665 CV     1
 ASSI {  795}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     3.000     3.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.22475E-02 ppm1      4.219 ppm2      3.420 CV     1
 ASSI {  796}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.400     2.400     3.600 peak   796 spectrum    1 weight  0.10000E+01 volume  0.66154E-02 ppm1      4.218 ppm2      8.501 CV     1
 ASSI {  797}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.100     3.100     2.900 peak   797 spectrum    1 weight  0.10000E+01 volume  0.17853E-02 ppm1      4.223 ppm2      8.122 CV     1
 ASSI {  798}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 66   and name HD% )
      3.400     3.400     2.600 peak   798 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      4.213 ppm2      7.028 CV     1
 ASSI {  803}
   (  segid "    " and resid 15   and name HB% )
   (  segid "    " and resid 16   and name HG1%)
      4.000     4.000     2.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.14223E-02 ppm1      1.615 ppm2      0.643 CV     1
 ASSI {  804}
   (  segid "    " and resid 15   and name HB% )
   (  segid "    " and resid 58   and name HD2%)
      2.800     2.800     3.200 peak   804 spectrum    1 weight  0.10000E+01 volume  0.33652E-02 ppm1      1.619 ppm2      0.918 CV     1
 ASSI {  809}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 14   and name HB1 ))
      4.000     0.000     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.60068E-03 ppm1      1.622 ppm2      2.788 CV     1
 ASSI {  815}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      4.000     4.000     2.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.91597E-03 ppm1      1.618 ppm2      3.853 CV     1
 ASSI {  816}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.200     0.000     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.12494E-01 ppm1      1.620 ppm2      4.129 CV     1
 ASSI {  821}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.000     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.91364E-02 ppm1      1.619 ppm2      7.503 CV     1
 ASSI {  828}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 82   and name HE% )
      3.800     3.800     2.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.28856E-03 ppm1      2.491 ppm2      1.471 CV     1
 ASSI {  830}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     3.000     3.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.13257E-02 ppm1      2.510 ppm2      3.451 CV     1
 ASSI {  831}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
      3.200     3.200     2.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.37123E-02 ppm1      2.507 ppm2      3.876 CV     1
 ASSI {  834}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 78   and name HD2%)
      4.800     4.800     1.200 peak   834 spectrum    1 weight  0.10000E+01 volume  0.46706E-03 ppm1      2.509 ppm2      1.103 CV     1
 OR {  834}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  835}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      4.800     4.800     1.200 peak   835 spectrum    1 weight  0.10000E+01 volume  0.38246E-03 ppm1      2.502 ppm2      7.508 CV     1
 ASSI {  836}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 54   and name HE% )
      4.200     4.200     1.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.44165E-03 ppm1      2.511 ppm2      7.237 CV     1
 ASSI {  838}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HG2 ))
      1.900     1.900     4.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.12892E-01 ppm1      2.914 ppm2      2.648 CV     1
 ASSI {  841}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 31   and name HB1 ))
      3.200     3.200     2.800 peak   841 spectrum    1 weight  0.10000E+01 volume  0.34222E-02 ppm1      2.918 ppm2      1.993 CV     1
 ASSI {  844}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      3.400     3.400     2.600 peak   844 spectrum    1 weight  0.10000E+01 volume  0.12702E-02 ppm1      2.654 ppm2      3.639 CV     1
 ASSI {  845}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     3.100     2.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.13782E-02 ppm1      2.653 ppm2      3.452 CV     1
 ASSI {  849}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     3.500     2.500 peak   849 spectrum    1 weight  0.10000E+01 volume  0.51500E-03 ppm1      2.702 ppm2      3.878 CV     1
 OR {  849}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  853}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.000     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.49807E-02 ppm1      2.648 ppm2      7.953 CV     1
 ASSI {  854}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 54   and name HE% )
      2.700     0.000     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.29258E-02 ppm1      2.649 ppm2      7.229 CV     1
 ASSI {  855}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 54   and name HD% )
      3.800     0.000     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.74369E-03 ppm1      2.650 ppm2      6.926 CV     1
 ASSI {  865}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG1%)
      2.300     2.300     3.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.75321E-02 ppm1      2.647 ppm2      0.921 CV     1
 ASSI {  869}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 16   and name HG1%)
      3.700     3.700     2.300 peak   869 spectrum    1 weight  0.10000E+01 volume  0.68394E-03 ppm1      2.638 ppm2      0.638 CV     1
 ASSI {  871}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     0.000     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.31890E-02 ppm1      2.031 ppm2      4.297 CV     1
 ASSI {  873}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     2.800     3.200 peak   873 spectrum    1 weight  0.10000E+01 volume  0.28721E-02 ppm1      2.041 ppm2      4.027 CV     1
 OR {  873}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  875}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HD1 ))
      3.400     3.400     2.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.10148E-02 ppm1      2.052 ppm2      3.268 CV     1
 OR {  875}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HD1 ))
 ASSI {  876}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.300     3.300     2.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      2.048 ppm2      3.192 CV     1
 OR {  876}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {  880}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.000     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.31337E-02 ppm1      2.031 ppm2      7.834 CV     1
 ASSI {  894}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     3.100     2.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.35105E-02 ppm1      2.040 ppm2      3.930 CV     1
 ASSI {  896}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HG1 ))
      3.000     3.000     3.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.31913E-02 ppm1      2.202 ppm2      2.644 CV     1
 ASSI {  897}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     2.900     3.100 peak   897 spectrum    1 weight  0.10000E+01 volume  0.24674E-02 ppm1      2.196 ppm2      3.933 CV     1
 ASSI {  898}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      4.400     4.400     1.600 peak   898 spectrum    1 weight  0.10000E+01 volume  0.12076E-02 ppm1      2.204 ppm2      3.643 CV     1
 ASSI {  901}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.700     0.000     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.22783E-02 ppm1      2.239 ppm2      7.830 CV     1
 ASSI {  902}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 26   and name HG2%)
      3.200     3.200     2.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.33435E-02 ppm1      2.241 ppm2      0.950 CV     1
 ASSI {  904}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 27   and name HB% )
      4.600     4.600     1.400 peak   904 spectrum    1 weight  0.10000E+01 volume  0.12429E-02 ppm1      2.240 ppm2      1.430 CV     1
 ASSI {  905}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 27   and name HB% )
      3.200     3.200     2.800 peak   905 spectrum    1 weight  0.10000E+01 volume  0.13385E-02 ppm1      2.031 ppm2      1.433 CV     1
 ASSI {  906}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      1.800     0.000     0.400 peak   906 spectrum    1 weight  0.10000E+01 volume  0.17733E-01 ppm1      2.239 ppm2      2.026 CV     1
 ASSI {  907}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.600     0.000     0.600 peak   907 spectrum    1 weight  0.10000E+01 volume  0.37112E-01 ppm1      2.031 ppm2      2.232 CV     1
 OR {  907}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG1 ))
 OR {  907}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  911}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
      2.900     0.000     0.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.29711E-02 ppm1      4.028 ppm2      0.909 CV     1
 ASSI {  913}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     3.500     2.500 peak   913 spectrum    1 weight  0.10000E+01 volume  0.95378E-03 ppm1      4.027 ppm2      8.639 CV     1
 ASSI {  914}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     0.000     0.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.33236E-02 ppm1      4.029 ppm2      8.180 CV     1
 ASSI {  921}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HG1 ))
      2.900     2.900     3.100 peak   921 spectrum    1 weight  0.10000E+01 volume  0.49970E-02 ppm1      3.315 ppm2      1.756 CV     1
 ASSI {  923}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HG2 ))
      2.500     2.500     3.500 peak   923 spectrum    1 weight  0.10000E+01 volume  0.35648E-02 ppm1      3.316 ppm2      1.511 CV     1
 ASSI {  924}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 19   and name HG1%)
      2.700     2.700     3.300 peak   924 spectrum    1 weight  0.10000E+01 volume  0.25981E-02 ppm1      3.283 ppm2      0.928 CV     1
 ASSI {  928}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HD2 ))
      1.900     1.900     4.100 peak   928 spectrum    1 weight  0.10000E+01 volume  0.95352E-02 ppm1      3.287 ppm2      2.875 CV     1
 ASSI {  933}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 15   and name HA  ))
      4.300     4.300     1.700 peak   933 spectrum    1 weight  0.10000E+01 volume  0.76156E-03 ppm1      3.196 ppm2      4.131 CV     1
 ASSI {  934}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HA  ))
      5.400     5.400     0.600 peak   934 spectrum    1 weight  0.10000E+01 volume  0.34430E-03 ppm1      3.203 ppm2      4.025 CV     1
 ASSI {  935}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HA  ))
      4.700     0.000     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.71980E-03 ppm1      3.270 ppm2      4.019 CV     1
 ASSI {  941}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 19   and name HN  ))
      4.800     4.800     1.200 peak   941 spectrum    1 weight  0.10000E+01 volume  0.60777E-03 ppm1      3.284 ppm2      7.932 CV     1
 ASSI {  953}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     3.400     2.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.17704E-02 ppm1      3.312 ppm2      3.818 CV     1
 ASSI {  954}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     2.800     3.200 peak   954 spectrum    1 weight  0.10000E+01 volume  0.18228E-02 ppm1      3.081 ppm2      3.814 CV     1
 ASSI {  955}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      4.900     4.900     1.100 peak   955 spectrum    1 weight  0.10000E+01 volume  0.38319E-03 ppm1      3.295 ppm2      4.555 CV     1
 OR {  955}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  959}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.600     4.600     1.400 peak   959 spectrum    1 weight  0.10000E+01 volume  0.62636E-03 ppm1      1.893 ppm2      8.973 CV     1
 ASSI {  960}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 15   and name HA  ))
      4.700     4.700     1.300 peak   960 spectrum    1 weight  0.10000E+01 volume  0.54444E-03 ppm1      1.894 ppm2      4.149 CV     1
 ASSI {  962}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     3.000     3.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.12880E-02 ppm1      1.621 ppm2      4.130 CV     1
 ASSI {  967}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 19   and name HG2%)
      2.400     2.400     3.600 peak   967 spectrum    1 weight  0.10000E+01 volume  0.87745E-02 ppm1      0.928 ppm2      1.200 CV     1
 ASSI {  972}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 53   and name HB2 ))
      3.000     3.000     3.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.25457E-02 ppm1      1.199 ppm2      1.903 CV     1
 OR {  972}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  976}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
      3.400     3.400     2.600 peak   976 spectrum    1 weight  0.10000E+01 volume  0.40526E-02 ppm1      0.929 ppm2      1.919 CV     1
 ASSI {  977}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 50   and name HG11))
      3.900     3.900     2.100 peak   977 spectrum    1 weight  0.10000E+01 volume  0.16508E-02 ppm1      0.931 ppm2      1.665 CV     1
 ASSI {  980}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
      2.300     2.300     3.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.74356E-02 ppm1      1.181 ppm2      2.400 CV     1
 ASSI {  981}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 50   and name HA  ))
      2.800     0.000     0.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.28043E-02 ppm1      0.926 ppm2      2.965 CV     1
 ASSI {  982}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 53   and name HD2 ))
      3.200     3.200     2.800 peak   982 spectrum    1 weight  0.10000E+01 volume  0.26530E-02 ppm1      0.929 ppm2      2.872 CV     1
 ASSI {  984}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 23   and name HG1 ))
      3.400     0.000     0.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.12937E-02 ppm1      0.924 ppm2      2.549 CV     1
 ASSI {  985}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.000     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.80261E-02 ppm1      1.199 ppm2      3.645 CV     1
 ASSI {  987}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.500     2.500     3.500 peak   987 spectrum    1 weight  0.10000E+01 volume  0.61308E-02 ppm1      1.182 ppm2      3.350 CV     1
 ASSI {  988}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      2.700     2.700     3.300 peak   988 spectrum    1 weight  0.10000E+01 volume  0.41155E-02 ppm1      0.929 ppm2      3.644 CV     1
 ASSI {  992}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 62   and name HA  ))
      2.600     2.600     3.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.76894E-02 ppm1      0.501 ppm2      4.378 CV     1
 ASSI {  993}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 60   and name HA  ))
      2.400     2.400     3.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.84845E-02 ppm1      0.622 ppm2      4.260 CV     1
 ASSI {  995}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      2.900     2.900     3.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.60382E-02 ppm1      0.646 ppm2      3.448 CV     1
 ASSI {  997}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 57   and name HB1 ))
      3.000     3.000     3.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.17414E-02 ppm1      0.825 ppm2      2.994 CV     1
 ASSI {  998}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 12   and name HE1 ))
      3.100     3.100     2.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.21366E-02 ppm1      0.624 ppm2      2.976 CV     1
 OR {  998}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 12   and name HE2 ))
 ASSI {  999}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 57   and name HB2 ))
      3.700     3.700     2.300 peak   999 spectrum    1 weight  0.10000E+01 volume  0.15897E-02 ppm1      0.826 ppm2      2.759 CV     1
 ASSI { 1000}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 16   and name HB  ))
      2.200     0.000     0.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.80708E-02 ppm1      0.645 ppm2      2.502 CV     1
 ASSI { 1001}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB1 ))
      3.500     3.500     2.500 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.24081E-02 ppm1      0.825 ppm2      2.497 CV     1
 ASSI { 1002}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 50   and name HD1%)
      2.600     0.000     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.54726E-02 ppm1      1.179 ppm2      0.615 CV     1
 ASSI { 1003}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 16   and name HG1%)
      3.500     3.500     2.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.28902E-02 ppm1      0.923 ppm2      0.645 CV     1
 ASSI { 1005}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 50   and name HD1%)
      3.900     3.900     2.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.19279E-02 ppm1      0.921 ppm2      0.597 CV     1
 ASSI { 1006}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 51   and name HA1 ))
      2.000     2.000     4.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.10501E-01 ppm1      3.397 ppm2      4.002 CV     1
 ASSI { 1008}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB  ))
      3.100     0.000     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.18871E-02 ppm1      3.351 ppm2      2.406 CV     1
 ASSI { 1014}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      4.900     4.900     1.100 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.29353E-03 ppm1      3.343 ppm2      2.959 CV     1
 ASSI { 1020}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 50   and name HD1%)
      2.800     0.000     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.31218E-02 ppm1      3.350 ppm2      0.609 CV     1
 ASSI { 1021}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 50   and name HG12))
      3.400     3.400     2.600 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.81439E-03 ppm1      3.359 ppm2      0.441 CV     1
 ASSI { 1022}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 68   and name HD1%)
      4.800     4.800     1.200 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.35848E-03 ppm1      3.347 ppm2      0.260 CV     1
 ASSI { 1023}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 50   and name HG2%)
      3.400     3.400     2.600 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.12322E-02 ppm1      3.352 ppm2      0.000 CV     1
 ASSI { 1033}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 68   and name HD1%)
      3.500     3.500     2.500 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.14054E-02 ppm1      1.180 ppm2      0.253 CV     1
 ASSI { 1037}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      2.200     2.200     3.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.17829E-01 ppm1      1.198 ppm2      4.350 CV     1
 OR { 1037}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1039}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.000     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.48239E-02 ppm1      1.198 ppm2      8.376 CV     1
 ASSI { 1042}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 37   and name HE% )
      3.400     3.400     2.600 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.22093E-02 ppm1      1.189 ppm2      7.068 CV     1
 ASSI { 1043}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      3.700     3.700     2.300 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.12387E-02 ppm1      1.190 ppm2      6.939 CV     1
 ASSI { 1047}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.600     2.600     3.400 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.58924E-02 ppm1      4.326 ppm2      4.082 CV     1
 ASSI { 1053}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB1 ))
      2.000     2.000     4.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.10845E-01 ppm1      3.965 ppm2      4.073 CV     1
 ASSI { 1055}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     2.800     3.200 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.33101E-02 ppm1      3.965 ppm2      4.324 CV     1
 ASSI { 1057}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.300     0.000     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      4.073 ppm2      8.925 CV     1
 ASSI { 1058}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     3.400     2.600 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.15967E-02 ppm1      3.966 ppm2      8.924 CV     1
 ASSI { 1066}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      2.900     2.900     3.100 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.33762E-02 ppm1      3.966 ppm2      0.880 CV     1
 ASSI { 1067}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     0.000     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.33749E-02 ppm1      3.936 ppm2      8.922 CV     1
 ASSI { 1068}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     0.000     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.11490E-02 ppm1      3.941 ppm2      8.176 CV     1
 ASSI { 1069}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.100     4.100     1.900 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.37719E-03 ppm1      3.933 ppm2      7.910 CV     1
 ASSI { 1077}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     2.900     3.100 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.22622E-02 ppm1      2.656 ppm2      2.037 CV     1
 ASSI { 1083}
   (( segid "    " and resid 23   and name HG1 ))
   (  segid "    " and resid 49   and name HG1%)
      3.300     3.300     2.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.10341E-02 ppm1      2.555 ppm2      0.815 CV     1
 ASSI { 1084}
   (( segid "    " and resid 23   and name HG2 ))
   (  segid "    " and resid 19   and name HG1%)
      3.200     0.000     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.14140E-02 ppm1      1.973 ppm2      0.922 CV     1
 ASSI { 1085}
   (( segid "    " and resid 23   and name HG2 ))
   (  segid "    " and resid 49   and name HG1%)
      3.600     0.000     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.15275E-02 ppm1      1.974 ppm2      0.825 CV     1
 ASSI { 1087}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     2.700     3.300 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.32174E-02 ppm1      1.976 ppm2      1.640 CV     1
 ASSI { 1088}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.000     2.000     4.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.82093E-02 ppm1      2.556 ppm2      1.978 CV     1
 ASSI { 1090}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     3.800     2.200 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.12020E-02 ppm1      2.555 ppm2      4.372 CV     1
 ASSI { 1091}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.500     3.500     2.500 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.97547E-03 ppm1      1.978 ppm2      4.377 CV     1
 ASSI { 1095}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
      3.600     3.600     2.400 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.64340E-03 ppm1      2.563 ppm2      2.961 CV     1
 ASSI { 1097}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.400     3.400     2.600 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.75373E-03 ppm1      2.558 ppm2      2.875 CV     1
 ASSI { 1098}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.000     4.000     2.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      1.972 ppm2      2.954 CV     1
 ASSI { 1099}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.400     0.000     0.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.75949E-03 ppm1      1.966 ppm2      2.877 CV     1
 ASSI { 1100}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 53   and name HD1 ))
      4.200     0.000     0.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.48067E-03 ppm1      1.972 ppm2      3.293 CV     1
 ASSI { 1103}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 19   and name HA  ))
      4.900     4.900     1.100 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.25108E-03 ppm1      2.547 ppm2      3.654 CV     1
 ASSI { 1105}
   (( segid "    " and resid 23   and name HG1 ))
   (  segid "    " and resid 50   and name HD1%)
      4.400     4.400     1.600 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.70983E-03 ppm1      2.556 ppm2      0.605 CV     1
 ASSI { 1107}
   (( segid "    " and resid 23   and name HG2 ))
   (  segid "    " and resid 50   and name HD1%)
      4.900     4.900     1.100 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.72110E-03 ppm1      1.976 ppm2      0.608 CV     1
 ASSI { 1108}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 50   and name HG12))
      3.900     3.900     2.100 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.93170E-03 ppm1      1.968 ppm2      0.448 CV     1
 ASSI { 1109}
   (( segid "    " and resid 23   and name HG1 ))
   (  segid "    " and resid 50   and name HG2%)
      5.100     5.100     0.900 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.28266E-03 ppm1      2.576 ppm2      0.003 CV     1
 ASSI { 1110}
   (( segid "    " and resid 23   and name HG2 ))
   (  segid "    " and resid 50   and name HG2%)
      5.200     5.200     0.800 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.32671E-03 ppm1      1.969 ppm2      0.007 CV     1
 ASSI { 1111}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.400     0.000     0.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.74311E-02 ppm1      4.401 ppm2      3.970 CV     1
 ASSI { 1113}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.600     2.600     3.400 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.54947E-02 ppm1      4.401 ppm2      3.757 CV     1
 ASSI { 1115}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      2.900     2.900     3.100 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.24140E-02 ppm1      4.401 ppm2      0.767 CV     1
 ASSI { 1117}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.400     4.400     1.600 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.24243E-03 ppm1      4.406 ppm2      2.032 CV     1
 ASSI { 1118}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      5.600     5.600     0.400 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.31653E-03 ppm1      4.400 ppm2      1.787 CV     1
 ASSI { 1119}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.500     0.000     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.32287E-03 ppm1      4.401 ppm2      1.637 CV     1
 ASSI { 1123}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     0.000     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.11384E-02 ppm1      4.404 ppm2      7.893 CV     1
 ASSI { 1124}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 26   and name HG11))
      3.100     3.100     2.900 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.10238E-02 ppm1      3.968 ppm2      1.441 CV     1
 ASSI { 1125}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 26   and name HG12))
      4.500     4.500     1.500 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.86094E-03 ppm1      3.975 ppm2      1.119 CV     1
 ASSI { 1126}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 26   and name HB  ))
      4.500     4.500     1.500 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.38794E-03 ppm1      3.973 ppm2      1.754 CV     1
 ASSI { 1132}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      3.300     0.000     0.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.18073E-02 ppm1      3.778 ppm2      0.890 CV     1
 ASSI { 1133}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 26   and name HG12))
      4.200     4.200     1.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.15875E-02 ppm1      3.777 ppm2      1.129 CV     1
 ASSI { 1136}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
      4.200     4.200     1.800 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.13780E-02 ppm1      3.752 ppm2      0.941 CV     1
 ASSI { 1142}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HB2 ))
      2.000     2.000     4.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.92711E-02 ppm1      3.978 ppm2      3.760 CV     1
 ASSI { 1147}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     0.000     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.39168E-02 ppm1      4.157 ppm2      7.897 CV     1
 ASSI { 1148}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.000     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.49316E-02 ppm1      3.834 ppm2      7.901 CV     1
 ASSI { 1149}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 25   and name HA2 ))
      1.900     1.900     4.100 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.16354E-01 ppm1      4.157 ppm2      3.832 CV     1
 ASSI { 1151}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 72   and name HB2 ))
      3.000     3.000     3.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.24950E-02 ppm1      1.732 ppm2      2.861 CV     1
 OR { 1151}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 1154}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 77   and name HA  ))
      2.300     2.300     3.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.10679E-01 ppm1      1.732 ppm2      4.333 CV     1
 ASSI { 1155}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 72   and name HA  ))
      2.800     2.800     3.200 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.45957E-02 ppm1      1.731 ppm2      4.712 CV     1
 ASSI { 1158}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.000     0.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.40280E-02 ppm1      1.732 ppm2      8.338 CV     1
 ASSI { 1162}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 74   and name HA  ))
      3.600     3.600     2.400 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.40139E-03 ppm1      1.730 ppm2      5.031 CV     1
 ASSI { 1167}
   (( segid "    " and resid 26   and name HG11))
   (( segid "    " and resid 26   and name HG12))
      1.800     0.000     0.400 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.16265E-01 ppm1      1.433 ppm2      1.122 CV     1
 ASSI { 1170}
   (( segid "    " and resid 26   and name HG11))
   (( segid "    " and resid 26   and name HB  ))
      2.800     2.800     3.200 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.22313E-02 ppm1      1.449 ppm2      1.749 CV     1
 ASSI { 1171}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB2 ))
      2.600     2.600     3.400 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.40352E-02 ppm1      1.098 ppm2      1.718 CV     1
 ASSI { 1172}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB1 ))
      3.000     3.000     3.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.28385E-02 ppm1      1.093 ppm2      2.582 CV     1
 ASSI { 1174}
   (( segid "    " and resid 26   and name HG11))
   (( segid "    " and resid 26   and name HA  ))
      3.200     0.000     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.18696E-02 ppm1      1.445 ppm2      4.089 CV     1
 ASSI { 1178}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.900     0.000     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.92860E-03 ppm1      1.091 ppm2      3.561 CV     1
 ASSI { 1179}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      4.100     4.100     1.900 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.68038E-03 ppm1      1.092 ppm2      4.694 CV     1
 ASSI { 1181}
   (( segid "    " and resid 26   and name HG11))
   (( segid "    " and resid 26   and name HN  ))
      2.600     2.600     3.400 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.19539E-02 ppm1      1.447 ppm2      7.862 CV     1
 ASSI { 1182}
   (( segid "    " and resid 26   and name HG12))
   (( segid "    " and resid 26   and name HN  ))
      4.200     4.200     1.800 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.15403E-02 ppm1      1.120 ppm2      7.864 CV     1
 ASSI { 1183}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.700     3.700     2.300 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.88354E-03 ppm1      1.092 ppm2      7.225 CV     1
 ASSI { 1184}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 81   and name HD% )
      4.100     4.100     1.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.63057E-03 ppm1      1.091 ppm2      7.183 CV     1
 ASSI { 1185}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 37   and name HE% )
      2.700     2.700     3.300 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.36802E-02 ppm1      1.094 ppm2      7.042 CV     1
 ASSI { 1186}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
      3.100     3.100     2.900 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.14753E-02 ppm1      1.092 ppm2      6.815 CV     1
 ASSI { 1188}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.300     4.300     1.700 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.89525E-03 ppm1      1.093 ppm2      8.325 CV     1
 ASSI { 1189}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      2.200     0.000     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.12233E-01 ppm1      4.038 ppm2      1.428 CV     1
 ASSI { 1193}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      4.000     4.000     2.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.25273E-02 ppm1      4.036 ppm2      1.638 CV     1
 OR { 1193}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 1198}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      5.500     5.500     0.500 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.46285E-03 ppm1      4.038 ppm2      2.234 CV     1
 OR { 1198}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 1198}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1199}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     2.700     3.300 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.37609E-02 ppm1      4.037 ppm2      8.580 CV     1
 ASSI { 1200}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.200     0.000     0.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.13398E-01 ppm1      4.037 ppm2      8.479 CV     1
 ASSI { 1201}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     0.000     0.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.10249E-02 ppm1      4.040 ppm2      9.178 CV     1
 ASSI { 1205}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 30   and name HG1 ))
      2.500     2.500     3.500 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.72084E-02 ppm1      1.430 ppm2      2.244 CV     1
 OR { 1205}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1205}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1207}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 26   and name HG2%)
      3.600     3.600     2.400 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.27268E-02 ppm1      1.429 ppm2      0.939 CV     1
 ASSI { 1208}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 30   and name HA  ))
      5.000     5.000     1.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.51306E-03 ppm1      1.432 ppm2      4.300 CV     1
 ASSI { 1209}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 28   and name HA  ))
      4.000     4.000     2.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.99522E-03 ppm1      1.431 ppm2      3.842 CV     1
 ASSI { 1212}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.000     0.000     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.33711E-02 ppm1      3.819 ppm2      1.893 CV     1
 ASSI { 1213}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.400     0.000     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.55059E-02 ppm1      3.818 ppm2      1.783 CV     1
 ASSI { 1215}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG2 ))
      3.500     3.500     2.500 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.22122E-02 ppm1      3.818 ppm2      1.508 CV     1
 ASSI { 1218}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.000     4.000     2.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.11929E-02 ppm1      3.818 ppm2      2.563 CV     1
 OR { 1218}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 1219}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     0.000     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.25585E-02 ppm1      3.820 ppm2      8.872 CV     1
 ASSI { 1221}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 50   and name HD1%)
      3.200     3.200     2.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.17087E-02 ppm1      3.874 ppm2      0.611 CV     1
 OR { 1221}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 50   and name HD1%)
 ASSI { 1226}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      2.900     2.900     3.100 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.30879E-02 ppm1      3.871 ppm2      0.748 CV     1
 OR { 1226}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1227}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.800     2.800     3.200 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.35685E-02 ppm1      1.644 ppm2      3.851 CV     1
 OR { 1227}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1228}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      2.500     2.500     3.500 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.92601E-02 ppm1      1.645 ppm2      0.908 CV     1
 OR { 1228}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1230}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     2.600     3.400 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.44734E-02 ppm1      1.644 ppm2      8.481 CV     1
 OR { 1230}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1231}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     3.000     3.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.23536E-02 ppm1      1.645 ppm2      9.168 CV     1
 OR { 1231}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1235}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      2.900     2.900     3.100 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.29934E-02 ppm1      0.938 ppm2      4.025 CV     1
 ASSI { 1236}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HA  ))
      3.000     3.000     3.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.40488E-02 ppm1      0.939 ppm2      3.851 CV     1
 ASSI { 1250}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HG1 ))
      3.600     3.600     2.400 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.16703E-02 ppm1      0.897 ppm2      2.289 CV     1
 OR { 1250}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HG2 ))
 ASSI { 1258}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG  ))
      2.800     2.800     3.200 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.39871E-02 ppm1      0.933 ppm2      1.643 CV     1
 OR { 1258}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HG  ))
 OR { 1258}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HB1 ))
 OR { 1258}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1261}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
      4.100     0.000     0.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.96796E-03 ppm1      0.941 ppm2      8.484 CV     1
 ASSI { 1264}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.200     0.000     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.14685E-01 ppm1      4.038 ppm2      2.009 CV     1
 OR { 1264}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1265}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.400     3.400     2.600 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      4.034 ppm2      1.641 CV     1
 OR { 1265}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 1266}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      3.300     3.300     2.700 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.41047E-02 ppm1      4.037 ppm2      1.429 CV     1
 ASSI { 1267}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     2.600     3.400 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.54649E-02 ppm1      4.038 ppm2      9.168 CV     1
 ASSI { 1268}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.200     3.200     2.800 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.19300E-02 ppm1      4.038 ppm2      7.833 CV     1
 ASSI { 1272}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      4.800     4.800     1.200 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.45242E-03 ppm1      4.043 ppm2      8.483 CV     1
 ASSI { 1273}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.600     3.600     2.400 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.23184E-02 ppm1      1.996 ppm2      1.646 CV     1
 OR { 1273}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1274}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 27   and name HB% )
      3.600     3.600     2.400 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.11841E-02 ppm1      2.012 ppm2      1.430 CV     1
 OR { 1274}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 27   and name HB% )
 ASSI { 1275}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG2 ))
      2.100     0.000     0.100 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.19506E-01 ppm1      2.011 ppm2      2.281 CV     1
 OR { 1275}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HG2 ))
 OR { 1275}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG1 ))
 OR { 1275}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HG1 ))
 ASSI { 1278}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.000     0.000     0.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.14419E-02 ppm1      2.293 ppm2      7.833 CV     1
 OR { 1278}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1279}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     0.000     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.44510E-02 ppm1      2.301 ppm2      4.037 CV     1
 OR { 1279}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 1280}
   (( segid "    " and resid 29   and name HG2 ))
   (  segid "    " and resid 27   and name HB% )
      3.500     0.000     0.000 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.17988E-02 ppm1      2.290 ppm2      1.421 CV     1
 OR { 1280}
   (( segid "    " and resid 29   and name HG1 ))
   (  segid "    " and resid 27   and name HB% )
 ASSI { 1283}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.100     0.000     0.100 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.17751E-01 ppm1      4.297 ppm2      2.239 CV     1
 OR { 1283}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1283}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI { 1285}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      3.100     0.000     0.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.20021E-02 ppm1      4.300 ppm2      1.150 CV     1
 ASSI { 1286}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      4.400     4.400     1.600 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.85816E-03 ppm1      4.302 ppm2      0.947 CV     1
 ASSI { 1289}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     0.000     0.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.18376E-02 ppm1      4.295 ppm2      7.359 CV     1
 ASSI { 1291}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     0.000     0.000 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.75794E-03 ppm1      2.245 ppm2      8.574 CV     1
 ASSI { 1292}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      3.100     3.100     2.900 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.14897E-02 ppm1      4.431 ppm2      0.946 CV     1
 ASSI { 1294}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      2.400     2.400     3.600 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.72647E-02 ppm1      4.438 ppm2      0.781 CV     1
 ASSI { 1295}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     2.700     3.300 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.33077E-02 ppm1      4.438 ppm2      1.270 CV     1
 ASSI { 1296}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      4.200     4.200     1.800 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.80034E-03 ppm1      4.434 ppm2      1.150 CV     1
 ASSI { 1298}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.100     0.000     0.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.23239E-02 ppm1      4.433 ppm2      1.977 CV     1
 ASSI { 1302}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
      2.800     2.800     3.200 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.33628E-02 ppm1      0.861 ppm2      1.270 CV     1
 ASSI { 1305}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HG  ))
      2.500     2.500     3.500 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.52176E-02 ppm1      0.861 ppm2      1.733 CV     1
 ASSI { 1309}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 20   and name HB  ))
      3.400     3.400     2.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1      0.860 ppm2      2.390 CV     1
 ASSI { 1311}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 17   and name HB1 ))
      3.800     3.800     2.200 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.35889E-03 ppm1      0.861 ppm2      2.241 CV     1
 ASSI { 1313}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
      3.300     3.300     2.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.16079E-02 ppm1      0.862 ppm2      4.321 CV     1
 ASSI { 1316}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 28   and name HA  ))
      2.800     2.800     3.200 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.47668E-02 ppm1      0.860 ppm2      3.856 CV     1
 ASSI { 1318}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      3.700     0.000     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.76881E-03 ppm1      0.861 ppm2      8.636 CV     1
 ASSI { 1319}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.700     2.700     3.300 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.37213E-02 ppm1      0.783 ppm2      1.273 CV     1
 ASSI { 1323}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      3.300     3.300     2.700 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.28668E-02 ppm1      0.784 ppm2      2.002 CV     1
 ASSI { 1327}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HG11))
      4.800     4.800     1.200 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.24979E-03 ppm1      0.786 ppm2      1.449 CV     1
 ASSI { 1329}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.600     3.600     2.400 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.78765E-03 ppm1      0.782 ppm2      4.324 CV     1
 ASSI { 1330}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      3.200     3.200     2.800 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.84909E-03 ppm1      0.785 ppm2      4.092 CV     1
 ASSI { 1331}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.400     3.400     2.600 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.13502E-02 ppm1      0.787 ppm2      3.877 CV     1
 OR { 1331}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1333}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      4.000     0.000     0.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.14129E-02 ppm1      0.783 ppm2      7.347 CV     1
 ASSI { 1334}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 37   and name HE% )
      4.100     4.100     1.900 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.13688E-02 ppm1      0.783 ppm2      7.051 CV     1
 ASSI { 1335}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      2.600     0.000     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.80416E-02 ppm1      4.440 ppm2      1.152 CV     1
 ASSI { 1336}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.200     4.200     1.800 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.10895E-02 ppm1      4.441 ppm2      2.563 CV     1
 OR { 1336}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 1337}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.000     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.79542E-02 ppm1      4.440 ppm2      8.721 CV     1
 ASSI { 1338}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     2.800     3.200 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.31277E-02 ppm1      4.440 ppm2      7.952 CV     1
 ASSI { 1342}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.300     2.300     3.700 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.10778E-01 ppm1      4.469 ppm2      1.154 CV     1
 ASSI { 1343}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.000     0.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.56759E-02 ppm1      4.471 ppm2      8.723 CV     1
 ASSI { 1345}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.400     4.400     1.600 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.83679E-03 ppm1      4.474 ppm2      2.583 CV     1
 OR { 1345}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 1347}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      3.900     0.000     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.22433E-02 ppm1      1.154 ppm2      8.719 CV     1
 ASSI { 1349}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.500     3.500     2.500 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.76007E-03 ppm1      1.152 ppm2      2.247 CV     1
 OR { 1349}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1351}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
      3.500     3.500     2.500 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.42744E-03 ppm1      1.151 ppm2      2.043 CV     1
 ASSI { 1352}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 31   and name HB1 ))
      3.400     3.400     2.600 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.54578E-03 ppm1      1.149 ppm2      1.982 CV     1
 ASSI { 1355}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.000     0.000     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      4.238 ppm2      1.807 CV     1
 ASSI { 1356}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.000     0.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.43491E-02 ppm1      4.234 ppm2      1.724 CV     1
 ASSI { 1357}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      4.100     4.100     1.900 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.10875E-02 ppm1      4.237 ppm2      1.607 CV     1
 ASSI { 1358}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.300     3.300     2.700 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.25275E-02 ppm1      4.181 ppm2      2.439 CV     1
 ASSI { 1359}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      2.700     2.700     3.300 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.58157E-02 ppm1      4.183 ppm2      2.369 CV     1
 ASSI { 1360}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     0.000     0.000 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.99081E-03 ppm1      4.236 ppm2      8.587 CV     1
 ASSI { 1361}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     0.000     0.000 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.32956E-02 ppm1      4.238 ppm2      7.875 CV     1
 ASSI { 1363}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     2.900     3.100 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.16097E-02 ppm1      2.562 ppm2      4.924 CV     1
 ASSI { 1364}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      4.100     4.100     1.900 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.74337E-03 ppm1      2.566 ppm2      4.103 CV     1
 ASSI { 1365}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HD21))
      3.000     0.000     0.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.19447E-02 ppm1      2.563 ppm2      6.792 CV     1
 ASSI { 1367}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HD21))
      3.500     0.000     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.96278E-03 ppm1      2.844 ppm2      6.787 CV     1
 ASSI { 1369}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HD22))
      3.400     3.400     2.600 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.23624E-02 ppm1      2.848 ppm2      7.490 CV     1
 ASSI { 1371}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 74   and name HG2%)
      3.100     3.100     2.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.21153E-02 ppm1      2.560 ppm2      1.093 CV     1
 ASSI { 1372}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 74   and name HG2%)
      4.200     4.200     1.800 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      2.849 ppm2      1.090 CV     1
 ASSI { 1373}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     3.400     2.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      2.843 ppm2      4.920 CV     1
 ASSI { 1375}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      4.500     0.000     0.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.65694E-03 ppm1      2.851 ppm2      4.107 CV     1
 ASSI { 1381}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 38   and name HB% )
      4.400     4.400     1.600 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.71365E-03 ppm1      2.571 ppm2      1.526 CV     1
 ASSI { 1384}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.900     2.900     3.100 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.18857E-02 ppm1      2.592 ppm2      1.778 CV     1
 OR { 1384}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1388}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 76   and name HD2 ))
      4.500     4.500     1.500 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.63098E-03 ppm1      2.572 ppm2      3.077 CV     1
 OR { 1388}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 76   and name HD2 ))
 ASSI { 1389}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 76   and name HD1 ))
      4.200     4.200     1.800 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.42423E-03 ppm1      2.562 ppm2      3.307 CV     1
 OR { 1389}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 76   and name HD1 ))
 ASSI { 1394}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     0.000     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.28446E-02 ppm1      2.844 ppm2      8.719 CV     1
 ASSI { 1403}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      1.900     1.900     4.100 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.13964E-01 ppm1      2.847 ppm2      2.560 CV     1
 ASSI { 1405}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      1.800     0.000     0.400 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.24249E-01 ppm1      2.762 ppm2      2.491 CV     1
 ASSI { 1409}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     2.900     3.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.30391E-02 ppm1      2.493 ppm2      4.608 CV     1
 ASSI { 1410}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     2.900     3.100 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.43851E-02 ppm1      2.760 ppm2      4.604 CV     1
 ASSI { 1414}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      2.800     2.800     3.200 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.44492E-02 ppm1      4.610 ppm2      2.688 CV     1
 ASSI { 1415}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.100     3.100     2.900 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.23439E-02 ppm1      4.612 ppm2      2.592 CV     1
 ASSI { 1416}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.400     0.000     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.86489E-02 ppm1      4.107 ppm2      3.884 CV     1
 OR { 1416}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1421}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 75   and name HG2%)
      3.200     3.200     2.800 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.14836E-02 ppm1      3.880 ppm2      0.932 CV     1
 OR { 1421}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 1426}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 75   and name HB  ))
      4.200     0.000     0.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.87441E-03 ppm1      3.885 ppm2      2.467 CV     1
 OR { 1426}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI { 1427}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 74   and name HG2%)
      2.900     0.000     0.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.40086E-02 ppm1      4.919 ppm2      1.094 CV     1
 ASSI { 1430}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 74   and name HA  ))
      2.400     2.400     3.600 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.39848E-02 ppm1      4.919 ppm2      5.041 CV     1
 ASSI { 1431}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     0.000     0.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.17768E-02 ppm1      4.928 ppm2      8.724 CV     1
 ASSI { 1435}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      3.700     0.000     0.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.19785E-02 ppm1      4.322 ppm2      0.769 CV     1
 OR { 1435}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1436}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.400     0.000     0.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.14635E-02 ppm1      4.345 ppm2      1.985 CV     1
 OR { 1436}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 1441}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     0.000     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.81219E-03 ppm1      4.333 ppm2      9.012 CV     1
 ASSI { 1444}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HE% )
      4.100     0.000     0.000 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.12666E-02 ppm1      4.318 ppm2      7.046 CV     1
 ASSI { 1448}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     2.800     3.200 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.20967E-02 ppm1      4.327 ppm2      2.287 CV     1
 ASSI { 1452}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
      3.200     3.200     2.800 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.18966E-02 ppm1      2.975 ppm2      0.764 CV     1
 OR { 1452}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1453}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      4.300     4.300     1.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.16211E-02 ppm1      2.900 ppm2      0.761 CV     1
 OR { 1453}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1454}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 42   and name HB  ))
      2.900     2.900     3.100 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.15503E-02 ppm1      2.976 ppm2      1.780 CV     1
 ASSI { 1455}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 42   and name HB  ))
      4.300     4.300     1.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.13386E-02 ppm1      2.903 ppm2      1.788 CV     1
 ASSI { 1457}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     3.500     2.500 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.64492E-03 ppm1      2.899 ppm2      9.020 CV     1
 ASSI { 1458}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HB% )
      4.200     4.200     1.800 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.76428E-03 ppm1      2.967 ppm2      1.525 CV     1
 ASSI { 1459}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HB% )
      4.800     4.800     1.200 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.30648E-03 ppm1      2.891 ppm2      1.522 CV     1
 ASSI { 1462}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 42   and name HG12))
      4.300     4.300     1.700 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.70783E-03 ppm1      7.324 ppm2      1.201 CV     1
 ASSI { 1463}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 42   and name HD1%)
      3.200     3.200     2.800 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.24770E-02 ppm1      7.330 ppm2      0.767 CV     1
 OR { 1463}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1469}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 78   and name HB1 ))
      4.400     4.400     1.600 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.57054E-03 ppm1      7.052 ppm2      2.586 CV     1
 ASSI { 1473}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HB% )
      2.300     2.300     3.700 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.11912E-01 ppm1      4.461 ppm2      1.538 CV     1
 ASSI { 1474}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     0.000     0.000 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.27956E-02 ppm1      4.457 ppm2      9.026 CV     1
 ASSI { 1476}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     0.000     0.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.16292E-02 ppm1      4.463 ppm2      7.715 CV     1
 ASSI { 1478}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      3.800     3.800     2.200 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.53949E-03 ppm1      4.456 ppm2      1.786 CV     1
 ASSI { 1484}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
      3.500     0.000     0.000 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.11215E-02 ppm1      1.541 ppm2      4.340 CV     1
 OR { 1484}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1486}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 42   and name HN  ))
      4.600     0.000     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.57115E-03 ppm1      1.542 ppm2      7.725 CV     1
 ASSI { 1487}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 37   and name HN  ))
      4.500     0.000     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.75179E-03 ppm1      1.539 ppm2      7.510 CV     1
 ASSI { 1489}
   (  segid "    " and resid 38   and name HB% )
   (  segid "    " and resid 69   and name HE% )
      3.200     0.000     0.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.16794E-02 ppm1      1.539 ppm2      7.136 CV     1
 ASSI { 1490}
   (  segid "    " and resid 38   and name HB% )
   (  segid "    " and resid 69   and name HD% )
      3.300     3.300     2.700 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.15178E-02 ppm1      1.543 ppm2      7.044 CV     1
 ASSI { 1494}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 39   and name HN  ))
      2.800     0.000     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.44076E-02 ppm1      1.541 ppm2      8.437 CV     1
 ASSI { 1497}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.700     3.700     2.300 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.88632E-03 ppm1      4.377 ppm2      8.047 CV     1
 ASSI { 1503}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     0.000     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.35013E-02 ppm1      4.447 ppm2      8.436 CV     1
 ASSI { 1510}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     2.700     3.300 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.46215E-02 ppm1      2.825 ppm2      8.437 CV     1
 OR { 1510}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1516}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     3.100     2.900 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.24882E-02 ppm1      3.010 ppm2      4.716 CV     1
 ASSI { 1517}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.800     2.800     3.200 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.38872E-02 ppm1      2.760 ppm2      4.720 CV     1
 ASSI { 1518}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      4.400     4.400     1.600 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.63246E-03 ppm1      3.019 ppm2      4.126 CV     1
 ASSI { 1521}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 53   and name HB1 ))
      3.900     3.900     2.100 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.71877E-03 ppm1      2.997 ppm2      1.918 CV     1
 ASSI { 1532}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 50   and name HD1%)
      4.800     4.800     1.200 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.60421E-03 ppm1      4.372 ppm2      0.600 CV     1
 ASSI { 1538}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     2.900     3.100 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.31875E-02 ppm1      2.332 ppm2      4.363 CV     1
 OR { 1538}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1540}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG1 ))
      2.900     2.900     3.100 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.24335E-02 ppm1      2.329 ppm2      2.699 CV     1
 OR { 1540}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HG1 ))
 ASSI { 1541}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG1 ))
      2.900     2.900     3.100 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.21257E-02 ppm1      2.271 ppm2      2.696 CV     1
 ASSI { 1542}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG2 ))
      3.000     3.000     3.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.25330E-02 ppm1      2.327 ppm2      2.615 CV     1
 OR { 1542}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI { 1543}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.900     2.900     3.100 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.26589E-02 ppm1      2.277 ppm2      2.622 CV     1
 ASSI { 1545}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      4.200     4.200     1.800 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.58217E-03 ppm1      2.279 ppm2      0.898 CV     1
 ASSI { 1546}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 42   and name HD1%)
      4.000     4.000     2.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.66374E-03 ppm1      2.347 ppm2      0.772 CV     1
 OR { 1546}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1547}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
      4.000     4.000     2.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.79711E-03 ppm1      2.339 ppm2      0.898 CV     1
 ASSI { 1548}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 42   and name HD1%)
      3.900     3.900     2.100 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.78183E-03 ppm1      2.280 ppm2      0.766 CV     1
 OR { 1548}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1554}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HA1 ))
      1.900     1.900     4.100 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.19173E-01 ppm1      3.739 ppm2      4.282 CV     1
 ASSI { 1564}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      2.500     2.500     3.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.62034E-02 ppm1      3.928 ppm2      0.753 CV     1
 OR { 1564}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1565}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG12))
      2.800     0.000     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.27374E-02 ppm1      3.928 ppm2      1.201 CV     1
 ASSI { 1566}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG11))
      3.300     3.300     2.700 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.25332E-02 ppm1      3.931 ppm2      1.499 CV     1
 ASSI { 1568}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      3.100     0.000     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.17963E-02 ppm1      3.929 ppm2      1.792 CV     1
 ASSI { 1569}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 42   and name HG2%)
      2.400     2.400     3.600 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.75321E-02 ppm1      1.792 ppm2      0.754 CV     1
 OR { 1569}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1570}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HG12))
      3.100     3.100     2.900 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.13671E-02 ppm1      1.797 ppm2      1.206 CV     1
 ASSI { 1571}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HG11))
      2.800     2.800     3.200 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.18529E-02 ppm1      1.790 ppm2      1.511 CV     1
 ASSI { 1576}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.000     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.46776E-02 ppm1      1.791 ppm2      7.719 CV     1
 ASSI { 1577}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 37   and name HD% )
      5.100     5.100     0.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.37313E-03 ppm1      1.787 ppm2      7.327 CV     1
 ASSI { 1579}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 69   and name HE% )
      4.100     4.100     1.900 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.47833E-03 ppm1      1.790 ppm2      7.122 CV     1
 ASSI { 1580}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 37   and name HE% )
      5.300     5.300     0.700 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.34218E-03 ppm1      1.792 ppm2      7.064 CV     1
 ASSI { 1581}
   (( segid "    " and resid 42   and name HG11))
   (  segid "    " and resid 42   and name HD1%)
      2.500     2.500     3.500 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.52267E-02 ppm1      1.501 ppm2      0.763 CV     1
 OR { 1581}
   (( segid "    " and resid 42   and name HG11))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1582}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 42   and name HG12))
      1.800     0.000     0.400 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.10624E-01 ppm1      1.502 ppm2      1.204 CV     1
 ASSI { 1587}
   (( segid "    " and resid 42   and name HG12))
   (( segid "    " and resid 40   and name HB1 ))
      4.300     4.300     1.700 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.30481E-03 ppm1      1.208 ppm2      2.318 CV     1
 ASSI { 1588}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 40   and name HB1 ))
      4.600     4.600     1.400 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.44989E-03 ppm1      1.517 ppm2      2.341 CV     1
 ASSI { 1589}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 40   and name HB2 ))
      3.900     0.000     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.57564E-03 ppm1      1.509 ppm2      2.292 CV     1
 ASSI { 1590}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 37   and name HB1 ))
      3.200     3.200     2.800 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.71346E-03 ppm1      1.493 ppm2      2.966 CV     1
 ASSI { 1591}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 37   and name HB2 ))
      5.000     5.000     1.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.60397E-03 ppm1      1.505 ppm2      2.923 CV     1
 ASSI { 1592}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 24   and name HB2 ))
      3.900     3.900     2.100 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.68931E-03 ppm1      1.500 ppm2      3.751 CV     1
 ASSI { 1593}
   (( segid "    " and resid 42   and name HG12))
   (( segid "    " and resid 41   and name HA2 ))
      3.400     3.400     2.600 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.51412E-03 ppm1      1.216 ppm2      3.741 CV     1
 ASSI { 1594}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 24   and name HA  ))
      5.100     5.100     0.900 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.23935E-03 ppm1      1.517 ppm2      4.387 CV     1
 ASSI { 1596}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 37   and name HA  ))
      3.900     3.900     2.100 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.41739E-03 ppm1      1.501 ppm2      4.320 CV     1
 ASSI { 1597}
   (( segid "    " and resid 42   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
      4.800     0.000     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.27194E-03 ppm1      1.205 ppm2      4.440 CV     1
 ASSI { 1598}
   (( segid "    " and resid 42   and name HG12))
   (( segid "    " and resid 24   and name HA  ))
      4.700     4.700     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.29761E-03 ppm1      1.226 ppm2      4.387 CV     1
 ASSI { 1601}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 42   and name HN  ))
      3.600     0.000     0.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.18633E-02 ppm1      1.504 ppm2      7.727 CV     1
 ASSI { 1602}
   (( segid "    " and resid 42   and name HG11))
   (( segid "    " and resid 43   and name HN  ))
      5.200     5.200     0.800 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.44448E-03 ppm1      1.511 ppm2      7.841 CV     1
 ASSI { 1603}
   (( segid "    " and resid 42   and name HG11))
   (  segid "    " and resid 37   and name HD% )
      3.500     3.500     2.500 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.38506E-03 ppm1      1.493 ppm2      7.332 CV     1
 ASSI { 1610}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 68   and name HD1%)
      3.200     3.200     2.800 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.18560E-02 ppm1      0.750 ppm2      0.253 CV     1
 ASSI { 1613}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HG11))
      2.800     2.800     3.200 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.26663E-02 ppm1      0.749 ppm2      1.505 CV     1
 ASSI { 1614}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
      2.400     2.400     3.600 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.57275E-02 ppm1      0.750 ppm2      1.788 CV     1
 ASSI { 1616}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
      4.700     0.000     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.33226E-03 ppm1      0.755 ppm2      2.640 CV     1
 ASSI { 1618}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 47   and name HB2 ))
      3.600     3.600     2.400 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.16760E-02 ppm1      0.750 ppm2      3.537 CV     1
 ASSI { 1619}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.600     2.600     3.400 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.48680E-02 ppm1      0.749 ppm2      3.909 CV     1
 ASSI { 1620}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      3.200     3.200     2.800 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.19655E-02 ppm1      0.698 ppm2      3.878 CV     1
 ASSI { 1621}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      3.000     3.000     3.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.25421E-02 ppm1      0.749 ppm2      3.765 CV     1
 ASSI { 1622}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      4.000     4.000     2.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.53793E-03 ppm1      0.751 ppm2      4.624 CV     1
 ASSI { 1624}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      3.800     0.000     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.75994E-03 ppm1      0.752 ppm2      4.375 CV     1
 ASSI { 1625}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      3.800     3.800     2.200 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.68355E-03 ppm1      0.697 ppm2      4.391 CV     1
 ASSI { 1627}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 37   and name HD% )
      4.900     4.900     1.100 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.29148E-03 ppm1      0.749 ppm2      7.331 CV     1
 ASSI { 1628}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 69   and name HE% )
      3.600     3.600     2.400 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      0.749 ppm2      7.139 CV     1
 ASSI { 1630}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      4.600     4.600     1.400 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.55817E-03 ppm1      0.696 ppm2      6.951 CV     1
 ASSI { 1631}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      4.400     4.400     1.600 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.40786E-03 ppm1      0.747 ppm2      8.583 CV     1
 ASSI { 1634}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.100     0.000     0.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.28738E-02 ppm1      0.751 ppm2      7.840 CV     1
 ASSI { 1635}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      3.900     3.900     2.100 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.15702E-02 ppm1      0.750 ppm2      7.721 CV     1
 ASSI { 1636}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.600     2.600     3.400 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.54473E-02 ppm1      4.623 ppm2      3.135 CV     1
 ASSI { 1644}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 69   and name HD% )
      3.900     3.900     2.100 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.54001E-03 ppm1      4.617 ppm2      7.050 CV     1
 ASSI { 1645}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     0.000     0.000 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.26142E-02 ppm1      4.621 ppm2      7.845 CV     1
 ASSI { 1648}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.000     2.000     4.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.11257E-01 ppm1      3.138 ppm2      2.632 CV     1
 ASSI { 1651}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     0.000     0.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.40095E-02 ppm1      2.637 ppm2      4.622 CV     1
 ASSI { 1657}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HB1 ))
      4.700     4.700     1.300 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.60911E-03 ppm1      3.135 ppm2      4.029 CV     1
 OR { 1657}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 1658}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HB1 ))
      5.300     5.300     0.700 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.41289E-03 ppm1      2.629 ppm2      4.035 CV     1
 OR { 1658}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 1661}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      4.600     4.600     1.400 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.71339E-03 ppm1      4.023 ppm2      4.619 CV     1
 OR { 1661}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1662}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name H28A))
      3.500     0.000     0.000 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.11131E-02 ppm1      4.025 ppm2      3.335 CV     1
 OR { 1662}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name H28A))
 ASSI { 1673}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      3.200     3.200     2.800 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.17166E-02 ppm1      1.815 ppm2      0.886 CV     1
 OR { 1673}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1674}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      3.300     3.300     2.700 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.21396E-02 ppm1      1.733 ppm2      0.893 CV     1
 OR { 1674}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 1675}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
      2.500     0.000     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.68827E-02 ppm1      1.814 ppm2      1.608 CV     1
 ASSI { 1676}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.000     0.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.76804E-02 ppm1      1.727 ppm2      1.602 CV     1
 ASSI { 1678}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
      1.800     0.000     0.400 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.17562E-01 ppm1      1.726 ppm2      1.815 CV     1
 ASSI { 1679}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 44   and name H28A))
      5.000     5.000     1.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.33300E-03 ppm1      1.813 ppm2      3.340 CV     1
 ASSI { 1680}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 44   and name H28A))
      4.200     4.200     1.800 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.27031E-03 ppm1      1.732 ppm2      3.347 CV     1
 ASSI { 1685}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 50   and name HG11))
      5.200     5.200     0.800 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.16356E-03 ppm1      0.918 ppm2      1.689 CV     1
 OR { 1685}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 50   and name HG11))
 ASSI { 1689}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.800     2.800     3.200 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.29588E-02 ppm1      0.919 ppm2      1.606 CV     1
 OR { 1689}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1690}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 78   and name HA  ))
      2.800     2.800     3.200 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.40271E-02 ppm1      1.128 ppm2      4.691 CV     1
 ASSI { 1691}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 81   and name HB1 ))
      3.300     0.000     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.13752E-02 ppm1      1.125 ppm2      3.395 CV     1
 OR { 1691}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 1693}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 82   and name HG1 ))
      3.000     3.000     3.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.23608E-02 ppm1      1.127 ppm2      2.800 CV     1
 ASSI { 1694}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 78   and name HB1 ))
      2.800     2.800     3.200 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.20346E-02 ppm1      1.129 ppm2      2.582 CV     1
 ASSI { 1696}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 78   and name HB2 ))
      3.100     0.000     0.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.36917E-02 ppm1      1.127 ppm2      1.707 CV     1
 ASSI { 1697}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 78   and name HG  ))
      2.400     2.400     3.600 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.56825E-02 ppm1      1.125 ppm2      1.574 CV     1
 ASSI { 1699}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 54   and name HE% )
      2.900     2.900     3.100 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.23218E-02 ppm1      1.130 ppm2      7.225 CV     1
 ASSI { 1703}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 16   and name HG2%)
      2.700     2.700     3.300 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.37796E-02 ppm1      1.128 ppm2      0.747 CV     1
 ASSI { 1704}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 16   and name HG1%)
      4.300     4.300     1.700 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.54280E-03 ppm1      1.131 ppm2      0.627 CV     1
 ASSI { 1705}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 68   and name HD2%)
      2.800     0.000     0.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.38557E-02 ppm1      1.126 ppm2      0.516 CV     1
 ASSI { 1707}
   (  segid "    " and resid 78   and name HD2%)
   (  segid "    " and resid 68   and name HD1%)
      3.300     0.000     0.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.17650E-02 ppm1      1.129 ppm2      0.251 CV     1
 ASSI { 1715}
   (( segid "    " and resid 78   and name HG  ))
   (  segid "    " and resid 78   and name HD2%)
      2.300     2.300     3.700 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.82456E-02 ppm1      1.586 ppm2      1.098 CV     1
 OR { 1715}
   (( segid "    " and resid 78   and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1721}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name HG12))
      3.500     3.500     2.500 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.52402E-03 ppm1      3.866 ppm2      1.200 CV     1
 OR { 1721}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name HG12))
 ASSI { 1722}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name HB  ))
      4.800     4.800     1.200 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.42828E-03 ppm1      3.884 ppm2      1.768 CV     1
 OR { 1722}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name HB  ))
 ASSI { 1723}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 50   and name HG11))
      4.000     4.000     2.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.40150E-03 ppm1      3.874 ppm2      1.663 CV     1
 OR { 1723}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 50   and name HG11))
 ASSI { 1724}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 45   and name HB1 ))
      3.700     3.700     2.300 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      3.873 ppm2      1.817 CV     1
 OR { 1724}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1725}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      3.700     3.700     2.300 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.46307E-03 ppm1      3.877 ppm2      2.031 CV     1
 OR { 1725}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 1734}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG1 ))
      2.500     2.500     3.500 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.85078E-02 ppm1      4.201 ppm2      2.346 CV     1
 ASSI { 1735}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     0.000     0.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      4.185 ppm2      8.987 CV     1
 ASSI { 1736}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 49   and name HG2%)
      3.800     3.800     2.200 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.62103E-03 ppm1      2.739 ppm2      1.025 CV     1
 ASSI { 1739}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 49   and name HG2%)
      4.600     4.600     1.400 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.47955E-03 ppm1      2.600 ppm2      1.032 CV     1
 ASSI { 1743}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 49   and name HB  ))
      4.200     4.200     1.800 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.88606E-03 ppm1      2.733 ppm2      2.093 CV     1
 ASSI { 1744}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG1 ))
      2.300     2.300     3.700 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.12113E-01 ppm1      2.601 ppm2      2.352 CV     1
 ASSI { 1749}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB1 ))
      1.700     0.000     0.500 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.30020E-01 ppm1      2.601 ppm2      2.730 CV     1
 ASSI { 1752}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     2.900     3.100 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.34879E-02 ppm1      2.738 ppm2      4.212 CV     1
 ASSI { 1753}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     2.800     3.200 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.34529E-02 ppm1      2.601 ppm2      4.212 CV     1
 ASSI { 1756}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     2.900     3.100 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.17100E-02 ppm1      2.602 ppm2      7.534 CV     1
 ASSI { 1758}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.700     0.000     0.000 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.11201E-02 ppm1      2.596 ppm2      7.973 CV     1
 ASSI { 1762}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     0.000     0.000 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.22433E-02 ppm1      2.094 ppm2      3.618 CV     1
 ASSI { 1763}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     2.700     3.300 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.32245E-02 ppm1      2.088 ppm2      4.226 CV     1
 ASSI { 1767}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HG1%)
      2.300     2.300     3.700 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.83815E-02 ppm1      2.085 ppm2      0.831 CV     1
 ASSI { 1768}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      4.000     0.000     0.000 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.16406E-02 ppm1      1.030 ppm2      8.380 CV     1
 ASSI { 1769}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.000     0.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.87810E-02 ppm1      1.029 ppm2      7.969 CV     1
 ASSI { 1770}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      3.600     3.600     2.400 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.42192E-03 ppm1      1.024 ppm2      7.858 CV     1
 ASSI { 1772}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 46   and name HB1 ))
      4.200     4.200     1.800 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.10072E-02 ppm1      1.027 ppm2      3.867 CV     1
 OR { 1772}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1773}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.000     0.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.91299E-02 ppm1      1.030 ppm2      3.619 CV     1
 ASSI { 1776}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HB  ))
      2.200     0.000     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.11655E-01 ppm1      1.030 ppm2      2.090 CV     1
 ASSI { 1779}
   (  segid "    " and resid 49   and name HG2%)
   (  segid "    " and resid 49   and name HG1%)
      2.100     0.000     0.100 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.23223E-01 ppm1      1.029 ppm2      0.824 CV     1
 ASSI { 1780}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 52   and name HB2 ))
      4.200     4.200     1.800 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.79704E-03 ppm1      1.024 ppm2      4.008 CV     1
 ASSI { 1782}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      4.500     4.500     1.500 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.67397E-03 ppm1      1.022 ppm2      7.532 CV     1
 ASSI { 1788}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 50   and name HA  ))
      3.400     3.400     2.600 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      0.825 ppm2      2.953 CV     1
 ASSI { 1789}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 53   and name HD2 ))
      3.000     3.000     3.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.15127E-02 ppm1      0.825 ppm2      2.880 CV     1
 ASSI { 1790}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 53   and name HD1 ))
      3.900     3.900     2.100 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.19878E-02 ppm1      0.821 ppm2      3.289 CV     1
 ASSI { 1791}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
      4.500     4.500     1.500 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.43371E-03 ppm1      0.822 ppm2      4.366 CV     1
 ASSI { 1792}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 46   and name HA  ))
      3.800     0.000     0.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.18069E-02 ppm1      0.823 ppm2      4.228 CV     1
 ASSI { 1795}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.900     0.000     0.000 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.69786E-03 ppm1      0.821 ppm2      4.042 CV     1
 ASSI { 1797}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 46   and name HB2 ))
      5.100     5.100     0.900 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.28022E-03 ppm1      0.817 ppm2      3.862 CV     1
 OR { 1797}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1799}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.000     0.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.65448E-02 ppm1      0.824 ppm2      3.618 CV     1
 ASSI { 1803}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      5.500     0.000     0.000 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.31138E-03 ppm1      0.826 ppm2      7.534 CV     1
 ASSI { 1808}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG12))
      2.800     2.800     3.200 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.20418E-02 ppm1      2.961 ppm2      0.446 CV     1
 ASSI { 1809}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HG2%)
      2.700     2.700     3.300 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.32791E-02 ppm1      2.963 ppm2      0.004 CV     1
 ASSI { 1811}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.100     4.100     1.900 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.16103E-02 ppm1      2.956 ppm2      1.918 CV     1
 ASSI { 1812}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG11))
      3.000     3.000     3.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.23578E-02 ppm1      2.974 ppm2      1.683 CV     1
 ASSI { 1815}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     2.900     3.100 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.13813E-02 ppm1      2.970 ppm2      2.064 CV     1
 ASSI { 1823}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 50   and name HD1%)
      2.800     2.800     3.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.28379E-02 ppm1      1.515 ppm2      0.609 CV     1
 ASSI { 1824}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 51   and name HA1 ))
      4.700     4.700     1.300 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.49306E-03 ppm1      1.520 ppm2      3.990 CV     1
 ASSI { 1825}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     3.000     3.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.16527E-02 ppm1      1.513 ppm2      3.766 CV     1
 ASSI { 1826}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HA  ))
      3.600     3.600     2.400 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.71249E-03 ppm1      1.521 ppm2      2.976 CV     1
 ASSI { 1831}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 50   and name HD1%)
      2.600     2.600     3.400 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.33224E-02 ppm1      1.678 ppm2      0.606 CV     1
 ASSI { 1832}
   (( segid "    " and resid 50   and name HG11))
   (( segid "    " and resid 50   and name HG12))
      2.200     2.200     3.800 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.34104E-02 ppm1      1.678 ppm2      0.446 CV     1
 ASSI { 1839}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 68   and name HD1%)
      2.900     2.900     3.100 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.25784E-02 ppm1      0.005 ppm2      0.263 CV     1
 ASSI { 1842}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HG12))
      2.600     2.600     3.400 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      0.006 ppm2      0.445 CV     1
 ASSI { 1843}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      3.700     3.700     2.300 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.12088E-02 ppm1      0.002 ppm2      0.801 CV     1
 ASSI { 1845}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 68   and name HB1 ))
      5.000     5.000     1.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.43834E-03 ppm1      0.007 ppm2      1.357 CV     1
 ASSI { 1846}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
      4.100     4.100     1.900 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.68555E-03 ppm1      0.007 ppm2      2.074 CV     1
 ASSI { 1847}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 23   and name HB1 ))
      4.800     4.800     1.200 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.74097E-03 ppm1      0.000 ppm2      2.043 CV     1
 ASSI { 1849}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 53   and name HB1 ))
      5.100     5.100     0.900 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.70996E-03 ppm1      0.007 ppm2      1.915 CV     1
 ASSI { 1857}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 51   and name HA1 ))
      4.500     4.500     1.500 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.56581E-03 ppm1      0.003 ppm2      4.006 CV     1
 ASSI { 1859}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      4.300     0.000     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.76189E-03 ppm1      0.003 ppm2      3.765 CV     1
 ASSI { 1860}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      2.900     2.900     3.100 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.25281E-02 ppm1      0.006 ppm2      7.230 CV     1
 ASSI { 1863}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      3.400     3.400     2.600 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.13587E-02 ppm1      0.007 ppm2      6.932 CV     1
 ASSI { 1864}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 54   and name HZ  ))
      2.800     0.000     0.000 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.22007E-02 ppm1      0.008 ppm2      6.817 CV     1
 ASSI { 1869}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 54   and name HN  ))
      4.500     4.500     1.500 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.58141E-03 ppm1      4.015 ppm2      8.807 CV     1
 ASSI { 1871}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     3.300     2.700 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.14498E-02 ppm1      3.997 ppm2      8.157 CV     1
 ASSI { 1878}
   (( segid "    " and resid 51   and name HA1 ))
   (  segid "    " and resid 54   and name HD% )
      4.200     4.200     1.800 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.12297E-02 ppm1      4.005 ppm2      6.923 CV     1
 ASSI { 1884}
   (( segid "    " and resid 51   and name HA2 ))
   (  segid "    " and resid 66   and name HE% )
      4.000     4.000     2.000 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.43009E-03 ppm1      3.399 ppm2      6.746 CV     1
 ASSI { 1888}
   (( segid "    " and resid 51   and name HA2 ))
   (  segid "    " and resid 50   and name HG2%)
      3.700     3.700     2.300 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.56502E-03 ppm1      3.398 ppm2      0.011 CV     1
 ASSI { 1896}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
      4.500     4.500     1.500 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.12232E-02 ppm1      4.136 ppm2      0.933 CV     1
 ASSI { 1901}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.500     2.500     3.500 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.56188E-02 ppm1      4.136 ppm2      1.904 CV     1
 OR { 1901}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1902}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.600     2.600     3.400 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.38400E-02 ppm1      4.138 ppm2      1.642 CV     1
 ASSI { 1904}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HG1 ))
      4.500     4.500     1.500 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.29012E-03 ppm1      4.135 ppm2      2.445 CV     1
 ASSI { 1905}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.800     3.800     2.200 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.60542E-03 ppm1      4.143 ppm2      2.376 CV     1
 ASSI { 1907}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
      4.700     4.700     1.300 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.97715E-03 ppm1      4.137 ppm2      2.879 CV     1
 ASSI { 1909}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD1 ))
      4.300     0.000     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.10735E-02 ppm1      4.135 ppm2      3.286 CV     1
 ASSI { 1911}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      4.000     0.000     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.59809E-03 ppm1      4.133 ppm2      7.636 CV     1
 ASSI { 1912}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HE  ))
      3.900     0.000     0.000 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.98751E-03 ppm1      4.134 ppm2      7.433 CV     1
 ASSI { 1915}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.200     3.200     2.800 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.12789E-02 ppm1      4.137 ppm2      8.981 CV     1
 ASSI { 1919}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 19   and name HG1%)
      2.700     2.700     3.300 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.29431E-02 ppm1      1.902 ppm2      0.929 CV     1
 OR { 1919}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI { 1922}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 19   and name HG2%)
      3.800     3.800     2.200 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.80345E-03 ppm1      1.940 ppm2      1.190 CV     1
 ASSI { 1925}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HD2 ))
      4.000     4.000     2.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.13676E-02 ppm1      1.897 ppm2      2.878 CV     1
 OR { 1925}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 1927}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.800     3.800     2.200 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.95482E-03 ppm1      1.899 ppm2      2.969 CV     1
 OR { 1927}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1935}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.100     3.100     2.900 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.22736E-02 ppm1      1.899 ppm2      8.348 CV     1
 OR { 1935}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1939}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HD1 ))
      3.200     3.200     2.800 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.89830E-03 ppm1      1.922 ppm2      3.277 CV     1
 OR { 1939}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD1 ))
 ASSI { 1941}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.000     2.000     4.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.65305E-02 ppm1      1.644 ppm2      2.067 CV     1
 ASSI { 1942}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.200     3.200     2.800 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      1.646 ppm2      2.873 CV     1
 ASSI { 1945}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HE  ))
      2.800     2.800     3.200 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.16729E-02 ppm1      1.643 ppm2      7.439 CV     1
 ASSI { 1950}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.100     0.000     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.10531E-02 ppm1      4.456 ppm2      3.719 CV     1
 ASSI { 1954}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.600     4.600     1.400 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.99807E-03 ppm1      3.102 ppm2      0.438 CV     1
 ASSI { 1958}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      4.300     4.300     1.700 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.46677E-03 ppm1      3.719 ppm2      6.952 CV     1
 ASSI { 1961}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.100     3.100     2.900 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.93863E-03 ppm1      3.769 ppm2      0.447 CV     1
 ASSI { 1967}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 58   and name HG  ))
      5.000     5.000     1.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.42887E-03 ppm1      6.922 ppm2      1.731 CV     1
 ASSI { 1969}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 55   and name HG2 ))
      4.800     0.000     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.29277E-03 ppm1      6.925 ppm2      1.653 CV     1
 ASSI { 1970}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 16   and name HG2%)
      4.700     4.700     1.300 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.46624E-03 ppm1      6.943 ppm2      0.733 CV     1
 ASSI { 1971}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 16   and name HG1%)
      4.700     4.700     1.300 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.46497E-03 ppm1      6.931 ppm2      0.647 CV     1
 ASSI { 1981}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 16   and name HG2%)
      3.200     3.200     2.800 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.10254E-02 ppm1      6.804 ppm2      0.736 CV     1
 ASSI { 1982}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 20   and name HG2%)
      3.200     3.200     2.800 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.14939E-02 ppm1      6.812 ppm2      1.169 CV     1
 ASSI { 1983}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     0.000     0.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.28034E-02 ppm1      2.003 ppm2      8.980 CV     1
 OR { 1983}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1988}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     2.800     3.200 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.33056E-02 ppm1      2.004 ppm2      4.564 CV     1
 OR { 1988}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1989}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      4.200     4.200     1.800 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.39460E-03 ppm1      1.995 ppm2      4.177 CV     1
 OR { 1989}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 1990}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD1 ))
      2.900     2.900     3.100 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.34632E-02 ppm1      2.001 ppm2      3.304 CV     1
 OR { 1990}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR { 1990}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR { 1990}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD1 ))
 ASSI { 1992}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      5.200     5.200     0.800 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.41761E-03 ppm1      1.994 ppm2      0.441 CV     1
 OR { 1992}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1998}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 52   and name HA  ))
      5.300     5.300     0.700 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.24450E-03 ppm1      1.657 ppm2      4.354 CV     1
 ASSI { 2008}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.600     2.600     3.400 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.22407E-02 ppm1      2.875 ppm2      2.068 CV     1
 ASSI { 2009}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.700     3.700     2.300 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.21614E-02 ppm1      2.880 ppm2      1.902 CV     1
 ASSI { 2012}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 76   and name HD1 ))
      1.700     0.000     0.500 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.19118E-01 ppm1      3.082 ppm2      3.312 CV     1
 ASSI { 2023}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.400     0.000     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.97735E-02 ppm1      4.182 ppm2      2.072 CV     1
 OR { 2023}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 2026}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      5.000     0.000     0.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.36980E-03 ppm1      4.181 ppm2      7.655 CV     1
 ASSI { 2029}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     2.800     3.200 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.34939E-02 ppm1      2.083 ppm2      8.978 CV     1
 OR { 2029}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2044}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 56   and name HB1 ))
      2.500     2.500     3.500 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.62905E-02 ppm1      2.448 ppm2      2.082 CV     1
 OR { 2044}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 2045}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.600     2.600     3.400 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.60985E-02 ppm1      2.372 ppm2      2.078 CV     1
 OR { 2045}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 2055}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD2%)
      4.200     4.200     1.800 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.12735E-02 ppm1      4.536 ppm2      0.919 CV     1
 ASSI { 2056}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      2.500     0.000     0.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.79717E-02 ppm1      4.536 ppm2      0.822 CV     1
 ASSI { 2058}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG  ))
      2.900     2.900     3.100 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.25213E-02 ppm1      4.526 ppm2      1.722 CV     1
 ASSI { 2059}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.000     3.000     3.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.18823E-02 ppm1      4.534 ppm2      2.493 CV     1
 ASSI { 2061}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.700     3.700     2.300 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.86437E-03 ppm1      4.528 ppm2      6.961 CV     1
 ASSI { 2064}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      4.000     4.000     2.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.91856E-03 ppm1      4.537 ppm2      8.079 CV     1
 ASSI { 2070}
   (( segid "    " and resid 58   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.800     3.800     2.200 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.97696E-03 ppm1      2.497 ppm2      0.447 CV     1
 ASSI { 2073}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
      4.400     4.400     1.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.80028E-03 ppm1      1.472 ppm2      0.621 CV     1
 ASSI { 2074}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      3.700     3.700     2.300 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.11357E-02 ppm1      1.470 ppm2      0.454 CV     1
 ASSI { 2075}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HG  ))
      2.700     2.700     3.300 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.23731E-02 ppm1      2.500 ppm2      1.727 CV     1
 ASSI { 2078}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 60   and name HB1 ))
      4.900     4.900     1.100 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.51876E-03 ppm1      2.486 ppm2      1.359 CV     1
 ASSI { 2079}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HB1 ))
      2.000     2.000     4.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.61867E-02 ppm1      1.470 ppm2      2.498 CV     1
 ASSI { 2081}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     0.000     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.28240E-02 ppm1      1.466 ppm2      4.536 CV     1
 ASSI { 2083}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     3.100     2.900 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.99321E-03 ppm1      1.473 ppm2      7.246 CV     1
 ASSI { 2089}
   (  segid "    " and resid 58   and name HD2%)
   (  segid "    " and resid 60   and name HD1%)
      2.900     2.900     3.100 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.24076E-02 ppm1      0.920 ppm2      0.437 CV     1
 ASSI { 2093}
   (  segid "    " and resid 58   and name HD2%)
   (  segid "    " and resid 19   and name HG2%)
      2.800     2.800     3.200 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.44069E-02 ppm1      0.919 ppm2      1.194 CV     1
 ASSI { 2096}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 54   and name HB2 ))
      4.900     4.900     1.100 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.50423E-03 ppm1      0.916 ppm2      3.112 CV     1
 ASSI { 2098}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 57   and name HB1 ))
      3.200     3.200     2.800 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.79607E-03 ppm1      0.913 ppm2      3.000 CV     1
 ASSI { 2099}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 57   and name HB2 ))
      3.900     3.900     2.100 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.24512E-03 ppm1      0.921 ppm2      2.752 CV     1
 ASSI { 2100}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 19   and name HB  ))
      3.600     3.600     2.400 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.41945E-03 ppm1      0.918 ppm2      2.643 CV     1
 ASSI { 2103}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 54   and name HA  ))
      3.000     3.000     3.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.24124E-02 ppm1      0.916 ppm2      4.455 CV     1
 ASSI { 2106}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 54   and name HB1 ))
      5.800     5.800     0.200 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.10069E-03 ppm1      0.931 ppm2      3.748 CV     1
 ASSI { 2108}
   (  segid "    " and resid 58   and name HD2%)
   (  segid "    " and resid 54   and name HD% )
      2.900     0.000     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.28504E-02 ppm1      0.917 ppm2      6.924 CV     1
 ASSI { 2110}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 16   and name HN  ))
      3.500     3.500     2.500 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.70692E-03 ppm1      0.916 ppm2      8.186 CV     1
 ASSI { 2112}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 16   and name HA  ))
      3.900     0.000     0.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.63523E-03 ppm1      0.821 ppm2      3.456 CV     1
 ASSI { 2113}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG  ))
      2.400     2.400     3.600 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.75988E-02 ppm1      0.827 ppm2      1.723 CV     1
 ASSI { 2114}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 15   and name HB% )
      2.400     0.000     0.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.10128E-01 ppm1      0.826 ppm2      1.617 CV     1
 ASSI { 2116}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      4.000     4.000     2.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.75146E-03 ppm1      0.826 ppm2      4.126 CV     1
 ASSI { 2118}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      3.800     3.800     2.200 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.78610E-03 ppm1      0.828 ppm2      6.929 CV     1
 ASSI { 2122}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 19   and name HG2%)
      3.800     3.800     2.200 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.51677E-03 ppm1      0.825 ppm2      1.188 CV     1
 ASSI { 2133}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 59   and name HA2 ))
      1.900     1.900     4.100 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.16979E-01 ppm1      3.935 ppm2      3.848 CV     1
 ASSI { 2137}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 60   and name HG  ))
      5.600     5.600     0.400 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.18035E-03 ppm1      3.943 ppm2      1.484 CV     1
 ASSI { 2140}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.300     0.000     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.87499E-02 ppm1      4.261 ppm2      8.599 CV     1
 ASSI { 2142}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      4.300     4.300     1.700 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.92394E-03 ppm1      4.259 ppm2      2.837 CV     1
 ASSI { 2144}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      3.400     3.400     2.600 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.15131E-02 ppm1      4.264 ppm2      1.484 CV     1
 ASSI { 2146}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.000     3.000     3.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      4.261 ppm2      0.927 CV     1
 ASSI { 2150}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      4.300     4.300     1.700 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.11304E-02 ppm1      4.260 ppm2      0.442 CV     1
 ASSI { 2151}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.23068E-02 ppm1      1.412 ppm2      4.377 CV     1
 ASSI { 2152}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     0.000     0.000 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.16433E-02 ppm1      1.372 ppm2      4.261 CV     1
 ASSI { 2157}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      3.400     3.400     2.600 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.94834E-03 ppm1      1.373 ppm2      0.601 CV     1
 ASSI { 2161}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
      2.600     2.600     3.400 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.47209E-02 ppm1      1.371 ppm2      0.464 CV     1
 ASSI { 2163}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      2.900     2.900     3.100 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.28599E-02 ppm1      0.942 ppm2      0.442 CV     1
 ASSI { 2164}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     6.000     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.95708E-04 ppm1      0.932 ppm2      0.628 CV     1
 ASSI { 2166}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
      2.000     2.000     4.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.73236E-02 ppm1      0.932 ppm2      1.374 CV     1
 ASSI { 2170}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      4.900     4.900     1.100 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.46080E-03 ppm1      0.923 ppm2      3.095 CV     1
 ASSI { 2188}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 66   and name HD% )
      3.300     3.300     2.700 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.14726E-02 ppm1      0.431 ppm2      7.022 CV     1
 ASSI { 2192}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      2.000     0.000     0.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.16318E-01 ppm1      0.450 ppm2      1.474 CV     1
 ASSI { 2202}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 60   and name HG  ))
      2.100     0.000     0.100 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.12464E-01 ppm1      0.626 ppm2      1.472 CV     1
 ASSI { 2211}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 54   and name HZ  ))
      4.900     4.900     1.100 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.60912E-03 ppm1      0.643 ppm2      6.812 CV     1
 ASSI { 2213}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 62   and name HN  ))
      3.500     0.000     0.000 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      0.501 ppm2      7.819 CV     1
 ASSI { 2216}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 81   and name HD% )
      3.100     3.100     2.900 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.31266E-02 ppm1      0.501 ppm2      7.172 CV     1
 ASSI { 2217}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 66   and name HD% )
      3.500     3.500     2.500 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.12201E-02 ppm1      0.500 ppm2      7.025 CV     1
 ASSI { 2218}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 54   and name HD% )
      3.400     0.000     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.94847E-03 ppm1      0.500 ppm2      6.919 CV     1
 ASSI { 2219}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 66   and name HE% )
      3.700     3.700     2.300 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.84139E-03 ppm1      0.501 ppm2      6.767 CV     1
 ASSI { 2221}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 62   and name HB1 ))
      2.600     2.600     3.400 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.58451E-02 ppm1      0.501 ppm2      1.429 CV     1
 ASSI { 2225}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 54   and name HB1 ))
      3.800     3.800     2.200 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.48372E-03 ppm1      0.503 ppm2      3.746 CV     1
 ASSI { 2228}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      4.800     4.800     1.200 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.34102E-03 ppm1      0.505 ppm2      2.697 CV     1
 ASSI { 2232}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
      4.800     0.000     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.50351E-03 ppm1      0.929 ppm2      8.381 CV     1
 ASSI { 2235}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      3.700     0.000     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.20021E-02 ppm1      0.928 ppm2      7.957 CV     1
 ASSI { 2240}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 54   and name HE% )
      3.000     0.000     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.26209E-02 ppm1      0.930 ppm2      7.234 CV     1
 ASSI { 2241}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 54   and name HD% )
      3.000     0.000     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.20255E-02 ppm1      0.928 ppm2      6.925 CV     1
 ASSI { 2242}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 54   and name HZ  ))
      5.200     5.200     0.800 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.19948E-03 ppm1      0.922 ppm2      6.820 CV     1
 ASSI { 2246}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 54   and name HN  ))
      4.200     4.200     1.800 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.48370E-03 ppm1      0.921 ppm2      8.799 CV     1
 ASSI { 2250}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      4.500     4.500     1.500 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.59395E-03 ppm1      2.498 ppm2      4.257 CV     1
 ASSI { 2253}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     2.700     3.300 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.58268E-02 ppm1      4.379 ppm2      1.358 CV     1
 ASSI { 2264}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 66   and name HD% )
      3.800     3.800     2.200 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.62616E-03 ppm1      1.383 ppm2      7.033 CV     1
 OR { 2264}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 66   and name HD% )
 ASSI { 2273}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
      3.500     3.500     2.500 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.13224E-02 ppm1      0.430 ppm2      4.375 CV     1
 ASSI { 2278}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 66   and name HE% )
      3.500     3.500     2.500 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.12482E-02 ppm1      0.426 ppm2      6.774 CV     1
 ASSI { 2280}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 60   and name HB2 ))
      3.000     3.000     3.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.22982E-02 ppm1      0.501 ppm2      0.927 CV     1
 ASSI { 2292}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 51   and name HA1 ))
      4.600     4.600     1.400 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.28045E-03 ppm1      0.497 ppm2      4.005 CV     1
 ASSI { 2295}
   (( segid "    " and resid 63   and name HA2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.000     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.38276E-02 ppm1      4.134 ppm2      8.581 CV     1
 ASSI { 2296}
   (( segid "    " and resid 63   and name HA1 ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     0.000     0.000 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.40690E-02 ppm1      4.295 ppm2      8.580 CV     1
 ASSI { 2297}
   (( segid "    " and resid 63   and name HA2 ))
   (( segid "    " and resid 65   and name HN  ))
      4.600     4.600     1.400 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.55784E-03 ppm1      4.147 ppm2      8.749 CV     1
 ASSI { 2300}
   (( segid "    " and resid 63   and name HA2 ))
   (( segid "    " and resid 63   and name HA1 ))
      1.900     1.900     4.100 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.16898E-01 ppm1      4.136 ppm2      4.287 CV     1
 ASSI { 2302}
   (( segid "    " and resid 63   and name HA1 ))
   (( segid "    " and resid 64   and name HD1 ))
      3.100     3.100     2.900 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.44684E-02 ppm1      4.298 ppm2      3.806 CV     1
 ASSI { 2303}
   (( segid "    " and resid 63   and name HA2 ))
   (( segid "    " and resid 64   and name HD1 ))
      2.600     2.600     3.400 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.40741E-02 ppm1      4.140 ppm2      3.798 CV     1
 ASSI { 2306}
   (( segid "    " and resid 63   and name HA1 ))
   (( segid "    " and resid 64   and name HD2 ))
      2.600     0.000     0.000 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.38450E-02 ppm1      4.288 ppm2      3.679 CV     1
 ASSI { 2307}
   (( segid "    " and resid 63   and name HA2 ))
   (( segid "    " and resid 64   and name HD2 ))
      2.900     0.000     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.54339E-02 ppm1      4.133 ppm2      3.683 CV     1
 ASSI { 2309}
   (( segid "    " and resid 63   and name HA1 ))
   (( segid "    " and resid 64   and name HB1 ))
      4.800     4.800     1.200 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.56842E-03 ppm1      4.318 ppm2      2.305 CV     1
 ASSI { 2311}
   (( segid "    " and resid 63   and name HA2 ))
   (( segid "    " and resid 64   and name HB1 ))
      4.600     4.600     1.400 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.44136E-03 ppm1      4.150 ppm2      2.303 CV     1
 ASSI { 2314}
   (( segid "    " and resid 63   and name HA1 ))
   (( segid "    " and resid 64   and name HG2 ))
      4.500     4.500     1.500 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.10636E-02 ppm1      4.290 ppm2      2.053 CV     1
 ASSI { 2315}
   (( segid "    " and resid 63   and name HA2 ))
   (( segid "    " and resid 64   and name HG2 ))
      4.600     4.600     1.400 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.13025E-02 ppm1      4.134 ppm2      2.052 CV     1
 ASSI { 2317}
   (( segid "    " and resid 63   and name HA1 ))
   (( segid "    " and resid 62   and name HB2 ))
      4.500     4.500     1.500 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.41170E-03 ppm1      4.294 ppm2      1.379 CV     1
 ASSI { 2319}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.300     0.000     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.96556E-02 ppm1      4.377 ppm2      2.313 CV     1
 ASSI { 2320}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     0.000     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.76525E-02 ppm1      4.377 ppm2      2.025 CV     1
 OR { 2320}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2321}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
      4.000     4.000     2.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.56427E-03 ppm1      4.376 ppm2      3.795 CV     1
 ASSI { 2322}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
      4.000     0.000     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.80203E-03 ppm1      4.378 ppm2      3.683 CV     1
 ASSI { 2323}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 36   and name HD21))
      4.700     4.700     1.300 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.29512E-03 ppm1      4.378 ppm2      6.785 CV     1
 ASSI { 2324}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      4.000     4.000     2.000 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.58728E-03 ppm1      4.377 ppm2      7.444 CV     1
 ASSI { 2325}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     3.100     2.900 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.22644E-02 ppm1      4.377 ppm2      8.753 CV     1
 ASSI { 2328}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.800     0.000     0.000 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.17194E-02 ppm1      2.036 ppm2      4.375 CV     1
 ASSI { 2329}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.900     3.900     2.100 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.19795E-02 ppm1      2.084 ppm2      4.373 CV     1
 ASSI { 2332}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HD1 ))
      2.500     2.500     3.500 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.40388E-02 ppm1      2.087 ppm2      3.808 CV     1
 ASSI { 2334}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HD2 ))
      2.900     2.900     3.100 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.42265E-02 ppm1      2.090 ppm2      3.676 CV     1
 ASSI { 2335}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HD2 ))
      2.500     2.500     3.500 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.37470E-02 ppm1      2.032 ppm2      3.677 CV     1
 ASSI { 2337}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 63   and name HA2 ))
      4.700     4.700     1.300 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.90775E-03 ppm1      2.085 ppm2      4.135 CV     1
 ASSI { 2339}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 65   and name HN  ))
      4.200     4.200     1.800 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.13961E-02 ppm1      2.088 ppm2      8.746 CV     1
 ASSI { 2346}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HD1 ))
      1.800     0.000     0.400 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.21078E-01 ppm1      3.680 ppm2      3.803 CV     1
 ASSI { 2347}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HB1 ))
      3.200     0.000     0.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.18285E-02 ppm1      3.803 ppm2      2.315 CV     1
 ASSI { 2348}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HG2 ))
      2.900     0.000     0.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.72654E-02 ppm1      3.805 ppm2      2.045 CV     1
 ASSI { 2349}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HB1 ))
      3.900     0.000     0.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.16516E-02 ppm1      3.677 ppm2      2.323 CV     1
 ASSI { 2354}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG1 ))
      2.500     0.000     0.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.87272E-02 ppm1      4.354 ppm2      2.239 CV     1
 OR { 2354}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG2 ))
 ASSI { 2357}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     2.800     3.200 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.35391E-02 ppm1      4.357 ppm2      8.748 CV     1
 ASSI { 2360}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.800     0.000     0.400 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.19570E-01 ppm1      2.147 ppm2      1.921 CV     1
 ASSI { 2361}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HG2 ))
      2.400     0.000     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.10798E-01 ppm1      1.922 ppm2      2.231 CV     1
 OR { 2361}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI { 2366}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.200     3.200     2.800 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.22802E-02 ppm1      2.245 ppm2      8.747 CV     1
 OR { 2366}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 2374}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD% )
      2.900     0.000     0.000 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.33683E-02 ppm1      4.227 ppm2      7.017 CV     1
 ASSI { 2375}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HE% )
      4.200     4.200     1.800 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.76338E-03 ppm1      4.224 ppm2      6.764 CV     1
 ASSI { 2383}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.100     4.100     1.900 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.70653E-03 ppm1      4.223 ppm2      3.646 CV     1
 ASSI { 2384}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 62   and name HB2 ))
      3.300     3.300     2.700 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.12004E-02 ppm1      3.123 ppm2      1.359 CV     1
 ASSI { 2385}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      4.000     4.000     2.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.70485E-03 ppm1      2.705 ppm2      1.359 CV     1
 ASSI { 2393}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.000     2.000     4.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.11492E-01 ppm1      3.418 ppm2      3.664 CV     1
 ASSI { 2395}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 70   and name HB  ))
      3.000     3.000     3.000 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.25828E-02 ppm1      3.418 ppm2      1.529 CV     1
 ASSI { 2396}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 70   and name HG11))
      3.700     3.700     2.300 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.76066E-03 ppm1      3.411 ppm2      1.179 CV     1
 ASSI { 2398}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      3.300     3.300     2.700 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.24103E-02 ppm1      3.418 ppm2      0.683 CV     1
 OR { 2398}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2399}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 70   and name HB  ))
      3.600     3.600     2.400 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.66315E-03 ppm1      3.678 ppm2      1.514 CV     1
 ASSI { 2401}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      2.900     2.900     3.100 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.15770E-02 ppm1      1.369 ppm2      3.599 CV     1
 ASSI { 2408}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 68   and name HD1%)
      3.200     3.200     2.800 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.13885E-02 ppm1      1.037 ppm2      0.246 CV     1
 ASSI { 2410}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 68   and name HD1%)
      3.000     3.000     3.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.19743E-02 ppm1      1.361 ppm2      0.250 CV     1
 ASSI { 2413}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 68   and name HD2%)
      3.100     0.000     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.13555E-02 ppm1      1.362 ppm2      0.524 CV     1
 ASSI { 2415}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
      2.100     2.100     3.900 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.58104E-02 ppm1      1.367 ppm2      1.026 CV     1
 ASSI { 2419}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 66   and name HE% )
      5.200     5.200     0.800 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.25408E-03 ppm1      1.026 ppm2      6.757 CV     1
 ASSI { 2423}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 37   and name HD% )
      4.600     4.600     1.400 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.30635E-03 ppm1      1.034 ppm2      7.333 CV     1
 ASSI { 2426}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 42   and name HG2%)
      2.900     2.900     3.100 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.31461E-02 ppm1      0.253 ppm2      0.757 CV     1
 OR { 2426}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 2427}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 50   and name HD1%)
      2.800     2.800     3.200 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.31773E-02 ppm1      0.256 ppm2      0.610 CV     1
 ASSI { 2428}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 68   and name HD2%)
      2.500     2.500     3.500 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.68957E-02 ppm1      0.253 ppm2      0.520 CV     1
 ASSI { 2429}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HG  ))
      2.500     2.500     3.500 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.50246E-02 ppm1      0.254 ppm2      1.147 CV     1
 ASSI { 2432}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 50   and name HG11))
      4.500     4.500     1.500 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.43086E-03 ppm1      0.255 ppm2      1.679 CV     1
 ASSI { 2433}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 50   and name HB  ))
      3.400     3.400     2.600 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.76176E-03 ppm1      0.257 ppm2      1.512 CV     1
 ASSI { 2438}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      3.900     3.900     2.100 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.12730E-02 ppm1      0.253 ppm2      2.873 CV     1
 OR { 2438}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2443}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      3.500     3.500     2.500 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.89085E-03 ppm1      0.253 ppm2      3.764 CV     1
 ASSI { 2445}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
      3.600     3.600     2.400 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.22605E-02 ppm1      0.254 ppm2      3.589 CV     1
 ASSI { 2453}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 37   and name HD% )
      3.600     0.000     0.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.76143E-03 ppm1      0.254 ppm2      7.331 CV     1
 ASSI { 2455}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.800     0.000     0.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.79762E-03 ppm1      0.256 ppm2      7.230 CV     1
 ASSI { 2457}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 37   and name HE% )
      3.200     3.200     2.800 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.15535E-02 ppm1      0.253 ppm2      7.043 CV     1
 ASSI { 2458}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      3.500     3.500     2.500 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.45273E-03 ppm1      0.254 ppm2      6.935 CV     1
 ASSI { 2461}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
      3.500     0.000     0.000 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.11316E-02 ppm1      0.252 ppm2      6.812 CV     1
 ASSI { 2467}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      4.500     4.500     1.500 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.29706E-03 ppm1      0.252 ppm2      7.976 CV     1
 ASSI { 2474}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HE% )
      5.000     5.000     1.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.74907E-03 ppm1      4.375 ppm2      7.142 CV     1
 ASSI { 2475}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     0.000     0.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.23591E-02 ppm1      4.377 ppm2      7.775 CV     1
 ASSI { 2491}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 44   and name HB2 ))
      4.200     4.200     1.800 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.29526E-03 ppm1      7.046 ppm2      4.010 CV     1
 OR { 2491}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 2498}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 38   and name HA  ))
      3.900     3.900     2.100 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.51906E-03 ppm1      7.137 ppm2      4.474 CV     1
 ASSI { 2501}
   (  segid "    " and resid 69   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
      3.200     3.200     2.800 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.77017E-03 ppm1      7.133 ppm2      3.801 CV     1
 ASSI { 2510}
   (  segid "    " and resid 69   and name HE% )
   (  segid "    " and resid 42   and name HG2%)
      3.300     3.300     2.700 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.61126E-03 ppm1      7.137 ppm2      0.755 CV     1
 OR { 2510}
   (  segid "    " and resid 69   and name HE% )
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 2511}
   (  segid "    " and resid 69   and name HE% )
   (  segid "    " and resid 70   and name HD1%)
      3.500     3.500     2.500 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.44577E-03 ppm1      7.137 ppm2      0.676 CV     1
 OR { 2511}
   (  segid "    " and resid 69   and name HE% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2512}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
      3.100     0.000     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.22142E-02 ppm1      3.881 ppm2      1.525 CV     1
 ASSI { 2513}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG11))
      3.200     3.200     2.800 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.28975E-02 ppm1      3.878 ppm2      1.184 CV     1
 ASSI { 2515}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      2.500     0.000     0.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.93132E-02 ppm1      3.882 ppm2      0.689 CV     1
 OR { 2515}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI { 2519}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     0.000     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.20721E-02 ppm1      3.885 ppm2      6.953 CV     1
 ASSI { 2520}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      3.500     0.000     0.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.14675E-02 ppm1      3.878 ppm2      8.204 CV     1
 ASSI { 2527}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 70   and name HG2%)
      2.400     2.400     3.600 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.79354E-02 ppm1      1.527 ppm2      0.684 CV     1
 OR { 2527}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI { 2528}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HG11))
      2.600     2.600     3.400 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.39877E-02 ppm1      1.522 ppm2      1.192 CV     1
 ASSI { 2530}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     0.000     0.000 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.27745E-02 ppm1      1.531 ppm2      6.955 CV     1
 ASSI { 2531}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     0.000     0.000 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.28773E-02 ppm1      1.531 ppm2      8.209 CV     1
 ASSI { 2534}
   (( segid "    " and resid 70   and name HG11))
   (  segid "    " and resid 70   and name HD1%)
      2.400     2.400     3.600 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.92458E-02 ppm1      1.184 ppm2      0.675 CV     1
 OR { 2534}
   (( segid "    " and resid 70   and name HG11))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2536}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 70   and name HG12))
      1.900     1.900     4.100 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.12083E-01 ppm1      1.183 ppm2      0.854 CV     1
 ASSI { 2537}
   (( segid "    " and resid 70   and name HG12))
   (  segid "    " and resid 70   and name HD1%)
      2.300     2.300     3.700 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.10322E-01 ppm1      0.860 ppm2      0.674 CV     1
 OR { 2537}
   (( segid "    " and resid 70   and name HG12))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2546}
   (( segid "    " and resid 70   and name HG11))
   (  segid "    " and resid 69   and name HD% )
      3.700     3.700     2.300 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.56478E-03 ppm1      1.182 ppm2      7.053 CV     1
 ASSI { 2547}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 70   and name HN  ))
      3.100     0.000     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.12488E-02 ppm1      1.185 ppm2      6.955 CV     1
 ASSI { 2549}
   (( segid "    " and resid 70   and name HG12))
   (( segid "    " and resid 70   and name HN  ))
      4.000     0.000     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.10142E-02 ppm1      0.857 ppm2      6.967 CV     1
 ASSI { 2551}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 71   and name HN  ))
      4.500     4.500     1.500 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.67539E-03 ppm1      1.186 ppm2      8.215 CV     1
 ASSI { 2552}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.900     2.900     3.100 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.25376E-02 ppm1      0.697 ppm2      1.527 CV     1
 ASSI { 2553}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HG11))
      3.700     3.700     2.300 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.23172E-02 ppm1      0.701 ppm2      1.180 CV     1
 ASSI { 2554}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
      5.000     5.000     1.000 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.34813E-03 ppm1      0.693 ppm2      3.417 CV     1
 ASSI { 2555}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      3.600     0.000     0.000 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.91118E-03 ppm1      1.196 ppm2      7.747 CV     1
 ASSI { 2557}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 36   and name HD22))
      4.200     0.000     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.92264E-03 ppm1      1.199 ppm2      7.489 CV     1
 ASSI { 2559}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      5.400     5.400     0.600 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.13880E-03 ppm1      1.200 ppm2      9.024 CV     1
 ASSI { 2560}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      5.700     5.700     0.300 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.15640E-03 ppm1      1.178 ppm2      8.908 CV     1
 ASSI { 2565}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      3.600     3.600     2.400 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.10327E-02 ppm1      1.196 ppm2      4.709 CV     1
 ASSI { 2575}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      5.900     5.900     0.100 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.10696E-03 ppm1      4.374 ppm2      3.526 CV     1
 ASSI { 2577}
   (  segid "    " and resid 74   and name HG2%)
   (  segid "    " and resid 77   and name HB% )
      3.700     0.000     0.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.19206E-02 ppm1      1.092 ppm2      1.734 CV     1
 ASSI { 2580}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
      4.500     4.500     1.500 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.91921E-03 ppm1      1.093 ppm2      2.476 CV     1
 ASSI { 2581}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      2.600     2.600     3.400 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.51223E-02 ppm1      1.095 ppm2      5.038 CV     1
 ASSI { 2583}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      3.000     3.000     3.000 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.11730E-02 ppm1      1.091 ppm2      4.607 CV     1
 ASSI { 2586}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      4.600     4.600     1.400 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.56297E-03 ppm1      1.094 ppm2      7.818 CV     1
 ASSI { 2591}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      4.500     0.000     0.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.75871E-03 ppm1      1.091 ppm2      8.873 CV     1
 ASSI { 2593}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
      2.400     2.400     3.600 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.62496E-02 ppm1      2.458 ppm2      0.924 CV     1
 ASSI { 2595}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     3.400     2.600 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.10218E-02 ppm1      2.471 ppm2      3.557 CV     1
 ASSI { 2611}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 20   and name HN  ))
      3.800     3.800     2.200 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.17920E-02 ppm1      0.925 ppm2      7.996 CV     1
 ASSI { 2612}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
      3.600     3.600     2.400 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.91811E-03 ppm1      0.927 ppm2      8.635 CV     1
 ASSI { 2633}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HD1 ))
      3.700     3.700     2.300 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.40190E-03 ppm1      1.781 ppm2      3.320 CV     1
 ASSI { 2636}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      4.300     4.300     1.700 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.81336E-03 ppm1      1.774 ppm2      7.804 CV     1
 ASSI { 2639}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HG2 ))
      1.900     1.900     4.100 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.11714E-01 ppm1      1.752 ppm2      1.511 CV     1
 ASSI { 2641}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HB1 ))
      2.800     2.800     3.200 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.24990E-02 ppm1      1.516 ppm2      1.898 CV     1
 ASSI { 2646}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HD2 ))
      3.400     3.400     2.600 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.16955E-02 ppm1      1.502 ppm2      3.086 CV     1
 ASSI { 2647}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HD2 ))
      2.800     2.800     3.200 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.21111E-02 ppm1      1.751 ppm2      3.078 CV     1
 ASSI { 2648}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.200     3.200     2.800 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1      1.753 ppm2      3.820 CV     1
 ASSI { 2653}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     4.000     2.000 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.54703E-03 ppm1      1.750 ppm2      7.816 CV     1
 ASSI { 2661}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     3.200     2.800 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.80442E-03 ppm1      1.499 ppm2      4.259 CV     1
 ASSI { 2662}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     3.600     2.400 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.84029E-03 ppm1      1.739 ppm2      4.443 CV     1
 ASSI { 2664}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 33   and name HB1 ))
      3.900     3.900     2.100 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.10427E-02 ppm1      1.511 ppm2      2.557 CV     1
 OR { 2664}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 2668}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.400     3.400     2.600 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.13830E-02 ppm1      1.740 ppm2      1.273 CV     1
 ASSI { 2677}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 76   and name HB1 ))
      3.800     0.000     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.12261E-02 ppm1      3.080 ppm2      1.888 CV     1
 ASSI { 2685}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     3.300     2.700 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.16629E-02 ppm1      4.333 ppm2      8.317 CV     1
 ASSI { 2688}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 75   and name HN  ))
      3.500     3.500     2.500 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.50037E-03 ppm1      1.735 ppm2      7.625 CV     1
 ASSI { 2692}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.900     2.900     3.100 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.17440E-02 ppm1      1.707 ppm2      8.324 CV     1
 ASSI { 2693}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 37   and name HE% )
      2.800     2.800     3.200 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.16286E-02 ppm1      1.713 ppm2      7.049 CV     1
 ASSI { 2694}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.700     3.700     2.300 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.97515E-03 ppm1      1.706 ppm2      8.701 CV     1
 ASSI { 2695}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      3.300     3.300     2.700 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.11641E-02 ppm1      1.706 ppm2      4.692 CV     1
 ASSI { 2699}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     0.000     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.98369E-03 ppm1      1.702 ppm2      3.561 CV     1
 ASSI { 2700}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     3.500     2.500 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.10396E-02 ppm1      2.586 ppm2      4.684 CV     1
 ASSI { 2701}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.600     3.600     2.400 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      2.584 ppm2      3.565 CV     1
 ASSI { 2702}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB1 ))
      2.200     2.200     3.800 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.42459E-02 ppm1      1.713 ppm2      2.583 CV     1
 ASSI { 2704}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HG  ))
      3.000     0.000     0.000 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.22196E-02 ppm1      2.589 ppm2      1.586 CV     1
 ASSI { 2705}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 78   and name HD1%)
      2.700     2.700     3.300 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.34620E-02 ppm1      2.584 ppm2      1.100 CV     1
 OR { 2705}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 78   and name HD2%)
 ASSI { 2706}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD2%)
      2.800     2.800     3.200 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.33028E-02 ppm1      1.711 ppm2      1.102 CV     1
 OR { 2706}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 2707}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
      3.300     3.300     2.700 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      1.716 ppm2      2.873 CV     1
 OR { 2707}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 2710}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 68   and name HD2%)
      5.400     5.400     0.600 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.21606E-03 ppm1      2.578 ppm2      0.515 CV     1
 ASSI { 2719}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG  ))
      2.500     2.500     3.500 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.54591E-02 ppm1      1.092 ppm2      1.580 CV     1
 ASSI { 2720}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 16   and name HG2%)
      3.000     0.000     0.000 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.45127E-02 ppm1      1.093 ppm2      0.737 CV     1
 ASSI { 2722}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 68   and name HD2%)
      3.100     3.100     2.900 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.17655E-02 ppm1      1.093 ppm2      0.516 CV     1
 ASSI { 2723}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 68   and name HD1%)
      3.300     3.300     2.700 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.97120E-03 ppm1      1.093 ppm2      0.252 CV     1
 ASSI { 2727}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      4.000     0.000     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.44605E-03 ppm1      1.135 ppm2      3.770 CV     1
 ASSI { 2728}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
      3.400     3.400     2.600 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.51914E-03 ppm1      1.125 ppm2      3.578 CV     1
 ASSI { 2731}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HG2 ))
      2.900     2.900     3.100 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.27639E-02 ppm1      1.806 ppm2      1.195 CV     1
 ASSI { 2739}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD2 ))
      3.300     0.000     0.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.26634E-02 ppm1      1.807 ppm2      1.633 CV     1
 OR { 2739}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD1 ))
 ASSI { 2741}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD1 ))
      3.000     3.000     3.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.16302E-02 ppm1      2.015 ppm2      1.643 CV     1
 OR { 2741}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 2745}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     3.400     2.600 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.18843E-02 ppm1      1.807 ppm2      3.763 CV     1
 ASSI { 2748}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
      4.400     4.400     1.600 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.85032E-03 ppm1      2.031 ppm2      8.284 CV     1
 ASSI { 2752}
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 79   and name HG2 ))
      2.700     2.700     3.300 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.33595E-02 ppm1      1.647 ppm2      1.195 CV     1
 OR { 2752}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 2753}
   (( segid "    " and resid 79   and name HD2 ))
   (  segid "    " and resid 31   and name HD1%)
      4.700     4.700     1.300 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.82281E-04 ppm1      1.628 ppm2      0.792 CV     1
 OR { 2753}
   (( segid "    " and resid 79   and name HD1 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 2755}
   (( segid "    " and resid 79   and name HD2 ))
   (  segid "    " and resid 13   and name HD2%)
      3.100     3.100     2.900 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.21513E-02 ppm1      1.645 ppm2      0.913 CV     1
 OR { 2755}
   (( segid "    " and resid 79   and name HD1 ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI { 2758}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HG1 ))
      2.500     2.500     3.500 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.63757E-02 ppm1      1.645 ppm2      1.806 CV     1
 OR { 2758}
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 79   and name HG1 ))
 OR { 2758}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR { 2758}
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2759}
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 79   and name HE1 ))
      2.900     2.900     3.100 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.25772E-02 ppm1      1.645 ppm2      2.832 CV     1
 OR { 2759}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HE1 ))
 ASSI { 2761}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 76   and name HA  ))
      3.800     3.800     2.200 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.17248E-02 ppm1      1.638 ppm2      3.799 CV     1
 OR { 2761}
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 2770}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HE1 ))
      3.100     3.100     2.900 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.13895E-02 ppm1      1.194 ppm2      2.843 CV     1
 ASSI { 2771}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     3.200     2.800 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.17736E-02 ppm1      1.195 ppm2      3.763 CV     1
 ASSI { 2775}
   (( segid "    " and resid 79   and name HE1 ))
   (  segid "    " and resid 75   and name HG1%)
      4.100     4.100     1.900 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.34756E-03 ppm1      2.863 ppm2      0.742 CV     1
 ASSI { 2777}
   (( segid "    " and resid 79   and name HE2 ))
   (  segid "    " and resid 75   and name HG1%)
      4.000     4.000     2.000 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.33340E-03 ppm1      2.766 ppm2      0.735 CV     1
 ASSI { 2782}
   (( segid "    " and resid 79   and name HE2 ))
   (( segid "    " and resid 79   and name HG2 ))
      3.300     3.300     2.700 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.95579E-03 ppm1      2.784 ppm2      1.190 CV     1
 ASSI { 2783}
   (( segid "    " and resid 79   and name HE1 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.400     4.400     1.600 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.62279E-03 ppm1      2.853 ppm2      2.033 CV     1
 ASSI { 2785}
   (( segid "    " and resid 79   and name HE2 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.200     4.200     1.800 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.75813E-03 ppm1      2.791 ppm2      2.033 CV     1
 ASSI { 2786}
   (( segid "    " and resid 79   and name HE1 ))
   (( segid "    " and resid 79   and name HG1 ))
      3.300     3.300     2.700 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.15439E-02 ppm1      2.852 ppm2      1.809 CV     1
 OR { 2786}
   (( segid "    " and resid 79   and name HE1 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2787}
   (( segid "    " and resid 79   and name HE2 ))
   (( segid "    " and resid 79   and name HG1 ))
      3.500     3.500     2.500 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.12091E-02 ppm1      2.777 ppm2      1.808 CV     1
 OR { 2787}
   (( segid "    " and resid 79   and name HE2 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2789}
   (( segid "    " and resid 79   and name HE2 ))
   (( segid "    " and resid 79   and name HD2 ))
      2.900     2.900     3.100 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.26037E-02 ppm1      2.777 ppm2      1.643 CV     1
 OR { 2789}
   (( segid "    " and resid 79   and name HE2 ))
   (( segid "    " and resid 79   and name HD1 ))
 ASSI { 2790}
   (( segid "    " and resid 79   and name HE1 ))
   (( segid "    " and resid 79   and name HA  ))
      4.800     4.800     1.200 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.29323E-03 ppm1      2.837 ppm2      3.782 CV     1
 ASSI { 2791}
   (( segid "    " and resid 79   and name HE2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.900     3.900     2.100 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.22923E-03 ppm1      2.785 ppm2      3.777 CV     1
 ASSI { 2793}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      3.300     3.300     2.700 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.12567E-02 ppm1      4.317 ppm2      1.761 CV     1
 ASSI { 2817}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG1 ))
      5.000     5.000     1.000 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.27442E-03 ppm1      4.101 ppm2      2.794 CV     1
 ASSI { 2820}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
      4.200     4.200     1.800 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.29595E-03 ppm1      4.094 ppm2      2.503 CV     1
 ASSI { 2824}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 8    and name HG1%)
      3.900     3.900     2.100 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.19887E-02 ppm1      1.693 ppm2      0.739 CV     1
 ASSI { 2825}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
      2.800     2.800     3.200 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.23087E-02 ppm1      2.270 ppm2      0.859 CV     1
 ASSI { 2827}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HB2 ))
      2.100     2.100     3.900 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.61612E-02 ppm1      2.268 ppm2      1.696 CV     1
 ASSI { 2829}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HE% )
      4.200     4.200     1.800 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.62285E-03 ppm1      1.681 ppm2      1.449 CV     1
 ASSI { 2831}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 78   and name HD2%)
      4.700     4.700     1.300 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.31496E-03 ppm1      2.261 ppm2      1.134 CV     1
 ASSI { 2832}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG1 ))
      3.000     0.000     0.000 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      1.693 ppm2      2.784 CV     1
 ASSI { 2833}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG2 ))
      3.400     3.400     2.600 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.17238E-02 ppm1      1.689 ppm2      2.487 CV     1
 ASSI { 2836}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HG2 ))
      3.100     0.000     0.000 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.11504E-02 ppm1      2.265 ppm2      2.483 CV     1
 ASSI { 2837}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HG1 ))
      3.200     3.200     2.800 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.20489E-02 ppm1      2.277 ppm2      2.786 CV     1
 ASSI { 2838}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     0.000     0.000 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.17346E-02 ppm1      2.269 ppm2      4.096 CV     1
 ASSI { 2840}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      3.300     3.300     2.700 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.23472E-02 ppm1      1.694 ppm2      4.096 CV     1
 ASSI { 2843}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.400     3.400     2.600 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.59825E-03 ppm1      1.694 ppm2      8.502 CV     1
 ASSI { 2846}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 78   and name HG  ))
      3.400     3.400     2.600 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.50834E-03 ppm1      2.784 ppm2      1.579 CV     1
 ASSI { 2847}
   (( segid "    " and resid 82   and name HG1 ))
   (  segid "    " and resid 82   and name HE% )
      3.200     3.200     2.800 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.21173E-02 ppm1      2.788 ppm2      1.451 CV     1
 ASSI { 2851}
   (( segid "    " and resid 82   and name HG1 ))
   (  segid "    " and resid 16   and name HG1%)
      4.100     4.100     1.900 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.34069E-03 ppm1      2.805 ppm2      0.647 CV     1
 ASSI { 2855}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 78   and name HG  ))
      3.500     3.500     2.500 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.50300E-03 ppm1      2.491 ppm2      1.575 CV     1
 ASSI { 2856}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 82   and name HE% )
      2.800     2.800     3.200 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.22068E-02 ppm1      2.494 ppm2      1.454 CV     1
 ASSI { 2857}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 78   and name HD2%)
      3.200     3.200     2.800 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.14003E-02 ppm1      2.494 ppm2      1.122 CV     1
 ASSI { 2860}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 16   and name HG1%)
      3.800     3.800     2.200 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.10627E-02 ppm1      2.492 ppm2      0.639 CV     1
 ASSI { 2861}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HG2 ))
      2.100     2.100     3.900 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.74816E-02 ppm1      2.790 ppm2      2.492 CV     1
 ASSI { 2866}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 81   and name HB1 ))
      4.100     4.100     1.900 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.55688E-03 ppm1      2.789 ppm2      3.390 CV     1
 ASSI { 2869}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      5.400     5.400     0.600 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.20681E-03 ppm1      2.495 ppm2      3.763 CV     1
 ASSI { 2870}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.800     3.800     2.200 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.32510E-03 ppm1      2.805 ppm2      3.777 CV     1
 ASSI { 2877}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.500     0.000     0.000 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.13088E-02 ppm1      4.222 ppm2      7.711 CV     1
 ASSI { 2883}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HB2 ))
      2.000     2.000     4.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.10565E-01 ppm1      1.895 ppm2      1.524 CV     1
 ASSI { 2885}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HN  ))
      3.600     0.000     0.000 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.27910E-02 ppm1      1.896 ppm2      8.502 CV     1
 ASSI { 2891}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      3.200     3.200     2.800 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.10629E-02 ppm1      1.522 ppm2      4.365 CV     1
 ASSI { 2896}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HG  ))
      2.700     2.700     3.300 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.46800E-02 ppm1      1.531 ppm2      1.750 CV     1
 ASSI { 2900}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HB1 ))
      3.200     0.000     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.37251E-02 ppm1      0.814 ppm2      1.894 CV     1
 ASSI { 2902}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.300     3.300     2.700 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.15552E-02 ppm1      0.814 ppm2      8.506 CV     1
 ASSI { 2906}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
      3.100     3.100     2.900 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.19719E-02 ppm1      0.814 ppm2      4.356 CV     1
 ASSI { 2909}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HA2 ))
      3.700     3.700     2.300 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.14414E-02 ppm1      4.405 ppm2      3.954 CV     1
 OR { 2909}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HA1 ))
 ASSI { 2910}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.600     2.600     3.400 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.69242E-02 ppm1      4.403 ppm2      3.848 CV     1
 ASSI { 2913}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HB1 ))
      1.600     0.000     0.600 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.45257E-01 ppm1      3.769 ppm2      3.846 CV     1
 ASSI { 2915}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
      3.400     3.400     2.600 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.20852E-02 ppm1      3.846 ppm2      8.144 CV     1
 ASSI { 2918}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      4.200     0.000     0.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.71346E-03 ppm1      3.845 ppm2      8.415 CV     1
 ASSI { 2923}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     0.000     0.000 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.10831E-01 ppm1      3.915 ppm2      7.710 CV     1
 OR { 2923}
   (( segid "    " and resid 84   and name HA2 ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 2930}
   (( segid "    " and resid 84   and name HA2 ))
   (  segid "    " and resid 83   and name HD1%)
      3.200     3.200     2.800 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.83556E-03 ppm1      3.916 ppm2      0.822 CV     1
 OR { 2930}
   (( segid "    " and resid 84   and name HA1 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI { 2950}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     0.000     0.000 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.18678E-02 ppm1      4.140 ppm2      8.025 CV     1
 ASSI { 2951}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     3.200     2.800 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.17980E-02 ppm1      4.141 ppm2      7.897 CV     1
 ASSI { 2955}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 60   and name HD1%)
      3.800     0.000     0.000 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.80358E-03 ppm1      7.230 ppm2      0.458 CV     1
 ASSI { 2958}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 16   and name HG2%)
      3.000     3.000     3.000 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.18077E-02 ppm1      7.231 ppm2      0.734 CV     1
 ASSI { 2960}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 16   and name HA  ))
      3.100     0.000     0.000 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.16876E-02 ppm1      7.227 ppm2      3.451 CV     1
 ASSI { 2961}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 54   and name HA  ))
      4.800     4.800     1.200 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.64684E-03 ppm1      7.237 ppm2      4.447 CV     1
 ASSI { 2967}
   (  segid "    " and resid 66   and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
      3.700     3.700     2.300 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.10491E-02 ppm1      7.023 ppm2      1.347 CV     1
 ASSI { 2992}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG  ))
      2.900     0.000     0.000 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.37282E-02 ppm1      1.440 ppm2      1.713 CV     1
 ASSI { 2994}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     2.700     3.300 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.26257E-02 ppm1      1.443 ppm2      3.879 CV     1
 ASSI { 2995}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     2.600     3.400 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.36362E-02 ppm1      1.441 ppm2      8.177 CV     1
 ASSI { 2996}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     0.000     0.000 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      1.441 ppm2      8.023 CV     1
 ASSI { 2999}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.500     2.500     3.500 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.51049E-02 ppm1      1.730 ppm2      1.938 CV     1
 ASSI { 3001}
   (( segid "    " and resid 26   and name HG11))
   (  segid "    " and resid 26   and name HG2%)
      3.500     3.500     2.500 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.28725E-02 ppm1      1.447 ppm2      0.956 CV     1
 ASSI { 3002}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG12))
      2.100     0.000     0.100 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.15594E-01 ppm1      0.896 ppm2      1.102 CV     1
 ASSI { 3003}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG11))
      2.200     0.000     0.000 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.10207E-01 ppm1      0.896 ppm2      1.450 CV     1
 ASSI { 3004}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
      2.700     2.700     3.300 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.43639E-02 ppm1      0.896 ppm2      1.759 CV     1
 ASSI { 3010}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 40   and name HG1 ))
      3.400     3.400     2.600 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.68407E-03 ppm1      0.896 ppm2      2.710 CV     1
 ASSI { 3011}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 40   and name HG2 ))
      4.000     4.000     2.000 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.99748E-03 ppm1      0.896 ppm2      2.609 CV     1
 ASSI { 3012}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      3.700     3.700     2.300 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.30259E-02 ppm1      0.897 ppm2      4.078 CV     1
 ASSI { 3013}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 24   and name HB1 ))
      3.200     3.200     2.800 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.14769E-02 ppm1      0.895 ppm2      3.962 CV     1
 ASSI { 3017}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
      3.900     3.900     2.100 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.18339E-02 ppm1      0.896 ppm2      4.373 CV     1
 ASSI { 3049}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 42   and name HG12))
      2.500     2.500     3.500 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.53436E-02 ppm1      0.772 ppm2      1.195 CV     1
 ASSI { 3050}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 42   and name HG11))
      2.500     2.500     3.500 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.46083E-02 ppm1      0.772 ppm2      1.497 CV     1
 ASSI { 3052}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.400     3.400     2.600 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      0.772 ppm2      2.297 CV     1
 ASSI { 3053}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 37   and name HB1 ))
      3.600     3.600     2.400 peak  3053 spectrum    1 weight  0.10000E+01 volume  0.21573E-02 ppm1      0.773 ppm2      2.967 CV     1
 ASSI { 3054}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
      4.700     4.700     1.300 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.14142E-02 ppm1      0.775 ppm2      2.903 CV     1
 ASSI { 3055}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      2.700     2.700     3.300 peak  3055 spectrum    1 weight  0.10000E+01 volume  0.31530E-02 ppm1      0.773 ppm2      3.935 CV     1
 ASSI { 3057}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 37   and name HA  ))
      3.500     3.500     2.500 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.23447E-02 ppm1      0.772 ppm2      4.332 CV     1
 ASSI { 3058}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      4.100     4.100     1.900 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.99444E-03 ppm1      0.773 ppm2      7.854 CV     1
 ASSI { 3059}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      3.900     3.900     2.100 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.12391E-02 ppm1      0.775 ppm2      7.720 CV     1
 ASSI { 3060}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 37   and name HZ  ))
      4.700     4.700     1.300 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.37393E-03 ppm1      0.771 ppm2      7.441 CV     1
 ASSI { 3061}
   (  segid "    " and resid 42   and name HD1%)
   (  segid "    " and resid 37   and name HD% )
      3.000     3.000     3.000 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.32176E-02 ppm1      0.773 ppm2      7.330 CV     1
 ASSI { 3064}
   (  segid "    " and resid 42   and name HD1%)
   (  segid "    " and resid 37   and name HE% )
      3.500     0.000     0.000 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.12376E-02 ppm1      0.772 ppm2      7.045 CV     1
 ASSI { 3067}
   (  segid "    " and resid 42   and name HD1%)
   (  segid "    " and resid 68   and name HD1%)
      3.600     3.600     2.400 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.12711E-02 ppm1      0.775 ppm2      0.251 CV     1
 ASSI { 3076}
   (( segid "    " and resid 50   and name HG12))
   (  segid "    " and resid 50   and name HD1%)
      2.600     2.600     3.400 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.33411E-02 ppm1      0.448 ppm2      0.609 CV     1
 ASSI { 3078}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 50   and name HB  ))
      3.600     3.600     2.400 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.96200E-03 ppm1      0.447 ppm2      1.513 CV     1
 ASSI { 3092}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      3.800     0.000     0.000 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.20078E-02 ppm1      0.610 ppm2      2.954 CV     1
 ASSI { 3094}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      2.800     2.800     3.200 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.26470E-02 ppm1      0.610 ppm2      3.758 CV     1
 ASSI { 3100}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 42   and name HD1%)
      2.500     2.500     3.500 peak  3100 spectrum    1 weight  0.10000E+01 volume  0.50933E-02 ppm1      0.612 ppm2      0.780 CV     1
 ASSI { 3104}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
      3.900     3.900     2.100 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.59535E-03 ppm1      0.610 ppm2      1.042 CV     1
 ASSI { 3107}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
      3.800     3.800     2.200 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.76966E-03 ppm1      0.614 ppm2      4.392 CV     1
 ASSI { 3117}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 50   and name HG2%)
      3.300     3.300     2.700 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.19942E-02 ppm1      0.519 ppm2      0.001 CV     1
 ASSI { 3119}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 16   and name HG2%)
      4.000     4.000     2.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.17609E-02 ppm1      0.513 ppm2      0.732 CV     1
 ASSI { 3121}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 68   and name HB2 ))
      3.300     3.300     2.700 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.31451E-02 ppm1      0.518 ppm2      1.050 CV     1
 ASSI { 3129}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 47   and name HA  ))
      4.400     4.400     1.600 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.73910E-03 ppm1      0.521 ppm2      3.763 CV     1
 ASSI { 3130}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
      2.900     2.900     3.100 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.21202E-02 ppm1      0.519 ppm2      3.593 CV     1
 ASSI { 3131}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 37   and name HD% )
      4.000     4.000     2.000 peak  3131 spectrum    1 weight  0.10000E+01 volume  0.53513E-03 ppm1      0.518 ppm2      7.320 CV     1
 ASSI { 3132}
   (  segid "    " and resid 68   and name HD2%)
   (  segid "    " and resid 54   and name HE% )
      3.300     3.300     2.700 peak  3132 spectrum    1 weight  0.10000E+01 volume  0.12342E-02 ppm1      0.519 ppm2      7.232 CV     1
 ASSI { 3135}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 54   and name HZ  ))
      3.600     3.600     2.400 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.14002E-02 ppm1      0.520 ppm2      6.811 CV     1
 ASSI { 3139}
   (( segid "    " and resid 70   and name HG12))
   (( segid "    " and resid 70   and name HA  ))
      3.000     3.000     3.000 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.19724E-02 ppm1      0.861 ppm2      3.877 CV     1
 ASSI { 3140}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HG11))
      2.400     2.400     3.600 peak  3140 spectrum    1 weight  0.10000E+01 volume  0.82766E-02 ppm1      0.671 ppm2      1.179 CV     1
 ASSI { 3141}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB  ))
      3.000     3.000     3.000 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.26944E-02 ppm1      0.671 ppm2      1.529 CV     1
 ASSI { 3142}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      3.800     0.000     0.000 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.29645E-02 ppm1      0.671 ppm2      3.878 CV     1
 ASSI { 3143}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 67   and name HB1 ))
      3.900     3.900     2.100 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.66743E-03 ppm1      0.674 ppm2      3.672 CV     1
 ASSI { 3144}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 67   and name HB2 ))
      3.600     3.600     2.400 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.10295E-02 ppm1      0.671 ppm2      3.419 CV     1
 ASSI { 3145}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 69   and name HE% )
      3.200     3.200     2.800 peak  3145 spectrum    1 weight  0.10000E+01 volume  0.86755E-03 ppm1      0.670 ppm2      7.145 CV     1
 ASSI { 3146}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HN  ))
      3.100     3.100     2.900 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.88826E-03 ppm1      0.671 ppm2      6.963 CV     1
 ASSI { 3147}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HG12))
      2.200     0.000     0.000 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.13258E-01 ppm1      0.673 ppm2      0.857 CV     1
 ASSI { 3149}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     3.500     2.500 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.77134E-03 ppm1      1.588 ppm2      4.693 CV     1
 ASSI { 3152}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.600     0.000     0.000 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.50395E-02 ppm1      1.756 ppm2      1.885 CV     1
 ASSI { 3159}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      2.700     2.700     3.300 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.46451E-02 ppm1      0.739 ppm2      3.450 CV     1
 ASSI { 3160}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      3.100     0.000     0.000 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.16628E-02 ppm1      0.736 ppm2      4.416 CV     1
 ASSI { 3165}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
      4.500     4.500     1.500 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.51756E-03 ppm1      0.737 ppm2      2.920 CV     1
 ASSI { 3168}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 16   and name HB  ))
      2.200     0.000     0.000 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.94944E-02 ppm1      0.738 ppm2      2.499 CV     1
 ASSI { 3172}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 82   and name HE% )
      2.700     2.700     3.300 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.50553E-02 ppm1      0.733 ppm2      1.454 CV     1
 ASSI { 3176}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 78   and name HD2%)
      2.500     2.500     3.500 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.68679E-02 ppm1      0.739 ppm2      1.101 CV     1
 OR { 3176}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 3180}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     2.300     3.700 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.10431E-01 ppm1      4.357 ppm2      1.197 CV     1
 ASSI { 3181}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 36   and name HD22))
      3.100     3.100     2.900 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.12703E-02 ppm1      4.353 ppm2      7.490 CV     1
 ASSI { 3182}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.700     3.700     2.300 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.88192E-03 ppm1      4.359 ppm2      7.091 CV     1
 ASSI { 3183}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 36   and name HD21))
      3.900     0.000     0.000 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.11287E-02 ppm1      4.360 ppm2      6.792 CV     1
 ASSI { 3184}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     3.600     2.400 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.14300E-02 ppm1      4.354 ppm2      8.381 CV     1
 ASSI { 3185}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 74   and name HG2%)
      3.500     3.500     2.500 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.12812E-02 ppm1      4.362 ppm2      1.091 CV     1
 ASSI { 3186}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     3.300     2.700 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.63282E-03 ppm1      4.342 ppm2      2.947 CV     1
 ASSI { 3187}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.400     3.400     2.600 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.71210E-03 ppm1      4.336 ppm2      2.899 CV     1
 ASSI { 3188}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 77   and name HB% )
      4.300     4.300     1.700 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.73722E-03 ppm1      4.336 ppm2      1.731 CV     1
 ASSI { 3189}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.600     2.600     3.400 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.76972E-02 ppm1      4.336 ppm2      1.197 CV     1
 ASSI { 3190}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 74   and name HG2%)
      4.500     4.500     1.500 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.49268E-03 ppm1      4.334 ppm2      1.083 CV     1
 ASSI { 3191}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     0.000     0.000 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.22742E-02 ppm1      4.336 ppm2      8.377 CV     1
 ASSI { 3192}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      3.000     3.000     3.000 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.21344E-02 ppm1      4.337 ppm2      7.329 CV     1
 ASSI { 3193}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     3.300     2.700 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.17080E-02 ppm1      4.338 ppm2      7.088 CV     1
 ASSI { 3194}
   (( segid "    " and resid 74   and name HB  ))
   (  segid "    " and resid 74   and name HG2%)
      2.300     2.300     3.700 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.81439E-02 ppm1      4.368 ppm2      1.093 CV     1
 ASSI { 3196}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 75   and name HG1%)
      3.900     3.900     2.100 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.13560E-02 ppm1      5.036 ppm2      0.741 CV     1
 ASSI { 3199}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.000     0.000 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.44148E-02 ppm1      4.368 ppm2      5.037 CV     1
 ASSI { 3200}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 36   and name HA  ))
      3.800     3.800     2.200 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1      4.371 ppm2      4.913 CV     1
 ASSI { 3204}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      4.000     4.000     2.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.58083E-03 ppm1      4.365 ppm2      7.089 CV     1
 ASSI { 3206}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     0.000     0.000 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.22974E-02 ppm1      4.371 ppm2      8.874 CV     1
 ASSI { 3207}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.900     3.900     2.100 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.12073E-02 ppm1      4.366 ppm2      1.779 CV     1
 ASSI { 3209}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 75   and name HB  ))
      4.200     4.200     1.800 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.14797E-02 ppm1      4.371 ppm2      2.464 CV     1
 ASSI { 3211}
   (( segid "    " and resid 74   and name HB  ))
   (  segid "    " and resid 75   and name HG1%)
      4.600     4.600     1.400 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.13156E-02 ppm1      4.359 ppm2      0.743 CV     1
 ASSI { 3217}
   (( segid "    " and resid 51   and name HA1 ))
   (  segid "    " and resid 66   and name HE% )
      4.000     4.000     2.000 peak  3217 spectrum    1 weight  0.10000E+01 volume  0.60450E-03 ppm1      3.989 ppm2      6.770 CV     1
 ASSI { 3221}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.700     2.700     3.300 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.34605E-02 ppm1      1.887 ppm2      3.288 CV     1
 OR { 3221}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD1 ))
 ASSI { 3223}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 49   and name HG1%)
      3.700     3.700     2.300 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.48647E-03 ppm1      2.074 ppm2      0.808 CV     1
 ASSI { 3227}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HD1 ))
      3.100     3.100     2.900 peak  3227 spectrum    1 weight  0.10000E+01 volume  0.16109E-02 ppm1      2.080 ppm2      3.276 CV     1
 ASSI { 3228}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HD1 ))
      2.900     0.000     0.000 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.32486E-02 ppm1      1.646 ppm2      3.281 CV     1
 ASSI { 3232}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
      4.700     4.700     1.300 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.34361E-03 ppm1      2.061 ppm2      8.805 CV     1
 ASSI { 3237}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HB1 ))
      1.600     0.000     0.600 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.41711E-01 ppm1      1.974 ppm2      2.030 CV     1
 ASSI { 3242}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HD1 ))
      4.300     4.300     1.700 peak  3242 spectrum    1 weight  0.10000E+01 volume  0.70834E-03 ppm1      1.895 ppm2      3.314 CV     1
 ASSI { 3247}
   (( segid "    " and resid 78   and name HG  ))
   (  segid "    " and resid 37   and name HE% )
      4.000     4.000     2.000 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.65325E-03 ppm1      1.588 ppm2      7.053 CV     1
 ASSI { 3249}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
      4.100     0.000     0.000 peak  3249 spectrum    1 weight  0.10000E+01 volume  0.76253E-03 ppm1      1.587 ppm2      8.322 CV     1
 ASSI { 3254}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HB2 ))
      2.500     2.500     3.500 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.61411E-02 ppm1      0.815 ppm2      1.528 CV     1
 ASSI { 3256}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     3.200     2.800 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.25232E-02 ppm1      4.261 ppm2      8.852 CV     1
 ASSI { 3261}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     2.600     3.400 peak  3261 spectrum    1 weight  0.10000E+01 volume  0.57298E-02 ppm1      3.975 ppm2      4.478 CV     1
 ASSI { 3262}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     2.600     3.400 peak  3262 spectrum    1 weight  0.10000E+01 volume  0.58138E-02 ppm1      4.263 ppm2      4.478 CV     1
 ASSI { 3263}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.000     2.000     4.000 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.10914E-01 ppm1      4.266 ppm2      3.975 CV     1
 ASSI { 3268}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      2.000     2.000     4.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.75651E-02 ppm1      2.018 ppm2      1.803 CV     1
 OR { 3268}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI { 3269}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 14   and name HB2 ))
      3.400     3.400     2.600 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.59075E-03 ppm1      1.613 ppm2      2.669 CV     1
 ASSI { 3273}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
      2.400     0.000     0.000 peak  3273 spectrum    1 weight  0.10000E+01 volume  0.81860E-02 ppm1      3.853 ppm2      0.896 CV     1
 ASSI { 3274}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     0.000     0.000 peak  3274 spectrum    1 weight  0.10000E+01 volume  0.12388E-02 ppm1      3.852 ppm2      7.363 CV     1
 ASSI { 3276}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     0.000     0.000 peak  3276 spectrum    1 weight  0.10000E+01 volume  0.30113E-02 ppm1      3.851 ppm2      8.480 CV     1
 ASSI { 3277}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     0.000     0.000 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.86560E-03 ppm1      3.852 ppm2      9.164 CV     1
 ASSI { 3278}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.600     3.600     2.400 peak  3278 spectrum    1 weight  0.10000E+01 volume  0.20240E-02 ppm1      3.852 ppm2      1.995 CV     1
 ASSI { 3279}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.600     2.600     3.400 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.73405E-02 ppm1      3.853 ppm2      1.640 CV     1
 OR { 3279}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 3280}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.500     3.500     2.500 peak  3280 spectrum    1 weight  0.10000E+01 volume  0.51333E-03 ppm1      3.854 ppm2      1.261 CV     1
 ASSI { 3282}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      3.100     3.100     2.900 peak  3282 spectrum    1 weight  0.10000E+01 volume  0.90192E-03 ppm1      0.814 ppm2      3.887 CV     1
 ASSI { 3284}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      4.000     4.000     2.000 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.17895E-02 ppm1      0.895 ppm2      7.863 CV     1
 ASSI { 3286}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      5.100     5.100     0.900 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.97631E-03 ppm1      0.896 ppm2      8.592 CV     1
 ASSI { 3290}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 82   and name HB1 ))
      3.200     3.200     2.800 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.14267E-02 ppm1      1.454 ppm2      2.275 CV     1
 ASSI { 3291}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 54   and name HB2 ))
      3.400     3.400     2.600 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.58776E-03 ppm1      1.458 ppm2      3.094 CV     1
 ASSI { 3294}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 13   and name HA  ))
      4.500     4.500     1.500 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.36513E-03 ppm1      1.461 ppm2      3.857 CV     1
 ASSI { 3296}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 54   and name HB1 ))
      3.700     3.700     2.300 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.35488E-03 ppm1      1.457 ppm2      3.746 CV     1
 ASSI { 3297}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 82   and name HA  ))
      2.900     2.900     3.100 peak  3297 spectrum    1 weight  0.10000E+01 volume  0.13356E-02 ppm1      1.457 ppm2      4.093 CV     1
 ASSI { 3298}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 54   and name HD% )
      2.700     2.700     3.300 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.23150E-02 ppm1      1.455 ppm2      6.923 CV     1
 ASSI { 3299}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 54   and name HZ  ))
      3.400     3.400     2.600 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.17889E-02 ppm1      1.455 ppm2      6.811 CV     1
 ASSI { 3303}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 16   and name HN  ))
      5.100     5.100     0.900 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.43535E-03 ppm1      1.458 ppm2      8.184 CV     1
 ASSI { 3305}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 78   and name HD2%)
      2.500     0.000     0.000 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.79665E-02 ppm1      1.455 ppm2      1.118 CV     1
 ASSI { 3309}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 60   and name HD1%)
      2.200     0.000     0.000 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.10100E-01 ppm1      1.455 ppm2      0.452 CV     1
 ASSI { 3310}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 58   and name HD2%)
      3.200     3.200     2.800 peak  3310 spectrum    1 weight  0.10000E+01 volume  0.18048E-02 ppm1      1.457 ppm2      0.923 CV     1
 ASSI { 3316}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 79   and name HB2 ))
      3.100     3.100     2.900 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.10343E-02 ppm1      1.452 ppm2      1.810 CV     1
 OR { 3316}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 79   and name HG1 ))
 ASSI { 3318}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.300     2.300     3.700 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.71838E-02 ppm1      3.540 ppm2      3.772 CV     1
 ASSI { 3320}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      1.800     0.000     0.400 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.23264E-01 ppm1      2.317 ppm2      2.028 CV     1
 OR { 3320}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 3321}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HB1 ))
      2.500     0.000     0.000 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.62468E-02 ppm1      2.370 ppm2      2.734 CV     1
 ASSI { 3322}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB1 ))
      2.600     2.600     3.400 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.58495E-02 ppm1      2.308 ppm2      2.732 CV     1
 ASSI { 3324}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB2 ))
      2.600     2.600     3.400 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.54028E-02 ppm1      2.309 ppm2      2.602 CV     1
 ASSI { 3327}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     0.000     0.000 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.34754E-02 ppm1      2.313 ppm2      4.212 CV     1
 ASSI { 3328}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     3.700     2.300 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.21960E-02 ppm1      2.373 ppm2      7.532 CV     1
 ASSI { 3329}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     3.700     2.300 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.18652E-02 ppm1      2.311 ppm2      7.532 CV     1
 ASSI { 3333}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HG1 ))
      1.700     0.000     0.500 peak  3333 spectrum    1 weight  0.10000E+01 volume  0.29688E-01 ppm1      2.312 ppm2      2.356 CV     1
 ASSI { 3337}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 49   and name HN  ))
      4.100     4.100     1.900 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      2.306 ppm2      7.969 CV     1
 ASSI { 3338}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      4.300     0.000     0.000 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.65985E-03 ppm1      2.311 ppm2      8.753 CV     1
 ASSI { 3339}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 49   and name HG2%)
      4.500     4.500     1.500 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.50527E-03 ppm1      2.305 ppm2      1.038 CV     1
 ASSI { 3349}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.000     0.000 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.81931E-02 ppm1      1.199 ppm2      7.944 CV     1
 ASSI { 3350}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     0.000     0.000 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.36155E-02 ppm1      4.050 ppm2      4.355 CV     1
 ASSI { 3353}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     0.000     0.000 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.29396E-02 ppm1      4.058 ppm2      8.152 CV     1
 ASSI { 3354}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.100     3.100     2.900 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.15255E-02 ppm1      4.057 ppm2      8.348 CV     1
 ASSI { 3355}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      3.600     3.600     2.400 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.12209E-02 ppm1      4.055 ppm2      3.611 CV     1
 ASSI { 3356}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      5.000     5.000     1.000 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.36777E-03 ppm1      1.092 ppm2      8.382 CV     1
 ASSI { 3374}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HA  ))
      2.600     2.600     3.400 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.53882E-02 ppm1      0.744 ppm2      3.559 CV     1
 ASSI { 3375}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.800     2.800     3.200 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.18828E-02 ppm1      0.741 ppm2      1.258 CV     1
 ASSI { 3377}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 78   and name HD1%)
      3.600     0.000     0.000 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.11029E-02 ppm1      0.739 ppm2      1.101 CV     1
 OR { 3377}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 78   and name HD2%)
 ASSI { 3383}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 78   and name HB1 ))
      3.600     3.600     2.400 peak  3383 spectrum    1 weight  0.10000E+01 volume  0.10348E-02 ppm1      0.745 ppm2      2.591 CV     1
 ASSI { 3384}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HB  ))
      2.500     2.500     3.500 peak  3384 spectrum    1 weight  0.10000E+01 volume  0.60108E-02 ppm1      0.745 ppm2      2.462 CV     1
 ASSI { 3388}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
      3.900     0.000     0.000 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.13110E-02 ppm1      0.742 ppm2      4.251 CV     1
 ASSI { 3391}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 37   and name HE% )
      3.000     3.000     3.000 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.40824E-02 ppm1      0.746 ppm2      7.049 CV     1
 ASSI { 3392}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 37   and name HD% )
      3.300     3.300     2.700 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.71812E-03 ppm1      0.743 ppm2      7.336 CV     1
 ASSI { 3398}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.100     3.100     2.900 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.39177E-02 ppm1      0.743 ppm2      3.881 CV     1
 OR { 3398}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 3403}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      3.800     3.800     2.200 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.11125E-02 ppm1      3.819 ppm2      4.249 CV     1
 ASSI { 3407}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HB1 ))
      2.200     2.200     3.800 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.44773E-02 ppm1      1.789 ppm2      1.894 CV     1
 ASSI { 3412}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 60   and name HD2%)
      2.200     2.200     3.800 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.13816E-01 ppm1      0.451 ppm2      0.631 CV     1
 ASSI { 3419}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 12   and name HE2 ))
      4.100     4.100     1.900 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.70323E-03 ppm1      0.450 ppm2      2.980 CV     1
 OR { 3419}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 12   and name HE1 ))
 ASSI { 3420}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 79   and name HA  ))
      3.900     3.900     2.100 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.38623E-03 ppm1      0.617 ppm2      3.758 CV     1
 ASSI { 3430}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 53   and name HD1 ))
      3.400     3.400     2.600 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      1.201 ppm2      3.290 CV     1
 ASSI { 3439}
   (( segid "    " and resid 68   and name HG  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.100     3.100     2.900 peak  3439 spectrum    1 weight  0.10000E+01 volume  0.26260E-02 ppm1      1.163 ppm2      1.358 CV     1
 ASSI { 3441}
   (( segid "    " and resid 68   and name HG  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.800     2.800     3.200 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.19637E-02 ppm1      1.160 ppm2      1.024 CV     1
 ASSI { 3442}
   (( segid "    " and resid 68   and name HG  ))
   (  segid "    " and resid 68   and name HD2%)
      2.800     2.800     3.200 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.24370E-02 ppm1      1.159 ppm2      0.514 CV     1
 ASSI { 3443}
   (( segid "    " and resid 68   and name HG  ))
   (( segid "    " and resid 68   and name HA  ))
      3.700     3.700     2.300 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.74039E-03 ppm1      1.161 ppm2      3.586 CV     1
 ASSI { 3444}
   (( segid "    " and resid 68   and name HG  ))
   (( segid "    " and resid 69   and name HN  ))
      4.900     4.900     1.100 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.36143E-03 ppm1      1.153 ppm2      7.767 CV     1
 ASSI { 3446}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.200     2.200     3.800 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.37453E-02 ppm1      1.806 ppm2      2.006 CV     1
 ASSI { 3450}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
      4.400     4.400     1.600 peak  3450 spectrum    1 weight  0.10000E+01 volume  0.65500E-03 ppm1      1.818 ppm2      0.918 CV     1
 ASSI { 3463}
   (( segid "    " and resid 79   and name HE1 ))
   (( segid "    " and resid 79   and name HE2 ))
      1.800     0.000     0.400 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.17033E-01 ppm1      2.847 ppm2      2.793 CV     1
 ASSI { 3471}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     3.200     2.800 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.19116E-02 ppm1      2.114 ppm2      4.387 CV     1
 ASSI { 3473}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      3.900     0.000     0.000 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.94737E-03 ppm1      2.471 ppm2      7.735 CV     1
 ASSI { 3476}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     2.900     3.100 peak  3476 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      2.467 ppm2      4.396 CV     1
 ASSI { 3477}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.000     2.000     4.000 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.11560E-01 ppm1      2.470 ppm2      2.112 CV     1
 ASSI { 3479}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 66   and name HE% )
      4.300     4.300     1.700 peak  3479 spectrum    1 weight  0.10000E+01 volume  0.49383E-03 ppm1      2.124 ppm2      6.772 CV     1
 ASSI { 3480}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 66   and name HE% )
      3.800     3.800     2.200 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.53173E-03 ppm1      2.476 ppm2      6.768 CV     1
 ASSI { 3482}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 66   and name HD% )
      3.900     3.900     2.100 peak  3482 spectrum    1 weight  0.10000E+01 volume  0.52460E-03 ppm1      2.474 ppm2      7.009 CV     1
 ASSI { 3488}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.700     2.700     3.300 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.56246E-02 ppm1      2.977 ppm2      1.473 CV     1
 OR { 3488}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR { 3488}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HG1 ))
 OR { 3488}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 3491}
   (( segid "    " and resid 12   and name HE2 ))
   (  segid "    " and resid 58   and name HD1%)
      4.000     4.000     2.000 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.82993E-03 ppm1      2.981 ppm2      0.814 CV     1
 OR { 3491}
   (( segid "    " and resid 12   and name HE1 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 3494}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.500     3.500     2.500 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.29879E-02 ppm1      2.978 ppm2      1.901 CV     1
 OR { 3494}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 3499}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.300     4.300     1.700 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.29936E-03 ppm1      2.977 ppm2      4.531 CV     1
 OR { 3499}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 3506}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      3.800     3.800     2.200 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      4.101 ppm2      2.117 CV     1
 ASSI { 3511}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
      4.000     4.000     2.000 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.51158E-03 ppm1      4.099 ppm2      3.390 CV     1
 ASSI { 3517}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 54   and name HA  ))
      4.100     4.100     1.900 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.17591E-03 ppm1      1.455 ppm2      4.444 CV     1
 ASSI { 3520}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      4.700     4.700     1.300 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.67274E-03 ppm1      4.222 ppm2      1.035 CV     1
 ASSI { 3549}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.300     3.300     2.700 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.42992E-02 ppm1      4.125 ppm2      2.024 CV     1
 OR { 3549}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 3553}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 58   and name HD2%)
      4.300     4.300     1.700 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.76435E-03 ppm1      4.129 ppm2      0.918 CV     1
 ASSI { 3556}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     2.800     3.200 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.32219E-02 ppm1      4.124 ppm2      8.180 CV     1
 ASSI { 3558}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     2.700     3.300 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.37716E-02 ppm1      4.125 ppm2      7.503 CV     1
 ASSI { 3559}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HG  ))
      2.400     2.400     3.600 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.80073E-02 ppm1      0.811 ppm2      1.745 CV     1
 ASSI { 3561}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HG2 ))
      2.100     2.100     3.900 peak  3561 spectrum    1 weight  0.10000E+01 volume  0.41058E-02 ppm1      1.820 ppm2      1.190 CV     1
 ASSI { 3566}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HD2 ))
      2.700     2.700     3.300 peak  3566 spectrum    1 weight  0.10000E+01 volume  0.30338E-02 ppm1      1.817 ppm2      1.635 CV     1
 OR { 3566}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HD1 ))
 ASSI { 3567}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.800     2.800     3.200 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.31969E-02 ppm1      1.818 ppm2      2.017 CV     1
 ASSI { 3569}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB1 ))
      3.000     0.000     0.000 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.22135E-02 ppm1      1.193 ppm2      2.017 CV     1
 ASSI { 3571}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.800     3.800     2.200 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.16379E-02 ppm1      1.825 ppm2      3.774 CV     1
 ASSI { 3574}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HB2 ))
      1.500     0.000     0.700 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.91714E-01 ppm1      2.691 ppm2      2.591 CV     1
 ASSI { 3583}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HE1 ))
      4.100     4.100     1.900 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.12179E-02 ppm1      1.901 ppm2      2.978 CV     1
 OR { 3583}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HE2 ))
 OR { 3583}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HE1 ))
 OR { 3583}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HE2 ))
 ASSI { 3585}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 8    and name HB  ))
      2.600     2.600     3.400 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.32583E-02 ppm1      1.904 ppm2      2.121 CV     1
 OR { 3585}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI { 3586}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 8    and name HB  ))
      2.700     2.700     3.300 peak  3586 spectrum    1 weight  0.10000E+01 volume  0.21287E-02 ppm1      1.855 ppm2      2.121 CV     1
 ASSI { 3590}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 14   and name HN  ))
      4.200     4.200     1.800 peak  3590 spectrum    1 weight  0.10000E+01 volume  0.49577E-03 ppm1      1.736 ppm2      8.030 CV     1
 ASSI { 3591}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.900     3.900     2.100 peak  3591 spectrum    1 weight  0.10000E+01 volume  0.73826E-03 ppm1      1.725 ppm2      2.648 CV     1
 ASSI { 3592}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.600     3.600     2.400 peak  3592 spectrum    1 weight  0.10000E+01 volume  0.51179E-03 ppm1      1.721 ppm2      2.920 CV     1
 ASSI { 3595}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      3.400     3.400     2.600 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.22390E-02 ppm1      0.860 ppm2      2.257 CV     1
 ASSI { 3599}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HB1 ))
      3.600     3.600     2.400 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.22079E-02 ppm1      0.860 ppm2      1.943 CV     1
 ASSI { 3608}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 31   and name HN  ))
      4.600     4.600     1.400 peak  3608 spectrum    1 weight  0.10000E+01 volume  0.73346E-03 ppm1      1.433 ppm2      7.358 CV     1
 ASSI { 3610}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      2.200     0.000     0.000 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.11912E-01 ppm1      1.430 ppm2      8.578 CV     1
 ASSI { 3611}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 28   and name HN  ))
      2.800     0.000     0.000 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.57272E-02 ppm1      1.430 ppm2      8.474 CV     1
 ASSI { 3612}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.000     0.000 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.40162E-02 ppm1      1.431 ppm2      9.168 CV     1
 ASSI { 3613}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
      4.100     4.100     1.900 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.56442E-03 ppm1      1.626 ppm2      3.454 CV     1
 ASSI { 3622}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.400     3.400     2.600 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.45175E-02 ppm1      0.738 ppm2      8.191 CV     1
 ASSI { 3623}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 7    and name HN  ))
      3.700     3.700     2.300 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.11433E-02 ppm1      0.711 ppm2      8.111 CV     1
 ASSI { 3629}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.000     2.000     4.000 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.79879E-02 ppm1      2.269 ppm2      1.979 CV     1
 ASSI { 3630}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.200     0.000     0.000 peak  3630 spectrum    1 weight  0.10000E+01 volume  0.13916E-01 ppm1      1.990 ppm2      2.327 CV     1
 OR { 3630}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 3631}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.500     0.000     0.000 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.81892E-02 ppm1      2.066 ppm2      2.329 CV     1
 OR { 3631}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 3633}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     0.000     0.000 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.29026E-02 ppm1      1.750 ppm2      7.875 CV     1
 ASSI { 3636}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HG12))
      3.800     3.800     2.200 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.86334E-03 ppm1      1.754 ppm2      1.117 CV     1
 ASSI { 3638}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 31   and name HD1%)
      3.000     3.000     3.000 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.22680E-02 ppm1      1.761 ppm2      0.773 CV     1
 ASSI { 3653}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 19   and name HA  ))
      4.300     4.300     1.700 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.35683E-03 ppm1      2.640 ppm2      3.640 CV     1
 ASSI { 3655}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
      4.500     4.500     1.500 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.41977E-03 ppm1      2.328 ppm2      3.627 CV     1
 ASSI { 3657}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      5.100     5.100     0.900 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.36728E-03 ppm1      2.661 ppm2      8.168 CV     1
 ASSI { 3668}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 42   and name HG12))
      4.000     4.000     2.000 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.68989E-03 ppm1      3.975 ppm2      1.202 CV     1
 ASSI { 3677}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
      2.200     0.000     0.000 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.10976E-01 ppm1      0.954 ppm2      1.745 CV     1
 ASSI { 3678}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
      2.400     2.400     3.600 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.48386E-02 ppm1      0.954 ppm2      2.022 CV     1
 ASSI { 3679}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.000     0.000     0.000 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.65331E-02 ppm1      0.953 ppm2      2.239 CV     1
 OR { 3679}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 30   and name HG1 ))
 OR { 3679}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 3684}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HA2 ))
      3.300     3.300     2.700 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.63040E-03 ppm1      0.952 ppm2      3.835 CV     1
 ASSI { 3689}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      5.200     5.200     0.800 peak  3689 spectrum    1 weight  0.10000E+01 volume  0.26900E-03 ppm1      0.953 ppm2      8.462 CV     1
 ASSI { 3690}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HG12))
      2.600     2.600     3.400 peak  3690 spectrum    1 weight  0.10000E+01 volume  0.36258E-02 ppm1      0.954 ppm2      1.135 CV     1
 ASSI { 3692}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.800     2.800     3.200 peak  3692 spectrum    1 weight  0.10000E+01 volume  0.67047E-02 ppm1      0.954 ppm2      0.769 CV     1
 ASSI { 3701}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.000     0.000 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.14478E-01 ppm1      4.027 ppm2      3.803 CV     1
 OR { 3701}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 3702}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     3.400     2.600 peak  3702 spectrum    1 weight  0.10000E+01 volume  0.19656E-02 ppm1      4.022 ppm2      4.228 CV     1
 OR { 3702}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 3709}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.300     2.300     3.700 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.23984E-02 ppm1      3.626 ppm2      3.520 CV     1
 ASSI { 3711}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HD1 ))
      4.100     4.100     1.900 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.15503E-02 ppm1      2.022 ppm2      3.803 CV     1
 ASSI { 3712}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HD2 ))
      4.000     0.000     0.000 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.16560E-02 ppm1      2.019 ppm2      3.683 CV     1
 ASSI { 3713}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     2.800     3.200 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.50710E-02 ppm1      2.023 ppm2      4.375 CV     1
 ASSI { 3714}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     3.600     2.400 peak  3714 spectrum    1 weight  0.10000E+01 volume  0.10800E-02 ppm1      2.019 ppm2      8.749 CV     1
 ASSI { 3715}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      1.800     0.000     0.400 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.17779E-01 ppm1      2.022 ppm2      2.312 CV     1
 ASSI { 3721}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      3.800     3.800     2.200 peak  3721 spectrum    1 weight  0.10000E+01 volume  0.15998E-02 ppm1      0.909 ppm2      3.764 CV     1
 ASSI { 3723}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HN  ))
      4.300     4.300     1.700 peak  3723 spectrum    1 weight  0.10000E+01 volume  0.68258E-03 ppm1      0.845 ppm2      8.503 CV     1
 ASSI { 3725}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     2.700     3.300 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.36252E-02 ppm1      4.243 ppm2      7.956 CV     1
 ASSI { 3734}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HD1 ))
      1.600     0.000     0.600 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.30444E-01 ppm1      3.192 ppm2      3.280 CV     1
 ASSI { 3747}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HB  ))
      4.500     4.500     1.500 peak  3747 spectrum    1 weight  0.10000E+01 volume  0.91753E-03 ppm1      2.606 ppm2      2.092 CV     1
 ASSI { 3751}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      3.700     3.700     2.300 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.65862E-03 ppm1      1.964 ppm2      4.451 CV     1
 ASSI { 3766}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
      4.600     4.600     1.400 peak  3766 spectrum    1 weight  0.10000E+01 volume  0.87577E-03 ppm1      2.944 ppm2      0.749 CV     1
 ASSI { 3767}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      3.700     3.700     2.300 peak  3767 spectrum    1 weight  0.10000E+01 volume  0.55218E-03 ppm1      2.865 ppm2      0.748 CV     1
 ASSI { 3769}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      1.600     0.000     0.600 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.41704E-01 ppm1      1.988 ppm2      2.069 CV     1
 ASSI { 3771}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.700     2.700     3.300 peak  3771 spectrum    1 weight  0.10000E+01 volume  0.22451E-02 ppm1      4.343 ppm2      8.212 CV     1
 ASSI { 3776}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HG1 ))
      4.100     4.100     1.900 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.40219E-03 ppm1      1.963 ppm2      2.540 CV     1
 OR { 3776}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HG2 ))
 ASSI { 3784}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 12   and name HB1 ))
      3.100     3.100     2.900 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.20440E-02 ppm1      0.872 ppm2      1.894 CV     1
 ASSI { 3785}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 8    and name HG2%)
      2.100     2.100     3.900 peak  3785 spectrum    1 weight  0.10000E+01 volume  0.22533E-01 ppm1      0.742 ppm2      0.861 CV     1
 ASSI { 3787}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      3.100     0.000     0.000 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.20183E-02 ppm1      0.874 ppm2      8.174 CV     1
 ASSI { 3790}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      3.200     0.000     0.000 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.22806E-02 ppm1      0.870 ppm2      8.057 CV     1
 ASSI { 3802}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 35   and name HA  ))
      4.900     4.900     1.100 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.34020E-03 ppm1      0.748 ppm2      4.100 CV     1
 ASSI { 3810}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 77   and name HN  ))
      5.100     5.100     0.900 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.18256E-03 ppm1      3.084 ppm2      7.817 CV     1
 ASSI { 3812}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 80   and name HN  ))
      4.400     4.400     1.600 peak  3812 spectrum    1 weight  0.10000E+01 volume  0.21019E-03 ppm1      3.072 ppm2      8.718 CV     1
 ASSI { 3815}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
      3.200     3.200     2.800 peak  3815 spectrum    1 weight  0.10000E+01 volume  0.15847E-02 ppm1      0.827 ppm2      4.456 CV     1
 ASSI { 3826}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.800     2.800     3.200 peak  3826 spectrum    1 weight  0.10000E+01 volume  0.27403E-02 ppm1      1.745 ppm2      1.983 CV     1
 ASSI { 3827}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HN  ))
      4.300     4.300     1.700 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.92329E-03 ppm1      1.769 ppm2      8.869 CV     1
 ASSI { 3829}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 26   and name HG2%)
      3.300     3.300     2.700 peak  3829 spectrum    1 weight  0.10000E+01 volume  0.23299E-02 ppm1      1.738 ppm2      0.948 CV     1
 ASSI { 3837}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 6    and name HB  ))
      4.700     4.700     1.300 peak  3837 spectrum    1 weight  0.10000E+01 volume  0.93837E-03 ppm1      3.862 ppm2      2.088 CV     1
 OR { 3837}
   (( segid "    " and resid 7    and name HA1 ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI { 3839}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     3.800     2.200 peak  3839 spectrum    1 weight  0.10000E+01 volume  0.12963E-02 ppm1      3.863 ppm2      7.755 CV     1
 OR { 3839}
   (( segid "    " and resid 7    and name HA1 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 3840}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.900     0.000     0.000 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.32853E-02 ppm1      4.403 ppm2      8.144 CV     1
 ASSI { 3841}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     0.000     0.000 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.42156E-02 ppm1      4.403 ppm2      8.404 CV     1
 ASSI { 3842}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.900     2.900     3.100 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.41624E-02 ppm1      4.404 ppm2      3.762 CV     1
 ASSI { 3854}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 4    and name HN  ))
      2.900     0.000     0.000 peak  3854 spectrum    1 weight  0.10000E+01 volume  0.46167E-02 ppm1      1.387 ppm2      8.299 CV     1
 ASSI { 3855}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     4.700     1.300 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.38435E-03 ppm1      1.677 ppm2      8.256 CV     1
 OR { 3855}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 3866}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.000     0.000 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.59841E-02 ppm1      2.013 ppm2      9.170 CV     1
 OR { 3866}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 3867}
   (( segid "    " and resid 26   and name HG11))
   (( segid "    " and resid 27   and name HN  ))
      5.500     5.500     0.500 peak  3867 spectrum    1 weight  0.10000E+01 volume  0.28995E-03 ppm1      1.456 ppm2      8.570 CV     1
 ASSI { 3872}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
      3.900     3.900     2.100 peak  3872 spectrum    1 weight  0.10000E+01 volume  0.69727E-03 ppm1      4.032 ppm2      0.907 CV     1
 ASSI { 3888}
   (( segid "    " and resid 30   and name HG2 ))
   (  segid "    " and resid 32   and name HG2%)
      3.900     3.900     2.100 peak  3888 spectrum    1 weight  0.10000E+01 volume  0.47235E-03 ppm1      2.243 ppm2      1.131 CV     1
 OR { 3888}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI { 3894}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     3.100     2.900 peak  3894 spectrum    1 weight  0.10000E+01 volume  0.16527E-02 ppm1      4.266 ppm2      8.043 CV     1
 ASSI { 3899}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     3.600     2.400 peak  3899 spectrum    1 weight  0.10000E+01 volume  0.88269E-03 ppm1      4.286 ppm2      7.714 CV     1
 ASSI { 3900}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      3.200     3.200     2.800 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.13460E-02 ppm1      3.398 ppm2      4.696 CV     1
 OR { 3900}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 3908}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 7    and name HA2 ))
      3.300     3.300     2.700 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.15278E-02 ppm1      4.223 ppm2      3.869 CV     1
 OR { 3908}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 7    and name HA1 ))
 ASSI { 3909}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 82   and name HE% )
      2.400     0.000     0.000 peak  3909 spectrum    1 weight  0.10000E+01 volume  0.94265E-02 ppm1      0.646 ppm2      1.465 CV     1
 ASSI { 3914}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      5.000     5.000     1.000 peak  3914 spectrum    1 weight  0.10000E+01 volume  0.40365E-03 ppm1      4.104 ppm2      0.883 CV     1
 ASSI { 3920}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 44   and name H31%)
      3.500     3.500     2.500 peak  3920 spectrum    1 weight  0.10000E+01 volume  0.18082E-02 ppm1      4.026 ppm2      0.928 CV     1
 OR { 3920}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 44   and name H31%)
 ASSI { 3922}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     0.000     0.000 peak  3922 spectrum    1 weight  0.10000E+01 volume  0.12666E-02 ppm1      4.186 ppm2      8.587 CV     1
 ASSI { 3923}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name H30%)
      3.800     3.800     2.200 peak  3923 spectrum    1 weight  0.10000E+01 volume  0.78545E-03 ppm1      4.241 ppm2      0.807 CV     1
 ASSI { 3928}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     2.900     3.100 peak  3928 spectrum    1 weight  0.10000E+01 volume  0.28305E-02 ppm1      2.099 ppm2      4.101 CV     1
 ASSI {    4}
   (( segid "    " and resid 44   and name H28A))
   (( segid "    " and resid 44   and name H28B))
      1.700     0.400     0.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.11470E-01 ppm1      3.333 ppm2      3.734 CV     1
 ASSI {    6}
   (  segid "    " and resid 44   and name H30%)
   (  segid "    " and resid 44   and name H31%)
      2.600     0.800     0.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.60426E-02 ppm1      0.815 ppm2      0.935 CV     1
 ASSI {    8}
   (( segid "    " and resid 44   and name H28B))
   (  segid "    " and resid 44   and name H31%)
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.33374E-02 ppm1      3.743 ppm2      0.936 CV     1
 ASSI {    9}
   (( segid "    " and resid 44   and name H28A))
   (  segid "    " and resid 44   and name H31%)
      2.900     1.000     1.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.59692E-02 ppm1      3.331 ppm2      0.936 CV     1
 ASSI {   11}
   (( segid "    " and resid 44   and name H28B))
   (  segid "    " and resid 44   and name H30%)
      2.600     0.800     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.99185E-02 ppm1      3.744 ppm2      0.819 CV     1
 ASSI {   12}
   (( segid "    " and resid 44   and name H28A))
   (  segid "    " and resid 44   and name H30%)
      2.300     0.600     0.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.10425E-01 ppm1      3.332 ppm2      0.819 CV     1
 ASSI {   14}
   (  segid "    " and resid 44   and name H31%)
   (( segid "    " and resid 44   and name H32A))
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.91798E-02 ppm1      0.938 ppm2      3.990 CV     1
 ASSI {   15}
   (  segid "    " and resid 44   and name H30%)
   (( segid "    " and resid 44   and name H32A))
      2.700     0.900     0.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.52012E-02 ppm1      0.819 ppm2      3.990 CV     1
 ASSI {   23}
   (( segid "    " and resid 44   and name H36A))
   (( segid "    " and resid 44   and name H32A))
      2.400     0.700     0.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.77801E-02 ppm1      8.006 ppm2      3.990 CV     1
 ASSI {   59}
   (( segid "    " and resid 44   and name H36A))
   (  segid "    " and resid 44   and name H31%)
      3.400     1.400     1.400 peak    59 spectrum    1 weight  0.10000E+01 volume  0.17645E-02 ppm1      8.008 ppm2      0.936 CV     1
 ASSI {   60}
   (( segid "    " and resid 44   and name H36A))
   (  segid "    " and resid 44   and name H30%)
      3.400     1.400     1.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.16434E-02 ppm1      8.007 ppm2      0.818 CV     1
 ASSI {   65}
   (( segid "    " and resid 44   and name H42A))
   (( segid "    " and resid 44   and name H41A))
      2.900     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.32186E-02 ppm1      3.337 ppm2      8.161 CV     1
 OR {   65}
   (( segid "    " and resid 44   and name H42B))
   (( segid "    " and resid 44   and name H41A))
 ASSI {   66}
   (( segid "    " and resid 44   and name H37B))
   (( segid "    " and resid 44   and name H36A))
      2.900     1.100     1.100 peak    66 spectrum    1 weight  0.10000E+01 volume  0.27853E-02 ppm1      3.495 ppm2      8.004 CV     1
 OR {   66}
   (( segid "    " and resid 44   and name H37A))
   (( segid "    " and resid 44   and name H36A))
 ASSI {   67}
   (( segid "    " and resid 44   and name H38B))
   (( segid "    " and resid 44   and name H41A))
      3.200     1.300     1.300 peak    67 spectrum    1 weight  0.10000E+01 volume  0.14597E-02 ppm1      2.493 ppm2      8.153 CV     1
 OR {   67}
   (( segid "    " and resid 44   and name H38A))
   (( segid "    " and resid 44   and name H41A))
 ASSI {   85}
   (( segid "    " and resid 44   and name H37B))
   (( segid "    " and resid 44   and name H32A))
      3.100     1.200     1.200 peak    85 spectrum    1 weight  0.10000E+01 volume  0.58066E-02 ppm1      3.519 ppm2      3.989 CV     1
 OR {   85}
   (( segid "    " and resid 44   and name H37A))
   (( segid "    " and resid 44   and name H32A))
 ASSI {  108}
   (( segid "    " and resid 44   and name H32A))
   (( segid "    " and resid 44   and name H28B))
      1.800     1.800     4.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.70504E-01 ppm1      3.980 ppm2      3.732 CV     1
 ASSI {  110}
   (( segid "    " and resid 44   and name H38B))
   (( segid "    " and resid 44   and name H36A))
      3.400     1.400     1.400 peak   110 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      2.485 ppm2      8.003 CV     1
 OR {  110}
   (( segid "    " and resid 44   and name H38A))
   (( segid "    " and resid 44   and name H36A))



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1 -14.366  -2.434   4.494
    2    H2   ALA   1           HT2      ALA   1 -13.614  -1.931   3.061
    3    H3   ALA   1           HT3      ALA   1 -15.257  -1.612   3.308
    4    HA   ALA   1           HA       ALA   1 -13.044  -0.494   4.928
    5    HB1  ALA   1           HB1      ALA   1 -14.766   0.869   2.857
    6    HB2  ALA   1           HB2      ALA   1 -13.080   0.403   2.632
    7    HB3  ALA   1           HB3      ALA   1 -13.504   1.623   3.833
    8    H    MET   2           HN       MET   2 -13.677   0.369   6.804
    9    HA   MET   2           HA       MET   2 -14.974   0.853   8.594
   10    HB2  MET   2           HB2      MET   2 -17.012   1.586   6.484
   11    HB3  MET   2           HB1      MET   2 -17.231   1.862   8.209
   12    HG2  MET   2           HG2      MET   2 -15.248   3.301   8.219
   13    HG3  MET   2           HG1      MET   2 -15.050   3.026   6.490
   14    HE1  MET   2           HE1      MET   2 -16.665   3.968   4.636
   15    HE2  MET   2           HE2      MET   2 -18.185   4.791   4.986
   16    HE3  MET   2           HE3      MET   2 -17.992   3.084   5.386
   17    H    ALA   3           HN       ALA   3 -14.881  -1.325   9.195
   18    HA   ALA   3           HA       ALA   3 -15.628  -3.372   9.772
   19    HB1  ALA   3           HB1      ALA   3 -17.977  -3.965   9.707
   20    HB2  ALA   3           HB2      ALA   3 -18.339  -2.521   8.761
   21    HB3  ALA   3           HB3      ALA   3 -17.755  -2.369  10.420
   22    H    LYS   4           HN       LYS   4 -15.127  -5.148   8.773
   23    HA   LYS   4           HA       LYS   4 -14.581  -6.628   7.151
   24    HB2  LYS   4           HB2      LYS   4 -16.909  -6.781   6.575
   25    HB3  LYS   4           HB1      LYS   4 -16.827  -5.286   5.653
   26    HG2  LYS   4           HG2      LYS   4 -15.264  -6.372   4.085
   27    HG3  LYS   4           HG1      LYS   4 -15.454  -7.872   4.987
   28    HD2  LYS   4           HD2      LYS   4 -17.795  -7.982   4.439
   29    HD3  LYS   4           HD1      LYS   4 -17.724  -6.388   3.681
   30    HE2  LYS   4           HE2      LYS   4 -17.688  -8.134   1.989
   31    HE3  LYS   4           HE1      LYS   4 -16.165  -7.250   2.003
   32    HZ1  LYS   4           HZ1      LYS   4 -15.237  -9.074   3.373
   33    HZ2  LYS   4           HZ2      LYS   4 -15.714  -9.571   1.821
   34    HZ3  LYS   4           HZ3      LYS   4 -16.686  -9.935   3.159
   35    H    GLY   5           HN       GLY   5 -12.792  -6.621   6.018
   36    HA2  GLY   5           HA2      GLY   5 -12.018  -4.180   4.587
   37    HA3  GLY   5           HA1      GLY   5 -10.952  -5.517   5.004
   38    H    VAL   6           HN       VAL   6 -10.183  -6.303   3.132
   39    HA   VAL   6           HA       VAL   6 -12.124  -6.944   1.017
   40    HB   VAL   6           HB       VAL   6  -9.247  -6.157   0.592
   41   HG11  VAL   6          HG11      VAL   6 -10.058  -7.729  -1.084
   42   HG12  VAL   6          HG12      VAL   6  -9.825  -6.128  -1.784
   43   HG13  VAL   6          HG13      VAL   6 -11.450  -6.692  -1.393
   44   HG21  VAL   6          HG21      VAL   6 -11.776  -4.600   0.095
   45   HG22  VAL   6          HG22      VAL   6 -10.169  -4.117  -0.450
   46   HG23  VAL   6          HG23      VAL   6 -10.521  -4.224   1.275
   47    H    GLY   7           HN       GLY   7  -8.686  -7.709   1.506
   48    HA2  GLY   7           HA2      GLY   7  -7.954  -9.867   2.304
   49    HA3  GLY   7           HA1      GLY   7  -9.439 -10.552   1.657
   50    H    VAL   8           HN       VAL   8  -6.175  -9.885   1.073
   51    HA   VAL   8           HA       VAL   8  -6.485 -10.698  -1.739
   52    HB   VAL   8           HB       VAL   8  -4.600  -9.421  -2.384
   53   HG11  VAL   8          HG11      VAL   8  -6.136  -7.757  -0.408
   54   HG12  VAL   8          HG12      VAL   8  -6.577  -8.064  -2.089
   55   HG13  VAL   8          HG13      VAL   8  -5.125  -7.136  -1.713
   56   HG21  VAL   8          HG21      VAL   8  -4.008  -8.971   0.538
   57   HG22  VAL   8          HG22      VAL   8  -3.145  -8.211  -0.801
   58   HG23  VAL   8          HG23      VAL   8  -3.077  -9.962  -0.588
   59    H    SER   9           HN       SER   9  -4.770 -12.079  -2.561
   60    HA   SER   9           HA       SER   9  -3.814 -13.952  -0.582
   61    HB2  SER   9           HB2      SER   9  -2.904 -15.128  -2.645
   62    HB3  SER   9           HB1      SER   9  -4.654 -14.913  -2.608
   63    HG   SER   9           HG       SER   9  -3.746 -14.349  -4.643
   64    H    ASN  10           HN       ASN  10  -1.452 -14.760  -0.955
   65    HA   ASN  10           HA       ASN  10   0.261 -12.558  -0.349
   66    HB2  ASN  10           HB2      ASN  10   1.998 -14.159  -0.042
   67    HB3  ASN  10           HB1      ASN  10   0.520 -14.879   0.578
   68   HD21  ASN  10          HD21      ASN  10   3.013 -16.090  -0.375
   69   HD22  ASN  10          HD22      ASN  10   2.554 -17.199  -1.629
   70    H    GLU  11           HN       GLU  11  -0.688 -14.099  -3.216
   71    HA   GLU  11           HA       GLU  11   1.436 -13.363  -4.930
   72    HB2  GLU  11           HB2      GLU  11  -0.106 -14.945  -5.775
   73    HB3  GLU  11           HB1      GLU  11  -1.492 -13.963  -5.319
   74    HG2  GLU  11           HG2      GLU  11  -0.721 -12.305  -7.073
   75    HG3  GLU  11           HG1      GLU  11   0.417 -13.550  -7.598
   76    H    LYS  12           HN       LYS  12  -1.636 -11.785  -4.100
   77    HA   LYS  12           HA       LYS  12  -1.054  -9.377  -5.501
   78    HB2  LYS  12           HB2      LYS  12  -3.143 -10.375  -3.722
   79    HB3  LYS  12           HB1      LYS  12  -2.804  -8.667  -3.489
   80    HG2  LYS  12           HG2      LYS  12  -3.920  -8.140  -5.333
   81    HG3  LYS  12           HG1      LYS  12  -2.964  -9.270  -6.294
   82    HD2  LYS  12           HD2      LYS  12  -4.442 -11.092  -5.647
   83    HD3  LYS  12           HD1      LYS  12  -5.376  -9.991  -4.625
   84    HE2  LYS  12           HE2      LYS  12  -6.075  -8.722  -6.553
   85    HE3  LYS  12           HE1      LYS  12  -5.020  -9.665  -7.609
   86    HZ1  LYS  12           HZ1      LYS  12  -7.364 -10.713  -6.113
   87    HZ2  LYS  12           HZ2      LYS  12  -6.346 -11.623  -7.123
   88    HZ3  LYS  12           HZ3      LYS  12  -7.306 -10.387  -7.777
   89    H    LEU  13           HN       LEU  13  -0.319 -10.622  -2.355
   90    HA   LEU  13           HA       LEU  13   0.625  -8.211  -1.185
   91    HB2  LEU  13           HB2      LEU  13   0.037 -10.395  -0.017
   92    HB3  LEU  13           HB1      LEU  13   1.590 -11.005  -0.553
   93    HG   LEU  13           HG       LEU  13   2.188  -8.577   0.675
   94   HD11  LEU  13          HD11      LEU  13   0.188 -10.115   2.321
   95   HD12  LEU  13          HD12      LEU  13  -0.053  -8.508   1.632
   96   HD13  LEU  13          HD13      LEU  13   1.170  -8.758   2.880
   97   HD21  LEU  13          HD21      LEU  13   3.534 -10.604   0.731
   98   HD22  LEU  13          HD22      LEU  13   2.338 -11.378   1.774
   99   HD23  LEU  13          HD23      LEU  13   3.249  -9.986   2.359
  100    H    ASP  14           HN       ASP  14   2.009 -10.493  -3.438
  101    HA   ASP  14           HA       ASP  14   4.698  -9.509  -3.104
  102    HB2  ASP  14           HB2      ASP  14   3.625 -11.826  -4.168
  103    HB3  ASP  14           HB1      ASP  14   4.127 -10.957  -5.602
  104    H    ALA  15           HN       ALA  15   1.945  -8.876  -5.116
  105    HA   ALA  15           HA       ALA  15   3.393  -7.566  -7.223
  106    HB1  ALA  15           HB1      ALA  15   0.430  -7.554  -6.640
  107    HB2  ALA  15           HB2      ALA  15   1.263  -8.768  -7.612
  108    HB3  ALA  15           HB3      ALA  15   1.201  -7.084  -8.156
  109    H    VAL  16           HN       VAL  16   1.876  -6.621  -4.262
  110    HA   VAL  16           HA       VAL  16   1.617  -3.868  -4.867
  111    HB   VAL  16           HB       VAL  16   0.273  -4.716  -3.102
  112   HG11  VAL  16          HG11      VAL  16   1.659  -6.599  -2.441
  113   HG12  VAL  16          HG12      VAL  16   1.225  -5.637  -1.030
  114   HG13  VAL  16          HG13      VAL  16   2.841  -5.505  -1.722
  115   HG21  VAL  16          HG21      VAL  16   2.451  -2.966  -1.935
  116   HG22  VAL  16          HG22      VAL  16   0.853  -3.223  -1.225
  117   HG23  VAL  16          HG23      VAL  16   1.006  -2.414  -2.784
  118    H    MET  17           HN       MET  17   4.166  -5.789  -3.394
  119    HA   MET  17           HA       MET  17   5.602  -3.675  -2.227
  120    HB2  MET  17           HB2      MET  17   6.635  -6.359  -3.196
  121    HB3  MET  17           HB1      MET  17   7.468  -5.276  -2.099
  122    HG2  MET  17           HG2      MET  17   5.749  -5.551  -0.439
  123    HG3  MET  17           HG1      MET  17   4.811  -6.540  -1.551
  124    HE1  MET  17           HE1      MET  17   8.875  -7.858   0.198
  125    HE2  MET  17           HE2      MET  17   8.112  -6.309   0.572
  126    HE3  MET  17           HE3      MET  17   8.724  -6.624  -1.051
  127    H    ARG  18           HN       ARG  18   5.599  -4.949  -5.503
  128    HA   ARG  18           HA       ARG  18   8.005  -3.574  -6.213
  129    HB2  ARG  18           HB2      ARG  18   7.606  -4.294  -8.469
  130    HB3  ARG  18           HB1      ARG  18   7.373  -5.634  -7.355
  131    HG2  ARG  18           HG2      ARG  18   4.984  -5.413  -7.526
  132    HG3  ARG  18           HG1      ARG  18   5.160  -3.976  -8.539
  133    HD2  ARG  18           HD2      ARG  18   6.318  -5.337 -10.231
  134    HD3  ARG  18           HD1      ARG  18   6.097  -6.759  -9.218
  135    HE   ARG  18           HE       ARG  18   3.577  -5.691  -9.644
  136   HH11  ARG  18          HH11      ARG  18   6.163  -7.076 -11.568
  137   HH12  ARG  18          HH12      ARG  18   5.093  -7.651 -12.815
  138   HH21  ARG  18          HH21      ARG  18   2.166  -6.469 -11.281
  139   HH22  ARG  18          HH22      ARG  18   2.823  -7.319 -12.646
  140    H    VAL  19           HN       VAL  19   4.596  -2.838  -6.254
  141    HA   VAL  19           HA       VAL  19   4.875  -0.547  -7.960
  142    HB   VAL  19           HB       VAL  19   2.685  -1.422  -6.052
  143   HG11  VAL  19          HG11      VAL  19   2.866   1.069  -7.733
  144   HG12  VAL  19          HG12      VAL  19   2.595   0.942  -6.000
  145   HG13  VAL  19          HG13      VAL  19   1.342   0.420  -7.129
  146   HG21  VAL  19          HG21      VAL  19   2.980  -2.712  -8.142
  147   HG22  VAL  19          HG22      VAL  19   2.754  -1.223  -9.067
  148   HG23  VAL  19          HG23      VAL  19   1.437  -1.856  -8.084
  149    H    VAL  20           HN       VAL  20   4.891  -1.254  -4.564
  150    HA   VAL  20           HA       VAL  20   5.155   1.389  -3.604
  151    HB   VAL  20           HB       VAL  20   5.774  -1.338  -2.463
  152   HG11  VAL  20          HG11      VAL  20   6.290   1.279  -1.043
  153   HG12  VAL  20          HG12      VAL  20   7.532   0.167  -1.620
  154   HG13  VAL  20          HG13      VAL  20   6.422  -0.338  -0.344
  155   HG21  VAL  20          HG21      VAL  20   3.859   0.872  -1.700
  156   HG22  VAL  20          HG22      VAL  20   4.045  -0.655  -0.835
  157   HG23  VAL  20          HG23      VAL  20   3.452  -0.651  -2.494
  158    H    SER  21           HN       SER  21   7.548  -1.072  -4.559
  159    HA   SER  21           HA       SER  21   9.841   0.252  -3.663
  160    HB2  SER  21           HB2      SER  21  11.078  -1.118  -5.277
  161    HB3  SER  21           HB1      SER  21   9.842  -2.103  -4.501
  162    HG   SER  21           HG       SER  21   8.538  -1.582  -6.419
  163    H    GLU  22           HN       GLU  22   8.313   0.343  -6.826
  164    HA   GLU  22           HA       GLU  22   9.968   2.127  -8.127
  165    HB2  GLU  22           HB2      GLU  22   6.994   1.695  -8.411
  166    HB3  GLU  22           HB1      GLU  22   7.965   2.624  -9.553
  167    HG2  GLU  22           HG2      GLU  22   9.339   0.596  -9.948
  168    HG3  GLU  22           HG1      GLU  22   8.236  -0.305  -8.908
  169    H    GLU  23           HN       GLU  23   7.010   2.935  -6.304
  170    HA   GLU  23           HA       GLU  23   7.369   5.717  -6.959
  171    HB2  GLU  23           HB2      GLU  23   5.270   4.350  -5.264
  172    HB3  GLU  23           HB1      GLU  23   5.237   6.039  -5.712
  173    HG2  GLU  23           HG2      GLU  23   5.077   3.686  -7.580
  174    HG3  GLU  23           HG1      GLU  23   3.782   4.809  -7.174
  175    H    SER  24           HN       SER  24   8.324   3.716  -4.342
  176    HA   SER  24           HA       SER  24   8.529   5.972  -2.517
  177    HB2  SER  24           HB2      SER  24   9.389   4.338  -0.898
  178    HB3  SER  24           HB1      SER  24   7.850   3.817  -1.577
  179    HG   SER  24           HG       SER  24   8.834   2.258  -2.699
  180    H    GLY  25           HN       GLY  25  10.551   3.890  -4.477
  181    HA2  GLY  25           HA2      GLY  25  12.650   4.636  -5.388
  182    HA3  GLY  25           HA1      GLY  25  12.811   5.732  -4.018
  183    H    ILE  26           HN       ILE  26  11.692   2.923  -2.762
  184    HA   ILE  26           HA       ILE  26  14.366   2.153  -1.868
  185    HB   ILE  26           HB       ILE  26  11.854   0.844  -0.893
  186   HG12  ILE  26          HG12      ILE  26  12.895   3.397   0.356
  187   HG13  ILE  26          HG11      ILE  26  11.630   3.419  -0.882
  188   HG21  ILE  26          HG21      ILE  26  13.975  -0.050  -0.164
  189   HG22  ILE  26          HG22      ILE  26  13.147   0.704   1.199
  190   HG23  ILE  26          HG23      ILE  26  14.483   1.541   0.405
  191   HD11  ILE  26          HD11      ILE  26  10.180   2.112   0.538
  192   HD12  ILE  26          HD12      ILE  26  10.762   3.518   1.432
  193   HD13  ILE  26          HD13      ILE  26  11.462   1.927   1.733
  194    H    ALA  27           HN       ALA  27  15.370   0.479  -2.784
  195    HA   ALA  27           HA       ALA  27  14.339  -1.130  -4.790
  196    HB1  ALA  27           HB1      ALA  27  16.550  -1.838  -2.864
  197    HB2  ALA  27           HB2      ALA  27  16.742  -0.823  -4.293
  198    HB3  ALA  27           HB3      ALA  27  16.292  -2.518  -4.470
  199    H    LEU  28           HN       LEU  28  13.419  -3.126  -4.881
  200    HA   LEU  28           HA       LEU  28  11.610  -3.902  -2.926
  201    HB2  LEU  28           HB2      LEU  28  11.409  -4.594  -5.228
  202    HB3  LEU  28           HB1      LEU  28  12.909  -5.491  -5.141
  203    HG   LEU  28           HG       LEU  28  11.749  -6.983  -3.429
  204   HD11  LEU  28          HD11      LEU  28   9.871  -5.548  -2.881
  205   HD12  LEU  28          HD12      LEU  28   9.296  -7.057  -3.586
  206   HD13  LEU  28          HD13      LEU  28   9.326  -5.586  -4.558
  207   HD21  LEU  28          HD21      LEU  28  10.730  -6.903  -6.263
  208   HD22  LEU  28          HD22      LEU  28  10.669  -8.298  -5.183
  209   HD23  LEU  28          HD23      LEU  28  12.226  -7.656  -5.715
  210    H    GLU  29           HN       GLU  29  14.962  -4.845  -3.356
  211    HA   GLU  29           HA       GLU  29  14.864  -7.080  -1.573
  212    HB2  GLU  29           HB2      GLU  29  17.317  -5.573  -2.458
  213    HB3  GLU  29           HB1      GLU  29  17.207  -7.242  -1.909
  214    HG2  GLU  29           HG2      GLU  29  15.805  -6.262  -4.373
  215    HG3  GLU  29           HG1      GLU  29  17.454  -6.891  -4.407
  216    H    GLU  30           HN       GLU  30  14.876  -3.757  -1.059
  217    HA   GLU  30           HA       GLU  30  16.110  -4.048   1.605
  218    HB2  GLU  30           HB2      GLU  30  15.545  -1.471   0.141
  219    HB3  GLU  30           HB1      GLU  30  16.465  -1.676   1.625
  220    HG2  GLU  30           HG2      GLU  30  17.264  -2.510  -1.139
  221    HG3  GLU  30           HG1      GLU  30  17.961  -1.224  -0.168
  222    H    LEU  31           HN       LEU  31  13.205  -4.021   0.095
  223    HA   LEU  31           HA       LEU  31  11.769  -2.250   1.817
  224    HB2  LEU  31           HB2      LEU  31  11.052  -2.845  -0.499
  225    HB3  LEU  31           HB1      LEU  31  10.682  -4.468   0.063
  226    HG   LEU  31           HG       LEU  31   9.006  -3.510   1.619
  227   HD11  LEU  31          HD11      LEU  31   9.667  -0.926   0.213
  228   HD12  LEU  31          HD12      LEU  31   9.953  -1.302   1.912
  229   HD13  LEU  31          HD13      LEU  31   8.301  -1.175   1.303
  230   HD21  LEU  31          HD21      LEU  31   8.666  -2.799  -1.289
  231   HD22  LEU  31          HD22      LEU  31   7.360  -2.924  -0.112
  232   HD23  LEU  31          HD23      LEU  31   8.301  -4.352  -0.539
  233    H    THR  32           HN       THR  32  11.937  -2.733   3.891
  234    HA   THR  32           HA       THR  32  10.984  -5.379   4.775
  235    HB   THR  32           HB       THR  32  12.456  -5.217   6.714
  236    HG1  THR  32           HG1      THR  32  13.643  -3.418   7.140
  237   HG21  THR  32          HG21      THR  32  13.504  -6.197   4.728
  238   HG22  THR  32          HG22      THR  32  14.687  -5.269   5.648
  239   HG23  THR  32          HG23      THR  32  13.991  -4.593   4.174
  240    H    ASP  33           HN       ASP  33   9.965  -5.262   7.005
  241    HA   ASP  33           HA       ASP  33   7.924  -3.286   7.002
  242    HB2  ASP  33           HB2      ASP  33   7.214  -4.276   9.120
  243    HB3  ASP  33           HB1      ASP  33   7.599  -5.532   7.948
  244    H    ASP  34           HN       ASP  34  11.094  -3.141   8.048
  245    HA   ASP  34           HA       ASP  34  10.813  -1.262  10.187
  246    HB2  ASP  34           HB2      ASP  34  13.196  -1.892   8.423
  247    HB3  ASP  34           HB1      ASP  34  13.249  -0.880   9.865
  248    H    SER  35           HN       SER  35  10.653  -1.089   6.772
  249    HA   SER  35           HA       SER  35  11.560   1.615   6.479
  250    HB2  SER  35           HB2      SER  35   9.770   0.008   4.639
  251    HB3  SER  35           HB1      SER  35  10.696   1.445   4.205
  252    HG   SER  35           HG       SER  35  12.282  -0.450   5.321
  253    H    ASN  36           HN       ASN  36  10.349   3.488   6.280
  254    HA   ASN  36           HA       ASN  36   7.552   3.274   7.183
  255    HB2  ASN  36           HB2      ASN  36   8.996   3.896   9.093
  256    HB3  ASN  36           HB1      ASN  36   9.613   5.265   8.178
  257   HD21  ASN  36          HD21      ASN  36   6.266   4.251   8.065
  258   HD22  ASN  36          HD22      ASN  36   5.636   5.625   8.912
  259    H    PHE  37           HN       PHE  37   6.254   4.187   5.728
  260    HA   PHE  37           HA       PHE  37   7.160   5.429   3.423
  261    HB2  PHE  37           HB2      PHE  37   4.469   5.312   4.744
  262    HB3  PHE  37           HB1      PHE  37   4.711   6.206   3.240
  263    HD1  PHE  37           HD1      PHE  37   5.943   4.872   1.326
  264    HD2  PHE  37           HD2      PHE  37   3.945   3.113   4.650
  265    HE1  PHE  37           HE1      PHE  37   5.678   2.770   0.053
  266    HE2  PHE  37           HE2      PHE  37   3.684   1.029   3.405
  267    HZ   PHE  37           HZ       PHE  37   4.772   0.863   1.034
  268    H    ALA  38           HN       ALA  38   6.012   6.877   6.446
  269    HA   ALA  38           HA       ALA  38   6.136   9.559   5.451
  270    HB1  ALA  38           HB1      ALA  38   4.658   8.864   7.290
  271    HB2  ALA  38           HB2      ALA  38   5.699  10.223   7.722
  272    HB3  ALA  38           HB3      ALA  38   6.080   8.599   8.301
  273    H    ASP  39           HN       ASP  39   8.367   7.382   6.996
  274    HA   ASP  39           HA       ASP  39  10.258   9.390   7.771
  275    HB2  ASP  39           HB2      ASP  39  10.183   7.229   8.941
  276    HB3  ASP  39           HB1      ASP  39  10.610   6.399   7.444
  277    H    MET  40           HN       MET  40   9.659   7.433   4.990
  278    HA   MET  40           HA       MET  40  12.193   8.035   3.735
  279    HB2  MET  40           HB2      MET  40   9.776   6.458   2.966
  280    HB3  MET  40           HB1      MET  40  10.819   7.049   1.680
  281    HG2  MET  40           HG2      MET  40  11.404   4.788   2.296
  282    HG3  MET  40           HG1      MET  40  12.723   5.892   2.662
  283    HE1  MET  40           HE1      MET  40  12.749   3.002   3.779
  284    HE2  MET  40           HE2      MET  40  13.136   3.235   5.482
  285    HE3  MET  40           HE3      MET  40  13.963   4.190   4.249
  286    H    GLY  41           HN       GLY  41   9.214   9.575   4.064
  287    HA2  GLY  41           HA2      GLY  41   8.776  11.801   3.392
  288    HA3  GLY  41           HA1      GLY  41  10.142  11.703   2.283
  289    H    ILE  42           HN       ILE  42   7.372   9.526   2.553
  290    HA   ILE  42           HA       ILE  42   6.849   9.719  -0.262
  291    HB   ILE  42           HB       ILE  42   5.313   8.378   1.987
  292   HG12  ILE  42          HG12      ILE  42   7.583   7.504   1.354
  293   HG13  ILE  42          HG11      ILE  42   6.271   6.337   1.157
  294   HG21  ILE  42          HG21      ILE  42   4.786   8.302  -0.982
  295   HG22  ILE  42          HG22      ILE  42   3.720   8.944   0.271
  296   HG23  ILE  42          HG23      ILE  42   4.059   7.215   0.199
  297   HD11  ILE  42          HD11      ILE  42   6.246   6.885  -1.265
  298   HD12  ILE  42          HD12      ILE  42   7.762   6.178  -0.709
  299   HD13  ILE  42          HD13      ILE  42   7.652   7.915  -1.001
  300    H    ASP  43           HN       ASP  43   6.015  11.519  -1.059
  301    HA   ASP  43           HA       ASP  43   4.416  13.297   0.562
  302    HB2  ASP  43           HB2      ASP  43   5.340  13.426  -2.305
  303    HB3  ASP  43           HB1      ASP  43   4.303  14.649  -1.586
  304    H    SER  44           HN       SER  44   2.525  14.353  -0.569
  305    HA   SER  44           HA       SER  44   0.325  12.708  -0.697
  306    HB2  SER  44           HB2      SER  44   0.086  15.038  -0.304
  307    HB3  SER  44           HB1      SER  44   0.866  15.450  -1.826
  308    H    LEU  45           HN       LEU  45   2.316  13.929  -3.345
  309    HA   LEU  45           HA       LEU  45   0.823  12.981  -5.502
  310    HB2  LEU  45           HB2      LEU  45   2.832  14.568  -5.487
  311    HB3  LEU  45           HB1      LEU  45   3.844  13.148  -5.386
  312    HG   LEU  45           HG       LEU  45   3.625  14.174  -7.663
  313   HD11  LEU  45          HD11      LEU  45   4.380  11.870  -7.360
  314   HD12  LEU  45          HD12      LEU  45   3.455  12.072  -8.849
  315   HD13  LEU  45          HD13      LEU  45   2.707  11.317  -7.443
  316   HD21  LEU  45          HD21      LEU  45   1.276  14.767  -7.589
  317   HD22  LEU  45          HD22      LEU  45   0.829  13.063  -7.496
  318   HD23  LEU  45          HD23      LEU  45   1.600  13.694  -8.950
  319    H    SER  46           HN       SER  46   3.720  11.458  -4.044
  320    HA   SER  46           HA       SER  46   3.577   9.126  -5.583
  321    HB2  SER  46           HB2      SER  46   5.656   9.743  -4.528
  322    HB3  SER  46           HB1      SER  46   4.923   9.655  -2.926
  323    HG   SER  46           HG       SER  46   6.149   7.732  -4.236
  324    H    SER  47           HN       SER  47   2.407   9.774  -2.294
  325    HA   SER  47           HA       SER  47   1.657   7.128  -1.738
  326    HB2  SER  47           HB2      SER  47   0.241   8.146   0.062
  327    HB3  SER  47           HB1      SER  47   1.917   8.688   0.069
  328    HG   SER  47           HG       SER  47   1.312  10.637  -0.712
  329    H    MET  48           HN       MET  48   0.043   9.648  -3.507
  330    HA   MET  48           HA       MET  48  -2.520   8.332  -3.517
  331    HB2  MET  48           HB2      MET  48  -2.204  10.827  -3.784
  332    HB3  MET  48           HB1      MET  48  -1.501  10.517  -5.354
  333    HG2  MET  48           HG2      MET  48  -3.697   9.377  -5.944
  334    HG3  MET  48           HG1      MET  48  -4.356  10.144  -4.499
  335    HE1  MET  48           HE1      MET  48  -5.657  10.608  -7.322
  336    HE2  MET  48           HE2      MET  48  -5.913  12.351  -7.285
  337    HE3  MET  48           HE3      MET  48  -6.216  11.383  -5.841
  338    H    VAL  49           HN       VAL  49   0.261   8.642  -5.617
  339    HA   VAL  49           HA       VAL  49  -0.848   7.475  -7.935
  340    HB   VAL  49           HB       VAL  49   2.005   7.793  -6.952
  341   HG11  VAL  49          HG11      VAL  49   2.798   7.098  -9.139
  342   HG12  VAL  49          HG12      VAL  49   1.149   6.756  -9.660
  343   HG13  VAL  49          HG13      VAL  49   1.888   5.792  -8.381
  344   HG21  VAL  49          HG21      VAL  49   0.483   9.149  -9.192
  345   HG22  VAL  49          HG22      VAL  49   2.159   9.458  -8.743
  346   HG23  VAL  49          HG23      VAL  49   0.861   9.855  -7.621
  347    H    ILE  50           HN       ILE  50   0.944   6.146  -5.192
  348    HA   ILE  50           HA       ILE  50   1.224   3.535  -6.060
  349    HB   ILE  50           HB       ILE  50   0.787   4.515  -3.241
  350   HG12  ILE  50          HG12      ILE  50   3.338   3.942  -4.763
  351   HG13  ILE  50          HG11      ILE  50   2.703   5.547  -4.424
  352   HG21  ILE  50          HG21      ILE  50   1.914   2.444  -2.561
  353   HG22  ILE  50          HG22      ILE  50   1.930   1.913  -4.242
  354   HG23  ILE  50          HG23      ILE  50   0.395   2.125  -3.400
  355   HD11  ILE  50          HD11      ILE  50   4.505   4.959  -2.902
  356   HD12  ILE  50          HD12      ILE  50   3.603   3.536  -2.375
  357   HD13  ILE  50          HD13      ILE  50   2.979   5.148  -2.035
  358    H    GLY  51           HN       GLY  51  -1.373   4.805  -3.938
  359    HA2  GLY  51           HA2      GLY  51  -2.878   2.403  -3.990
  360    HA3  GLY  51           HA1      GLY  51  -3.485   3.975  -3.499
  361    H    SER  52           HN       SER  52  -2.712   5.094  -6.181
  362    HA   SER  52           HA       SER  52  -5.118   4.529  -7.593
  363    HB2  SER  52           HB2      SER  52  -3.358   6.586  -7.703
  364    HB3  SER  52           HB1      SER  52  -2.870   5.681  -9.141
  365    HG   SER  52           HG       SER  52  -4.470   6.719 -10.019
  366    H    ARG  53           HN       ARG  53  -1.720   3.583  -8.095
  367    HA   ARG  53           HA       ARG  53  -2.120   2.032 -10.404
  368    HB2  ARG  53           HB2      ARG  53  -0.074   1.756  -8.215
  369    HB3  ARG  53           HB1      ARG  53  -0.040   0.829  -9.706
  370    HG2  ARG  53           HG2      ARG  53  -0.049   3.120 -10.867
  371    HG3  ARG  53           HG1      ARG  53   0.430   3.747  -9.289
  372    HD2  ARG  53           HD2      ARG  53   2.520   3.297 -10.124
  373    HD3  ARG  53           HD1      ARG  53   2.108   1.739  -9.410
  374    HE   ARG  53           HE       ARG  53   1.295   1.856 -12.146
  375   HH11  ARG  53          HH11      ARG  53   4.054   1.423 -10.035
  376   HH12  ARG  53          HH12      ARG  53   4.890   0.336 -11.098
  377   HH21  ARG  53          HH21      ARG  53   2.372   0.405 -13.564
  378   HH22  ARG  53          HH22      ARG  53   3.929  -0.233 -13.127
  379    H    PHE  54           HN       PHE  54  -2.523   1.337  -7.002
  380    HA   PHE  54           HA       PHE  54  -2.826  -1.430  -7.039
  381    HB2  PHE  54           HB2      PHE  54  -4.257   0.712  -5.452
  382    HB3  PHE  54           HB1      PHE  54  -4.565  -0.999  -5.212
  383    HD1  PHE  54           HD1      PHE  54  -1.212  -0.990  -5.980
  384    HD2  PHE  54           HD2      PHE  54  -3.885   0.287  -2.915
  385    HE1  PHE  54           HE1      PHE  54   0.601  -1.111  -4.326
  386    HE2  PHE  54           HE2      PHE  54  -2.074   0.153  -1.272
  387    HZ   PHE  54           HZ       PHE  54   0.171  -0.552  -1.977
  388    H    ARG  55           HN       ARG  55  -5.075   1.118  -7.975
  389    HA   ARG  55           HA       ARG  55  -7.270  -0.719  -8.299
  390    HB2  ARG  55           HB2      ARG  55  -7.126   2.173  -9.170
  391    HB3  ARG  55           HB1      ARG  55  -8.567   1.214  -8.891
  392    HG2  ARG  55           HG2      ARG  55  -8.099   1.126  -6.525
  393    HG3  ARG  55           HG1      ARG  55  -6.578   1.982  -6.770
  394    HD2  ARG  55           HD2      ARG  55  -9.309   3.080  -7.412
  395    HD3  ARG  55           HD1      ARG  55  -8.383   3.454  -5.959
  396    HE   ARG  55           HE       ARG  55  -6.646   4.203  -7.784
  397   HH11  ARG  55          HH11      ARG  55 -10.099   4.689  -7.768
  398   HH12  ARG  55          HH12      ARG  55 -10.035   6.195  -8.635
  399   HH21  ARG  55          HH21      ARG  55  -6.528   6.174  -8.957
  400   HH22  ARG  55          HH22      ARG  55  -8.000   7.018  -9.346
  401    H    GLU  56           HN       GLU  56  -4.934   0.915 -10.378
  402    HA   GLU  56           HA       GLU  56  -6.431   0.188 -12.750
  403    HB2  GLU  56           HB2      GLU  56  -3.869   1.732 -12.399
  404    HB3  GLU  56           HB1      GLU  56  -4.631   1.427 -13.954
  405    HG2  GLU  56           HG2      GLU  56  -6.682   2.567 -13.036
  406    HG3  GLU  56           HG1      GLU  56  -5.690   3.057 -11.663
  407    H    ASP  57           HN       ASP  57  -3.203  -0.422 -11.425
  408    HA   ASP  57           HA       ASP  57  -2.531  -2.191 -13.599
  409    HB2  ASP  57           HB2      ASP  57  -1.036  -1.412 -11.085
  410    HB3  ASP  57           HB1      ASP  57  -0.389  -2.504 -12.305
  411    H    LEU  58           HN       LEU  58  -3.288  -2.517 -10.167
  412    HA   LEU  58           HA       LEU  58  -3.043  -5.425 -10.393
  413    HB2  LEU  58           HB2      LEU  58  -3.065  -3.489  -8.127
  414    HB3  LEU  58           HB1      LEU  58  -3.687  -5.101  -7.820
  415    HG   LEU  58           HG       LEU  58  -1.535  -6.065  -8.542
  416   HD11  LEU  58          HD11      LEU  58  -0.553  -3.221  -8.678
  417   HD12  LEU  58          HD12      LEU  58  -0.844  -4.262 -10.070
  418   HD13  LEU  58          HD13      LEU  58   0.405  -4.688  -8.902
  419   HD21  LEU  58          HD21      LEU  58  -0.229  -5.332  -6.599
  420   HD22  LEU  58          HD22      LEU  58  -1.918  -5.636  -6.193
  421   HD23  LEU  58          HD23      LEU  58  -1.339  -3.978  -6.379
  422    H    GLY  59           HN       GLY  59  -5.461  -2.937  -9.859
  423    HA2  GLY  59           HA2      GLY  59  -7.733  -3.163 -10.408
  424    HA3  GLY  59           HA1      GLY  59  -7.514  -4.907 -10.479
  425    H    LEU  60           HN       LEU  60  -6.520  -2.861  -7.812
  426    HA   LEU  60           HA       LEU  60  -8.110  -4.440  -5.982
  427    HB2  LEU  60           HB2      LEU  60  -6.215  -2.152  -5.448
  428    HB3  LEU  60           HB1      LEU  60  -6.944  -3.178  -4.228
  429    HG   LEU  60           HG       LEU  60  -4.956  -4.046  -6.327
  430   HD11  LEU  60          HD11      LEU  60  -4.711  -3.745  -3.335
  431   HD12  LEU  60          HD12      LEU  60  -3.967  -2.709  -4.552
  432   HD13  LEU  60          HD13      LEU  60  -3.474  -4.397  -4.406
  433   HD21  LEU  60          HD21      LEU  60  -4.993  -6.209  -5.239
  434   HD22  LEU  60          HD22      LEU  60  -6.608  -5.797  -5.811
  435   HD23  LEU  60          HD23      LEU  60  -6.213  -5.644  -4.099
  436    H    ASP  61           HN       ASP  61  -9.996  -3.798  -5.065
  437    HA   ASP  61           HA       ASP  61 -11.077  -1.194  -5.775
  438    HB2  ASP  61           HB2      ASP  61 -12.306  -3.574  -4.361
  439    HB3  ASP  61           HB1      ASP  61 -13.162  -2.066  -4.675
  440    H    LEU  62           HN       LEU  62  -8.983  -0.833  -4.206
  441    HA   LEU  62           HA       LEU  62  -9.350  -1.045  -1.425
  442    HB2  LEU  62           HB2      LEU  62  -7.267  -0.478  -3.059
  443    HB3  LEU  62           HB1      LEU  62  -7.623   1.119  -2.445
  444    HG   LEU  62           HG       LEU  62  -5.911   0.205  -1.075
  445   HD11  LEU  62          HD11      LEU  62  -7.586   1.425   0.182
  446   HD12  LEU  62          HD12      LEU  62  -6.952   0.088   1.141
  447   HD13  LEU  62          HD13      LEU  62  -8.538  -0.047   0.381
  448   HD21  LEU  62          HD21      LEU  62  -6.207  -2.133  -1.687
  449   HD22  LEU  62          HD22      LEU  62  -7.668  -2.213  -0.703
  450   HD23  LEU  62          HD23      LEU  62  -6.104  -1.933   0.063
  451    H    GLY  63           HN       GLY  63  -9.423   1.863  -3.498
  452    HA2  GLY  63           HA2      GLY  63 -11.737   2.989  -2.527
  453    HA3  GLY  63           HA1      GLY  63 -10.448   3.559  -1.474
  454    HA   PRO  64           HA       PRO  64 -10.655   5.994  -5.514
  455    HB2  PRO  64           HB2      PRO  64 -11.916   8.257  -4.731
  456    HB3  PRO  64           HB1      PRO  64 -12.784   6.824  -5.333
  457    HG2  PRO  64           HG2      PRO  64 -12.378   7.775  -2.537
  458    HG3  PRO  64           HG1      PRO  64 -13.795   7.002  -3.262
  459    HD2  PRO  64           HD2      PRO  64 -11.924   5.727  -1.671
  460    HD3  PRO  64           HD1      PRO  64 -12.997   4.909  -2.824
  461    H    GLU  65           HN       GLU  65 -10.037   7.202  -2.208
  462    HA   GLU  65           HA       GLU  65  -7.763   8.714  -3.296
  463    HB2  GLU  65           HB2      GLU  65  -9.760   9.671  -1.231
  464    HB3  GLU  65           HB1      GLU  65  -8.256  10.501  -1.606
  465    HG2  GLU  65           HG2      GLU  65  -9.009  10.872  -3.893
  466    HG3  GLU  65           HG1      GLU  65 -10.500   9.996  -3.552
  467    H    PHE  66           HN       PHE  66  -7.514   6.206  -2.322
  468    HA   PHE  66           HA       PHE  66  -6.803   6.157   0.449
  469    HB2  PHE  66           HB2      PHE  66  -7.524   4.114  -0.641
  470    HB3  PHE  66           HB1      PHE  66  -6.266   4.268  -1.857
  471    HD1  PHE  66           HD2      PHE  66  -6.848   3.681   1.741
  472    HD2  PHE  66           HD1      PHE  66  -4.163   3.270  -1.532
  473    HE1  PHE  66           HE2      PHE  66  -5.378   2.291   3.124
  474    HE2  PHE  66           HE1      PHE  66  -2.692   1.877  -0.151
  475    HZ   PHE  66           HZ       PHE  66  -3.306   1.285   2.094
  476    H    SER  67           HN       SER  67  -5.098   7.192   1.229
  477    HA   SER  67           HA       SER  67  -2.727   7.484  -0.490
  478    HB2  SER  67           HB2      SER  67  -2.321   9.606   0.851
  479    HB3  SER  67           HB1      SER  67  -3.709   9.645  -0.240
  480    HG   SER  67           HG       SER  67  -4.991   9.841   1.417
  481    H    LEU  68           HN       LEU  68  -0.881   6.711   0.255
  482    HA   LEU  68           HA       LEU  68  -0.771   5.335   2.764
  483    HB2  LEU  68           HB2      LEU  68   1.445   5.940   0.819
  484    HB3  LEU  68           HB1      LEU  68   1.510   4.781   2.131
  485    HG   LEU  68           HG       LEU  68  -0.225   4.606  -0.326
  486   HD11  LEU  68          HD11      LEU  68   2.062   4.122  -0.816
  487   HD12  LEU  68          HD12      LEU  68   1.175   2.597  -0.733
  488   HD13  LEU  68          HD13      LEU  68   2.197   3.096   0.614
  489   HD21  LEU  68          HD21      LEU  68  -0.813   2.371   0.543
  490   HD22  LEU  68          HD22      LEU  68  -1.402   3.680   1.570
  491   HD23  LEU  68          HD23      LEU  68   0.026   2.763   2.044
  492    H    PHE  69           HN       PHE  69  -0.637   8.506   2.212
  493    HA   PHE  69           HA       PHE  69   1.654   9.106   3.872
  494    HB2  PHE  69           HB2      PHE  69   1.050  10.324   1.693
  495    HB3  PHE  69           HB1      PHE  69  -0.255  11.080   2.600
  496    HD1  PHE  69           HD1      PHE  69   2.576  10.516   4.672
  497    HD2  PHE  69           HD2      PHE  69   0.995  13.126   1.707
  498    HE1  PHE  69           HE1      PHE  69   4.118  12.286   5.417
  499    HE2  PHE  69           HE2      PHE  69   2.529  14.905   2.449
  500    HZ   PHE  69           HZ       PHE  69   4.099  14.481   4.304
  501    H    ILE  70           HN       ILE  70  -1.719   8.655   4.135
  502    HA   ILE  70           HA       ILE  70  -1.698   9.898   6.810
  503    HB   ILE  70           HB       ILE  70  -3.958  10.139   4.791
  504   HG12  ILE  70          HG12      ILE  70  -2.134  12.219   6.011
  505   HG13  ILE  70          HG11      ILE  70  -2.113  11.668   4.342
  506   HG21  ILE  70          HG21      ILE  70  -5.144  11.428   6.457
  507   HG22  ILE  70          HG22      ILE  70  -3.835  11.195   7.616
  508   HG23  ILE  70          HG23      ILE  70  -4.792   9.814   7.075
  509   HD11  ILE  70          HD11      ILE  70  -4.365  13.154   5.677
  510   HD12  ILE  70          HD12      ILE  70  -4.363  12.570   4.013
  511   HD13  ILE  70          HD13      ILE  70  -3.217  13.815   4.510
  512    H    ASP  71           HN       ASP  71  -3.016   7.466   4.634
  513    HA   ASP  71           HA       ASP  71  -4.679   6.382   6.790
  514    HB2  ASP  71           HB2      ASP  71  -5.298   6.810   4.224
  515    HB3  ASP  71           HB1      ASP  71  -4.705   5.163   4.083
  516    H    CYS  72           HN       CYS  72  -1.648   6.040   5.706
  517    HA   CYS  72           HA       CYS  72  -1.348   3.416   6.892
  518    HB2  CYS  72           HB2      CYS  72  -0.433   4.046   4.077
  519    HB3  CYS  72           HB1      CYS  72   0.105   2.647   4.998
  520    HG   CYS  72           HG       CYS  72  -3.186   2.733   4.969
  521    H    THR  73           HN       THR  73   0.938   2.983   7.393
  522    HA   THR  73           HA       THR  73   2.472   5.486   7.608
  523    HB   THR  73           HB       THR  73   3.019   4.838   9.947
  524    HG1  THR  73           HG1      THR  73   0.932   3.088  10.225
  525   HG21  THR  73          HG21      THR  73   0.105   5.093   9.216
  526   HG22  THR  73          HG22      THR  73   1.226   6.394   9.641
  527   HG23  THR  73          HG23      THR  73   0.716   5.234  10.868
  528    H    THR  74           HN       THR  74   3.042   2.126   8.730
  529    HA   THR  74           HA       THR  74   5.666   2.209   7.468
  530    HB   THR  74           HB       THR  74   6.090   0.079   8.615
  531    HG1  THR  74           HG1      THR  74   4.470  -0.807   9.955
  532   HG21  THR  74          HG21      THR  74   4.842   2.143  10.436
  533   HG22  THR  74          HG22      THR  74   6.485   2.208   9.796
  534   HG23  THR  74          HG23      THR  74   6.021   0.918  10.909
  535    H    VAL  75           HN       VAL  75   6.150  -0.390   6.776
  536    HA   VAL  75           HA       VAL  75   4.732  -0.530   4.279
  537    HB   VAL  75           HB       VAL  75   6.552  -2.712   5.162
  538   HG11  VAL  75          HG11      VAL  75   6.098  -1.260   2.564
  539   HG12  VAL  75          HG12      VAL  75   5.567  -2.890   2.986
  540   HG13  VAL  75          HG13      VAL  75   7.287  -2.540   2.800
  541   HG21  VAL  75          HG21      VAL  75   7.468   0.061   4.431
  542   HG22  VAL  75          HG22      VAL  75   8.508  -1.365   4.441
  543   HG23  VAL  75          HG23      VAL  75   7.765  -0.806   5.939
  544    H    ARG  76           HN       ARG  76   5.088  -2.517   7.183
  545    HA   ARG  76           HA       ARG  76   3.433  -4.623   6.417
  546    HB2  ARG  76           HB2      ARG  76   4.863  -4.786   8.370
  547    HB3  ARG  76           HB1      ARG  76   3.940  -3.522   9.180
  548    HG2  ARG  76           HG2      ARG  76   1.996  -4.949   9.281
  549    HG3  ARG  76           HG1      ARG  76   2.814  -6.186   8.329
  550    HD2  ARG  76           HD2      ARG  76   3.734  -5.221  11.022
  551    HD3  ARG  76           HD1      ARG  76   2.747  -6.659  10.769
  552    HE   ARG  76           HE       ARG  76   4.711  -7.363   9.272
  553   HH11  ARG  76          HH11      ARG  76   5.042  -5.464  12.188
  554   HH12  ARG  76          HH12      ARG  76   6.621  -6.084  12.561
  555   HH21  ARG  76          HH21      ARG  76   6.776  -8.187   9.760
  556   HH22  ARG  76          HH22      ARG  76   7.607  -7.619  11.183
  557    H    ALA  77           HN       ALA  77   2.660  -1.466   7.732
  558    HA   ALA  77           HA       ALA  77  -0.003  -1.838   8.426
  559    HB1  ALA  77           HB1      ALA  77   1.227   0.213   8.930
  560    HB2  ALA  77           HB2      ALA  77  -0.288   0.564   8.099
  561    HB3  ALA  77           HB3      ALA  77   1.238   0.638   7.218
  562    H    LEU  78           HN       LEU  78   1.432  -1.279   5.256
  563    HA   LEU  78           HA       LEU  78  -1.053  -1.015   3.844
  564    HB2  LEU  78           HB2      LEU  78   1.556  -0.483   3.288
  565    HB3  LEU  78           HB1      LEU  78   1.351  -1.995   2.436
  566    HG   LEU  78           HG       LEU  78  -0.446   0.375   1.998
  567   HD11  LEU  78          HD11      LEU  78   0.977   0.749  -0.018
  568   HD12  LEU  78          HD12      LEU  78   2.135  -0.400   0.660
  569   HD13  LEU  78          HD13      LEU  78   1.772   1.098   1.515
  570   HD21  LEU  78          HD21      LEU  78  -1.335  -1.739   1.182
  571   HD22  LEU  78          HD22      LEU  78   0.171  -2.049   0.317
  572   HD23  LEU  78          HD23      LEU  78  -0.857  -0.697  -0.159
  573    H    LYS  79           HN       LYS  79   1.314  -3.534   4.391
  574    HA   LYS  79           HA       LYS  79   0.287  -5.624   2.899
  575    HB2  LYS  79           HB2      LYS  79   1.606  -5.772   5.599
  576    HB3  LYS  79           HB1      LYS  79   1.508  -7.078   4.415
  577    HG2  LYS  79           HG2      LYS  79   2.732  -4.506   3.567
  578    HG3  LYS  79           HG1      LYS  79   3.666  -5.542   4.642
  579    HD2  LYS  79           HD2      LYS  79   4.337  -6.463   2.689
  580    HD3  LYS  79           HD1      LYS  79   2.826  -7.359   2.852
  581    HE2  LYS  79           HE2      LYS  79   3.019  -4.740   1.380
  582    HE3  LYS  79           HE1      LYS  79   3.282  -6.300   0.594
  583    HZ1  LYS  79           HZ1      LYS  79   1.015  -5.651   0.270
  584    HZ2  LYS  79           HZ2      LYS  79   0.788  -5.371   1.919
  585    HZ3  LYS  79           HZ3      LYS  79   1.028  -6.947   1.357
  586    H    ASP  80           HN       ASP  80  -0.256  -5.197   6.406
  587    HA   ASP  80           HA       ASP  80  -2.283  -7.119   6.592
  588    HB2  ASP  80           HB2      ASP  80  -1.266  -6.312   8.624
  589    HB3  ASP  80           HB1      ASP  80  -1.831  -4.670   8.306
  590    H    PHE  81           HN       PHE  81  -2.463  -3.727   5.773
  591    HA   PHE  81           HA       PHE  81  -5.164  -3.195   6.097
  592    HB2  PHE  81           HB2      PHE  81  -3.151  -1.695   5.298
  593    HB3  PHE  81           HB1      PHE  81  -3.717  -2.139   3.694
  594    HD1  PHE  81           HD2      PHE  81  -6.192  -1.672   3.157
  595    HD2  PHE  81           HD1      PHE  81  -4.097   0.074   6.426
  596    HE1  PHE  81           HE2      PHE  81  -7.891   0.105   3.290
  597    HE2  PHE  81           HE1      PHE  81  -5.793   1.854   6.570
  598    HZ   PHE  81           HZ       PHE  81  -7.688   1.870   4.999
  599    H    MET  82           HN       MET  82  -3.512  -4.721   3.396
  600    HA   MET  82           HA       MET  82  -5.552  -4.848   1.518
  601    HB2  MET  82           HB2      MET  82  -3.460  -6.946   2.017
  602    HB3  MET  82           HB1      MET  82  -4.325  -6.658   0.511
  603    HG2  MET  82           HG2      MET  82  -3.320  -4.394   0.419
  604    HG3  MET  82           HG1      MET  82  -2.377  -4.803   1.849
  605    HE1  MET  82           HE1      MET  82  -2.766  -4.917  -1.875
  606    HE2  MET  82           HE2      MET  82  -1.078  -5.214  -2.288
  607    HE3  MET  82           HE3      MET  82  -1.503  -3.861  -1.236
  608    H    LEU  83           HN       LEU  83  -4.918  -7.005   4.236
  609    HA   LEU  83           HA       LEU  83  -7.212  -8.649   3.506
  610    HB2  LEU  83           HB2      LEU  83  -5.227  -8.960   5.772
  611    HB3  LEU  83           HB1      LEU  83  -6.483 -10.105   5.373
  612    HG   LEU  83           HG       LEU  83  -5.308 -10.378   3.114
  613   HD11  LEU  83          HD11      LEU  83  -3.927  -8.379   3.203
  614   HD12  LEU  83          HD12      LEU  83  -2.936  -9.831   3.050
  615   HD13  LEU  83          HD13      LEU  83  -3.077  -9.019   4.609
  616   HD21  LEU  83          HD21      LEU  83  -5.210 -12.098   4.838
  617   HD22  LEU  83          HD22      LEU  83  -3.894 -11.239   5.640
  618   HD23  LEU  83          HD23      LEU  83  -3.643 -11.940   4.041
  619    H    GLY  84           HN       GLY  84  -6.066  -6.532   6.074
  620    HA2  GLY  84           HA2      GLY  84  -7.375  -5.222   7.521
  621    HA3  GLY  84           HA1      GLY  84  -8.811  -6.037   6.912
  622    H    SER  85           HN       SER  85  -5.857  -7.419   8.332
  623    HA   SER  85           HA       SER  85  -7.579  -9.073   9.983
  624    HB2  SER  85           HB2      SER  85  -5.721 -10.018   8.527
  625    HB3  SER  85           HB1      SER  85  -4.588  -9.294   9.665
  626    HG   SER  85           HG       SER  85  -6.231 -10.601  11.175
  627    H    GLY  86           HN       GLY  86  -6.395  -6.212  10.291
  628    HA2  GLY  86           HA2      GLY  86  -5.606  -6.409  13.103
  629    HA3  GLY  86           HA1      GLY  86  -5.592  -4.947  12.124
  630    H    ASP  87           HN       ASP  87  -8.295  -5.612  11.099
  631    HA   ASP  87           HA       ASP  87 -10.381  -4.779  11.430
  632    HB2  ASP  87           HB2      ASP  87 -10.251  -6.958  12.867
  633    HB3  ASP  87           HB1      ASP  87 -10.298  -5.850  14.237
  634    H    ALA  88           HN       ALA  88  -8.386  -2.922  11.863
  635    HA   ALA  88           HA       ALA  88  -8.790  -1.499  14.313
  636    HB1  ALA  88           HB1      ALA  88  -7.456  -0.603  11.762
  637    HB2  ALA  88           HB2      ALA  88  -6.661  -1.438  13.095
  638    HB3  ALA  88           HB3      ALA  88  -7.325   0.177  13.337
  639    H    GLY  89           HN       GLY  89 -10.345  -1.604  11.255
  640    HA2  GLY  89           HA2      GLY  89 -12.478   0.024  12.111
  641    HA3  GLY  89           HA1      GLY  89 -11.421   0.955  11.058
  642   H282  PNS  90          H28A      PNS  44  -0.911  15.790  -4.967
  643   H281  PNS  90          H28B      PNS  44  -1.836  14.304  -4.738
  644   H303  PNS  90          H30A      PNS  44  -3.319  17.449  -7.168
  645   H302  PNS  90          H30B      PNS  44  -1.743  17.566  -6.384
  646   H301  PNS  90          H30C      PNS  44  -3.218  17.631  -5.420
  647   H313  PNS  90          H31A      PNS  44  -1.049  15.481  -7.460
  648   H312  PNS  90          H31B      PNS  44  -2.619  15.212  -8.219
  649   H311  PNS  90          H31C      PNS  44  -1.928  13.980  -7.164
  650    H32  PNS  90          H32A      PNS  44  -4.114  14.046  -5.986
  651    H33  PNS  90          H33A      PNS  44  -4.058  15.749  -4.128
  652    H36  PNS  90          H36A      PNS  44  -6.567  15.835  -5.885
  653   H372  PNS  90          H37A      PNS  44  -7.344  17.408  -7.808
  654   H371  PNS  90          H37B      PNS  44  -7.066  15.956  -8.771
  655   H382  PNS  90          H38A      PNS  44  -8.931  16.111  -6.407
  656   H381  PNS  90          H38B      PNS  44  -9.430  16.293  -8.085
  657    H41  PNS  90          H41A      PNS  44 -10.606  14.462  -6.610
  658   H422  PNS  90          H42A      PNS  44 -10.113  12.008  -8.008
  659   H421  PNS  90          H42B      PNS  44  -9.758  11.912  -6.283
  660   H431  PNS  90          H43A      PNS  44 -11.999  11.172  -6.585
  661   H432  PNS  90          H43B      PNS  44 -12.388  12.569  -7.587
  662    H44  PNS  90           H1       PNS  44 -11.728  12.648  -4.229
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  -9.862 -11.898  13.508
    2    H2   ALA   1           HT2      ALA   1  -9.433 -12.891  14.813
    3    H3   ALA   1           HT3      ALA   1 -10.805 -11.896  14.917
    4    HA   ALA   1           HA       ALA   1 -10.431 -14.219  13.115
    5    HB1  ALA   1           HB1      ALA   1 -12.341 -13.838  15.418
    6    HB2  ALA   1           HB2      ALA   1 -10.866 -14.803  15.467
    7    HB3  ALA   1           HB3      ALA   1 -12.191 -15.273  14.401
    8    H    MET   2           HN       MET   2 -12.360 -14.799  11.935
    9    HA   MET   2           HA       MET   2 -14.076 -14.399  10.514
   10    HB2  MET   2           HB2      MET   2 -14.559 -11.956  12.229
   11    HB3  MET   2           HB1      MET   2 -15.607 -12.461  10.913
   12    HG2  MET   2           HG2      MET   2 -16.116 -14.526  12.064
   13    HG3  MET   2           HG1      MET   2 -14.994 -14.108  13.356
   14    HE1  MET   2           HE1      MET   2 -18.901 -11.792  12.505
   15    HE2  MET   2           HE2      MET   2 -18.403 -13.223  11.604
   16    HE3  MET   2           HE3      MET   2 -17.484 -11.724  11.453
   17    H    ALA   3           HN       ALA   3 -14.629 -13.069   8.630
   18    HA   ALA   3           HA       ALA   3 -12.901 -10.820   8.075
   19    HB1  ALA   3           HB1      ALA   3 -11.857 -11.757   6.112
   20    HB2  ALA   3           HB2      ALA   3 -12.706 -13.283   6.350
   21    HB3  ALA   3           HB3      ALA   3 -11.487 -12.765   7.512
   22    H    LYS   4           HN       LYS   4 -13.810  -9.424   6.765
   23    HA   LYS   4           HA       LYS   4 -15.673 -10.217   4.697
   24    HB2  LYS   4           HB2      LYS   4 -17.110  -9.902   6.696
   25    HB3  LYS   4           HB1      LYS   4 -16.505  -8.262   6.858
   26    HG2  LYS   4           HG2      LYS   4 -17.501  -7.664   4.718
   27    HG3  LYS   4           HG1      LYS   4 -18.071  -9.322   4.506
   28    HD2  LYS   4           HD2      LYS   4 -19.621  -9.126   6.244
   29    HD3  LYS   4           HD1      LYS   4 -18.828  -7.698   6.911
   30    HE2  LYS   4           HE2      LYS   4 -20.916  -7.128   5.768
   31    HE3  LYS   4           HE1      LYS   4 -19.517  -6.383   5.002
   32    HZ1  LYS   4           HZ1      LYS   4 -21.017  -8.763   4.038
   33    HZ2  LYS   4           HZ2      LYS   4 -19.575  -8.198   3.339
   34    HZ3  LYS   4           HZ3      LYS   4 -20.961  -7.226   3.325
   35    H    GLY   5           HN       GLY   5 -12.995  -9.000   5.062
   36    HA2  GLY   5           HA2      GLY   5 -13.424  -6.339   3.875
   37    HA3  GLY   5           HA1      GLY   5 -11.945  -6.858   4.675
   38    H    VAL   6           HN       VAL   6 -10.595  -6.401   2.949
   39    HA   VAL   6           HA       VAL   6 -11.113  -7.397   0.316
   40    HB   VAL   6           HB       VAL   6  -8.477  -6.467   1.441
   41   HG11  VAL   6          HG11      VAL   6  -9.472  -6.619  -1.400
   42   HG12  VAL   6          HG12      VAL   6  -8.303  -7.709  -0.655
   43   HG13  VAL   6          HG13      VAL   6  -7.900  -6.007  -0.880
   44   HG21  VAL   6          HG21      VAL   6 -10.629  -4.877   0.061
   45   HG22  VAL   6          HG22      VAL   6  -9.039  -4.270   0.512
   46   HG23  VAL   6          HG23      VAL   6 -10.183  -4.759   1.762
   47    H    GLY   7           HN       GLY   7  -8.195  -8.132   2.231
   48    HA2  GLY   7           HA2      GLY   7  -7.222 -10.174   2.759
   49    HA3  GLY   7           HA1      GLY   7  -8.730 -10.952   2.294
   50    H    VAL   8           HN       VAL   8  -5.626  -9.821   1.165
   51    HA   VAL   8           HA       VAL   8  -6.216 -10.822  -1.530
   52    HB   VAL   8           HB       VAL   8  -4.340  -9.586  -2.345
   53   HG11  VAL   8          HG11      VAL   8  -6.356  -8.262  -1.886
   54   HG12  VAL   8          HG12      VAL   8  -4.875  -7.314  -1.777
   55   HG13  VAL   8          HG13      VAL   8  -5.697  -7.834  -0.310
   56   HG21  VAL   8          HG21      VAL   8  -3.603  -9.061   0.525
   57   HG22  VAL   8          HG22      VAL   8  -2.805  -8.361  -0.887
   58   HG23  VAL   8          HG23      VAL   8  -2.743 -10.105  -0.609
   59    H    SER   9           HN       SER   9  -4.615 -12.191  -2.598
   60    HA   SER   9           HA       SER   9  -3.535 -14.156  -0.783
   61    HB2  SER   9           HB2      SER   9  -4.722 -14.706  -2.959
   62    HB3  SER   9           HB1      SER   9  -3.300 -14.094  -3.800
   63    HG   SER   9           HG       SER   9  -3.165 -16.141  -1.832
   64    H    ASN  10           HN       ASN  10  -1.246 -15.039  -1.890
   65    HA   ASN  10           HA       ASN  10   0.577 -13.099  -0.845
   66    HB2  ASN  10           HB2      ASN  10   0.883 -15.523  -0.488
   67    HB3  ASN  10           HB1      ASN  10   1.156 -15.736  -2.212
   68   HD21  ASN  10          HD21      ASN  10   2.343 -13.109  -0.171
   69   HD22  ASN  10          HD22      ASN  10   4.019 -13.474  -0.378
   70    H    GLU  11           HN       GLU  11  -0.602 -13.863  -3.964
   71    HA   GLU  11           HA       GLU  11   1.693 -12.934  -5.397
   72    HB2  GLU  11           HB2      GLU  11   0.095 -14.529  -6.404
   73    HB3  GLU  11           HB1      GLU  11  -1.124 -13.250  -6.443
   74    HG2  GLU  11           HG2      GLU  11   0.635 -11.924  -7.758
   75    HG3  GLU  11           HG1      GLU  11   1.439 -13.475  -7.967
   76    H    LYS  12           HN       LYS  12  -1.440 -11.568  -4.474
   77    HA   LYS  12           HA       LYS  12  -1.016  -9.026  -5.659
   78    HB2  LYS  12           HB2      LYS  12  -3.077 -10.317  -4.278
   79    HB3  LYS  12           HB1      LYS  12  -2.626  -8.994  -3.213
   80    HG2  LYS  12           HG2      LYS  12  -4.424  -8.238  -4.605
   81    HG3  LYS  12           HG1      LYS  12  -2.949  -7.418  -5.126
   82    HD2  LYS  12           HD2      LYS  12  -2.802  -8.640  -7.084
   83    HD3  LYS  12           HD1      LYS  12  -3.794  -9.966  -6.462
   84    HE2  LYS  12           HE2      LYS  12  -5.772  -8.537  -6.589
   85    HE3  LYS  12           HE1      LYS  12  -4.787  -7.190  -7.166
   86    HZ1  LYS  12           HZ1      LYS  12  -5.826  -8.218  -9.031
   87    HZ2  LYS  12           HZ2      LYS  12  -5.313  -9.764  -8.562
   88    HZ3  LYS  12           HZ3      LYS  12  -4.181  -8.625  -9.092
   89    H    LEU  13           HN       LEU  13  -0.100 -10.538  -2.684
   90    HA   LEU  13           HA       LEU  13   0.768  -8.223  -1.290
   91    HB2  LEU  13           HB2      LEU  13   0.263 -10.629  -0.442
   92    HB3  LEU  13           HB1      LEU  13   1.924 -10.979  -0.885
   93    HG   LEU  13           HG       LEU  13   2.535  -9.007   0.621
   94   HD11  LEU  13          HD11      LEU  13   0.320  -8.047   0.788
   95   HD12  LEU  13          HD12      LEU  13   0.904  -8.525   2.384
   96   HD13  LEU  13          HD13      LEU  13  -0.281  -9.525   1.539
   97   HD21  LEU  13          HD21      LEU  13   2.451 -10.424   2.631
   98   HD22  LEU  13          HD22      LEU  13   2.995 -11.314   1.208
   99   HD23  LEU  13          HD23      LEU  13   1.346 -11.515   1.793
  100    H    ASP  14           HN       ASP  14   2.212 -10.264  -3.726
  101    HA   ASP  14           HA       ASP  14   4.871  -9.194  -3.325
  102    HB2  ASP  14           HB2      ASP  14   3.916 -11.523  -4.413
  103    HB3  ASP  14           HB1      ASP  14   4.311 -10.598  -5.847
  104    H    ALA  15           HN       ALA  15   2.043  -8.591  -5.210
  105    HA   ALA  15           HA       ALA  15   3.376  -7.140  -7.293
  106    HB1  ALA  15           HB1      ALA  15   1.176  -6.653  -8.130
  107    HB2  ALA  15           HB2      ALA  15   0.446  -7.112  -6.595
  108    HB3  ALA  15           HB3      ALA  15   1.217  -8.336  -7.603
  109    H    VAL  16           HN       VAL  16   1.700  -6.344  -4.309
  110    HA   VAL  16           HA       VAL  16   1.577  -3.580  -4.678
  111    HB   VAL  16           HB       VAL  16   0.313  -4.518  -2.867
  112   HG11  VAL  16          HG11      VAL  16   1.347  -5.524  -0.888
  113   HG12  VAL  16          HG12      VAL  16   2.946  -5.309  -1.601
  114   HG13  VAL  16          HG13      VAL  16   1.792  -6.418  -2.342
  115   HG21  VAL  16          HG21      VAL  16   1.052  -2.231  -2.534
  116   HG22  VAL  16          HG22      VAL  16   2.567  -2.791  -1.826
  117   HG23  VAL  16          HG23      VAL  16   1.040  -3.074  -0.984
  118    H    MET  17           HN       MET  17   4.088  -5.623  -3.304
  119    HA   MET  17           HA       MET  17   5.685  -3.589  -2.266
  120    HB2  MET  17           HB2      MET  17   6.561  -6.312  -3.268
  121    HB3  MET  17           HB1      MET  17   7.500  -5.237  -2.255
  122    HG2  MET  17           HG2      MET  17   5.753  -5.381  -0.529
  123    HG3  MET  17           HG1      MET  17   4.925  -6.568  -1.532
  124    HE1  MET  17           HE1      MET  17   7.582  -9.475  -1.629
  125    HE2  MET  17           HE2      MET  17   7.434  -8.139  -2.768
  126    HE3  MET  17           HE3      MET  17   5.985  -8.953  -2.172
  127    H    ARG  18           HN       ARG  18   5.642  -5.003  -5.535
  128    HA   ARG  18           HA       ARG  18   7.998  -3.590  -6.281
  129    HB2  ARG  18           HB2      ARG  18   7.382  -4.224  -8.625
  130    HB3  ARG  18           HB1      ARG  18   7.618  -5.556  -7.505
  131    HG2  ARG  18           HG2      ARG  18   5.307  -5.987  -7.377
  132    HG3  ARG  18           HG1      ARG  18   4.905  -4.454  -8.158
  133    HD2  ARG  18           HD2      ARG  18   5.765  -5.210 -10.249
  134    HD3  ARG  18           HD1      ARG  18   6.488  -6.632  -9.504
  135    HE   ARG  18           HE       ARG  18   4.128  -7.368  -9.075
  136   HH11  ARG  18          HH11      ARG  18   4.865  -5.163 -11.695
  137   HH12  ARG  18          HH12      ARG  18   3.557  -5.716 -12.705
  138   HH21  ARG  18          HH21      ARG  18   2.420  -8.117 -10.387
  139   HH22  ARG  18          HH22      ARG  18   2.168  -7.415 -11.960
  140    H    VAL  19           HN       VAL  19   4.565  -2.816  -6.347
  141    HA   VAL  19           HA       VAL  19   4.861  -0.560  -8.096
  142    HB   VAL  19           HB       VAL  19   2.676  -1.322  -6.131
  143   HG11  VAL  19          HG11      VAL  19   2.789   1.027  -8.011
  144   HG12  VAL  19          HG12      VAL  19   2.639   1.068  -6.257
  145   HG13  VAL  19          HG13      VAL  19   1.321   0.440  -7.245
  146   HG21  VAL  19          HG21      VAL  19   1.393  -1.853  -8.111
  147   HG22  VAL  19          HG22      VAL  19   2.924  -2.723  -8.155
  148   HG23  VAL  19          HG23      VAL  19   2.700  -1.287  -9.150
  149    H    VAL  20           HN       VAL  20   5.057  -1.223  -4.722
  150    HA   VAL  20           HA       VAL  20   5.389   1.457  -3.831
  151    HB   VAL  20           HB       VAL  20   5.935  -1.265  -2.618
  152   HG11  VAL  20          HG11      VAL  20   6.455   1.370  -1.244
  153   HG12  VAL  20          HG12      VAL  20   7.714   0.290  -1.844
  154   HG13  VAL  20          HG13      VAL  20   6.639  -0.241  -0.549
  155   HG21  VAL  20          HG21      VAL  20   3.623  -0.546  -2.642
  156   HG22  VAL  20          HG22      VAL  20   4.064   0.997  -1.915
  157   HG23  VAL  20          HG23      VAL  20   4.235  -0.493  -0.990
  158    H    SER  21           HN       SER  21   7.627  -1.167  -4.722
  159    HA   SER  21           HA       SER  21  10.005   0.145  -4.139
  160    HB2  SER  21           HB2      SER  21   9.150  -2.140  -5.882
  161    HB3  SER  21           HB1      SER  21  10.796  -1.568  -5.930
  162    HG   SER  21           HG       SER  21  10.648  -1.781  -3.521
  163    H    GLU  22           HN       GLU  22   7.761   0.595  -6.718
  164    HA   GLU  22           HA       GLU  22   9.683   1.722  -8.538
  165    HB2  GLU  22           HB2      GLU  22   6.757   1.128  -8.600
  166    HB3  GLU  22           HB1      GLU  22   7.443   2.219  -9.799
  167    HG2  GLU  22           HG2      GLU  22   8.840   0.533 -10.679
  168    HG3  GLU  22           HG1      GLU  22   8.538  -0.535  -9.312
  169    H    GLU  23           HN       GLU  23   6.881   2.869  -6.676
  170    HA   GLU  23           HA       GLU  23   7.412   5.572  -7.599
  171    HB2  GLU  23           HB2      GLU  23   5.131   4.516  -5.904
  172    HB3  GLU  23           HB1      GLU  23   5.239   6.141  -6.558
  173    HG2  GLU  23           HG2      GLU  23   5.122   3.618  -8.191
  174    HG3  GLU  23           HG1      GLU  23   3.755   4.674  -7.857
  175    H    SER  24           HN       SER  24   7.706   3.692  -4.656
  176    HA   SER  24           HA       SER  24   8.250   6.062  -3.061
  177    HB2  SER  24           HB2      SER  24   8.591   3.150  -2.312
  178    HB3  SER  24           HB1      SER  24   8.565   4.539  -1.216
  179    HG   SER  24           HG       SER  24   6.360   4.559  -2.742
  180    H    GLY  25           HN       GLY  25   9.994   3.497  -4.692
  181    HA2  GLY  25           HA2      GLY  25  12.182   3.876  -5.592
  182    HA3  GLY  25           HA1      GLY  25  12.454   5.075  -4.335
  183    H    ILE  26           HN       ILE  26  11.127   2.745  -2.592
  184    HA   ILE  26           HA       ILE  26  13.689   1.780  -1.682
  185    HB   ILE  26           HB       ILE  26  11.091   0.628  -0.743
  186   HG12  ILE  26          HG12      ILE  26  12.235   3.227   0.328
  187   HG13  ILE  26          HG11      ILE  26  10.903   3.160  -0.822
  188   HG21  ILE  26          HG21      ILE  26  13.096  -0.362   0.124
  189   HG22  ILE  26          HG22      ILE  26  12.312   0.553   1.414
  190   HG23  ILE  26          HG23      ILE  26  13.724   1.218   0.593
  191   HD11  ILE  26          HD11      ILE  26  10.921   2.005   1.965
  192   HD12  ILE  26          HD12      ILE  26   9.579   1.895   0.829
  193   HD13  ILE  26          HD13      ILE  26  10.087   3.470   1.445
  194    H    ALA  27           HN       ALA  27  14.628   0.368  -3.003
  195    HA   ALA  27           HA       ALA  27  13.672  -1.430  -4.785
  196    HB1  ALA  27           HB1      ALA  27  15.973  -1.949  -2.903
  197    HB2  ALA  27           HB2      ALA  27  16.059  -0.938  -4.344
  198    HB3  ALA  27           HB3      ALA  27  15.735  -2.665  -4.497
  199    H    LEU  28           HN       LEU  28  13.033  -3.552  -4.822
  200    HA   LEU  28           HA       LEU  28  11.226  -4.381  -2.878
  201    HB2  LEU  28           HB2      LEU  28  11.219  -5.107  -5.231
  202    HB3  LEU  28           HB1      LEU  28  12.687  -6.020  -4.960
  203    HG   LEU  28           HG       LEU  28  11.332  -7.367  -3.255
  204   HD11  LEU  28          HD11      LEU  28   9.418  -5.984  -2.967
  205   HD12  LEU  28          HD12      LEU  28   8.878  -7.430  -3.820
  206   HD13  LEU  28          HD13      LEU  28   9.120  -5.919  -4.703
  207   HD21  LEU  28          HD21      LEU  28  12.064  -8.221  -5.407
  208   HD22  LEU  28          HD22      LEU  28  10.663  -7.493  -6.190
  209   HD23  LEU  28          HD23      LEU  28  10.442  -8.803  -5.029
  210    H    GLU  29           HN       GLU  29  14.648  -5.017  -3.225
  211    HA   GLU  29           HA       GLU  29  14.699  -7.208  -1.353
  212    HB2  GLU  29           HB2      GLU  29  17.053  -5.631  -2.382
  213    HB3  GLU  29           HB1      GLU  29  17.035  -7.276  -1.756
  214    HG2  GLU  29           HG2      GLU  29  15.463  -6.546  -4.195
  215    HG3  GLU  29           HG1      GLU  29  17.181  -6.935  -4.306
  216    H    GLU  30           HN       GLU  30  14.486  -3.890  -1.029
  217    HA   GLU  30           HA       GLU  30  15.881  -3.904   1.577
  218    HB2  GLU  30           HB2      GLU  30  15.049  -1.466   0.023
  219    HB3  GLU  30           HB1      GLU  30  16.129  -1.548   1.402
  220    HG2  GLU  30           HG2      GLU  30  16.674  -2.469  -1.393
  221    HG3  GLU  30           HG1      GLU  30  17.405  -1.114  -0.550
  222    H    LEU  31           HN       LEU  31  12.917  -3.881   0.060
  223    HA   LEU  31           HA       LEU  31  11.498  -2.138   1.793
  224    HB2  LEU  31           HB2      LEU  31  10.746  -2.796  -0.505
  225    HB3  LEU  31           HB1      LEU  31  10.366  -4.393   0.118
  226    HG   LEU  31           HG       LEU  31   8.738  -3.365   1.673
  227   HD11  LEU  31          HD11      LEU  31   9.388  -0.837   0.164
  228   HD12  LEU  31          HD12      LEU  31   9.772  -1.168   1.853
  229   HD13  LEU  31          HD13      LEU  31   8.089  -1.029   1.342
  230   HD21  LEU  31          HD21      LEU  31   7.077  -2.762  -0.056
  231   HD22  LEU  31          HD22      LEU  31   7.948  -4.250  -0.420
  232   HD23  LEU  31          HD23      LEU  31   8.371  -2.755  -1.253
  233    H    THR  32           HN       THR  32  11.721  -2.601   3.882
  234    HA   THR  32           HA       THR  32  11.019  -5.302   4.798
  235    HB   THR  32           HB       THR  32  12.220  -4.739   6.871
  236    HG1  THR  32           HG1      THR  32  13.164  -2.330   5.750
  237   HG21  THR  32          HG21      THR  32  13.830  -4.132   4.365
  238   HG22  THR  32          HG22      THR  32  13.601  -5.713   5.125
  239   HG23  THR  32          HG23      THR  32  14.524  -4.465   5.954
  240    H    ASP  33           HN       ASP  33   9.755  -5.346   6.883
  241    HA   ASP  33           HA       ASP  33   7.444  -3.698   6.505
  242    HB2  ASP  33           HB2      ASP  33   6.420  -4.994   8.249
  243    HB3  ASP  33           HB1      ASP  33   7.319  -6.082   7.199
  244    H    ASP  34           HN       ASP  34  10.317  -3.179   8.076
  245    HA   ASP  34           HA       ASP  34   9.214  -1.818  10.397
  246    HB2  ASP  34           HB2      ASP  34  11.130  -3.240  10.762
  247    HB3  ASP  34           HB1      ASP  34  12.054  -2.374   9.536
  248    H    SER  35           HN       SER  35  10.454  -0.985   7.253
  249    HA   SER  35           HA       SER  35  11.308   1.677   7.980
  250    HB2  SER  35           HB2      SER  35  10.544   0.777   5.180
  251    HB3  SER  35           HB1      SER  35  11.680   2.039   5.644
  252    HG   SER  35           HG       SER  35  12.801   0.153   6.739
  253    H    ASN  36           HN       ASN  36  10.313   3.636   7.418
  254    HA   ASN  36           HA       ASN  36   7.385   3.426   7.732
  255    HB2  ASN  36           HB2      ASN  36   8.827   4.215   9.694
  256    HB3  ASN  36           HB1      ASN  36   9.180   5.637   8.733
  257   HD21  ASN  36          HD21      ASN  36   6.093   3.939   8.923
  258   HD22  ASN  36          HD22      ASN  36   5.242   5.231   9.692
  259    H    PHE  37           HN       PHE  37   6.214   4.340   6.140
  260    HA   PHE  37           HA       PHE  37   7.352   5.427   3.836
  261    HB2  PHE  37           HB2      PHE  37   4.565   5.401   4.935
  262    HB3  PHE  37           HB1      PHE  37   4.931   6.326   3.480
  263    HD1  PHE  37           HD1      PHE  37   6.279   4.988   1.630
  264    HD2  PHE  37           HD2      PHE  37   3.958   3.224   4.725
  265    HE1  PHE  37           HE1      PHE  37   6.055   2.929   0.288
  266    HE2  PHE  37           HE2      PHE  37   3.723   1.181   3.409
  267    HZ   PHE  37           HZ       PHE  37   4.926   1.051   1.112
  268    H    ALA  38           HN       ALA  38   5.637   7.131   6.453
  269    HA   ALA  38           HA       ALA  38   6.072   9.716   5.371
  270    HB1  ALA  38           HB1      ALA  38   4.258   9.256   6.882
  271    HB2  ALA  38           HB2      ALA  38   5.318  10.489   7.576
  272    HB3  ALA  38           HB3      ALA  38   5.400   8.828   8.159
  273    H    ASP  39           HN       ASP  39   7.972   7.635   7.432
  274    HA   ASP  39           HA       ASP  39   9.729   9.660   8.416
  275    HB2  ASP  39           HB2      ASP  39   9.426   7.453   9.530
  276    HB3  ASP  39           HB1      ASP  39  10.239   6.691   8.164
  277    H    MET  40           HN       MET  40   9.582   7.657   5.604
  278    HA   MET  40           HA       MET  40  12.312   8.209   4.829
  279    HB2  MET  40           HB2      MET  40  10.094   6.647   3.545
  280    HB3  MET  40           HB1      MET  40  11.615   6.961   2.718
  281    HG2  MET  40           HG2      MET  40  11.585   5.760   5.446
  282    HG3  MET  40           HG1      MET  40  11.316   4.751   4.024
  283    HE1  MET  40           HE1      MET  40  13.840   6.749   6.187
  284    HE2  MET  40           HE2      MET  40  13.767   7.826   4.792
  285    HE3  MET  40           HE3      MET  40  15.243   6.925   5.132
  286    H    GLY  41           HN       GLY  41   9.307   9.711   4.479
  287    HA2  GLY  41           HA2      GLY  41   9.089  11.921   3.603
  288    HA3  GLY  41           HA1      GLY  41  10.544  11.652   2.654
  289    H    ILE  42           HN       ILE  42   7.819   9.433   2.767
  290    HA   ILE  42           HA       ILE  42   7.472   9.552  -0.068
  291    HB   ILE  42           HB       ILE  42   5.812   8.238   2.098
  292   HG12  ILE  42          HG12      ILE  42   8.120   7.409   1.717
  293   HG13  ILE  42          HG11      ILE  42   6.888   6.206   1.352
  294   HG21  ILE  42          HG21      ILE  42   4.283   8.626   0.329
  295   HG22  ILE  42          HG22      ILE  42   4.801   6.943   0.193
  296   HG23  ILE  42          HG23      ILE  42   5.476   8.161  -0.889
  297   HD11  ILE  42          HD11      ILE  42   8.684   6.205  -0.289
  298   HD12  ILE  42          HD12      ILE  42   8.357   7.900  -0.659
  299   HD13  ILE  42          HD13      ILE  42   7.149   6.665  -1.025
  300    H    ASP  43           HN       ASP  43   6.643  11.245  -1.027
  301    HA   ASP  43           HA       ASP  43   5.093  13.207   0.403
  302    HB2  ASP  43           HB2      ASP  43   6.816  13.638  -1.435
  303    HB3  ASP  43           HB1      ASP  43   5.584  13.123  -2.578
  304    H    SER  44           HN       SER  44   3.088  14.099  -0.435
  305    HA   SER  44           HA       SER  44   0.956  12.343  -0.581
  306    HB2  SER  44           HB2      SER  44   0.552  14.567   0.072
  307    HB3  SER  44           HB1      SER  44   1.318  15.226  -1.371
  308    H    LEU  45           HN       LEU  45   2.873  13.794  -3.153
  309    HA   LEU  45           HA       LEU  45   1.233  13.117  -5.326
  310    HB2  LEU  45           HB2      LEU  45   3.274  14.655  -5.301
  311    HB3  LEU  45           HB1      LEU  45   4.258  13.207  -5.386
  312    HG   LEU  45           HG       LEU  45   3.913  14.419  -7.559
  313   HD11  LEU  45          HD11      LEU  45   3.500  12.390  -8.886
  314   HD12  LEU  45          HD12      LEU  45   2.977  11.557  -7.421
  315   HD13  LEU  45          HD13      LEU  45   4.645  12.115  -7.572
  316   HD21  LEU  45          HD21      LEU  45   1.776  14.067  -8.723
  317   HD22  LEU  45          HD22      LEU  45   1.598  15.069  -7.283
  318   HD23  LEU  45          HD23      LEU  45   1.103  13.376  -7.248
  319    H    SER  46           HN       SER  46   4.169  11.402  -4.201
  320    HA   SER  46           HA       SER  46   3.829   9.186  -5.889
  321    HB2  SER  46           HB2      SER  46   5.299   9.215  -3.250
  322    HB3  SER  46           HB1      SER  46   5.603   8.164  -4.634
  323    HG   SER  46           HG       SER  46   6.729   9.690  -5.531
  324    H    SER  47           HN       SER  47   2.826   9.714  -2.543
  325    HA   SER  47           HA       SER  47   2.055   7.051  -2.034
  326    HB2  SER  47           HB2      SER  47   0.772   8.044  -0.131
  327    HB3  SER  47           HB1      SER  47   2.452   8.576  -0.208
  328    HG   SER  47           HG       SER  47   1.828  10.548  -0.693
  329    H    MET  48           HN       MET  48   0.398   9.749  -3.515
  330    HA   MET  48           HA       MET  48  -2.203   8.545  -3.470
  331    HB2  MET  48           HB2      MET  48  -1.705  11.034  -3.632
  332    HB3  MET  48           HB1      MET  48  -1.250  10.746  -5.305
  333    HG2  MET  48           HG2      MET  48  -3.546  11.571  -5.112
  334    HG3  MET  48           HG1      MET  48  -3.480   9.950  -5.806
  335    HE1  MET  48           HE1      MET  48  -6.120   9.698  -5.335
  336    HE2  MET  48           HE2      MET  48  -6.123  11.324  -4.651
  337    HE3  MET  48           HE3      MET  48  -6.845   9.988  -3.754
  338    H    VAL  49           HN       VAL  49   0.443   8.841  -5.746
  339    HA   VAL  49           HA       VAL  49  -0.790   7.741  -8.015
  340    HB   VAL  49           HB       VAL  49   2.099   7.872  -7.118
  341   HG11  VAL  49          HG11      VAL  49   1.854   5.862  -8.497
  342   HG12  VAL  49          HG12      VAL  49   2.774   7.110  -9.337
  343   HG13  VAL  49          HG13      VAL  49   1.089   6.822  -9.764
  344   HG21  VAL  49          HG21      VAL  49   2.306   9.512  -8.911
  345   HG22  VAL  49          HG22      VAL  49   1.021   9.980  -7.795
  346   HG23  VAL  49          HG23      VAL  49   0.618   9.262  -9.356
  347    H    ILE  50           HN       ILE  50   1.088   6.249  -5.396
  348    HA   ILE  50           HA       ILE  50   1.135   3.642  -6.315
  349    HB   ILE  50           HB       ILE  50   0.940   4.562  -3.440
  350   HG12  ILE  50          HG12      ILE  50   3.387   3.910  -5.099
  351   HG13  ILE  50          HG11      ILE  50   2.815   5.545  -4.785
  352   HG21  ILE  50          HG21      ILE  50   1.964   1.967  -4.595
  353   HG22  ILE  50          HG22      ILE  50   0.449   2.181  -3.719
  354   HG23  ILE  50          HG23      ILE  50   1.988   2.431  -2.891
  355   HD11  ILE  50          HD11      ILE  50   3.166   5.229  -2.410
  356   HD12  ILE  50          HD12      ILE  50   4.649   4.920  -3.313
  357   HD13  ILE  50          HD13      ILE  50   3.694   3.571  -2.700
  358    H    GLY  51           HN       GLY  51  -1.270   5.095  -4.097
  359    HA2  GLY  51           HA2      GLY  51  -2.906   2.811  -3.908
  360    HA3  GLY  51           HA1      GLY  51  -3.427   4.454  -3.576
  361    H    SER  52           HN       SER  52  -2.965   5.515  -6.198
  362    HA   SER  52           HA       SER  52  -5.322   4.734  -7.538
  363    HB2  SER  52           HB2      SER  52  -2.968   5.986  -9.007
  364    HB3  SER  52           HB1      SER  52  -4.671   6.138  -9.399
  365    HG   SER  52           HG       SER  52  -3.413   7.188  -7.065
  366    H    ARG  53           HN       ARG  53  -1.937   3.837  -8.156
  367    HA   ARG  53           HA       ARG  53  -2.412   2.204 -10.392
  368    HB2  ARG  53           HB2      ARG  53  -0.234   2.065  -8.319
  369    HB3  ARG  53           HB1      ARG  53  -0.255   1.095  -9.783
  370    HG2  ARG  53           HG2      ARG  53  -0.401   3.316 -11.028
  371    HG3  ARG  53           HG1      ARG  53   0.099   4.053  -9.502
  372    HD2  ARG  53           HD2      ARG  53   2.197   3.637 -10.293
  373    HD3  ARG  53           HD1      ARG  53   1.831   2.045  -9.628
  374    HE   ARG  53           HE       ARG  53   0.953   2.125 -12.298
  375   HH11  ARG  53          HH11      ARG  53   3.927   2.204 -10.482
  376   HH12  ARG  53          HH12      ARG  53   4.804   1.181 -11.579
  377   HH21  ARG  53          HH21      ARG  53   2.073   0.784 -13.776
  378   HH22  ARG  53          HH22      ARG  53   3.734   0.379 -13.470
  379    H    PHE  54           HN       PHE  54  -2.621   1.561  -6.947
  380    HA   PHE  54           HA       PHE  54  -2.767  -1.225  -6.913
  381    HB2  PHE  54           HB2      PHE  54  -4.214   0.889  -5.307
  382    HB3  PHE  54           HB1      PHE  54  -4.489  -0.820  -5.033
  383    HD1  PHE  54           HD1      PHE  54  -1.168  -0.760  -5.908
  384    HD2  PHE  54           HD2      PHE  54  -3.761   0.490  -2.772
  385    HE1  PHE  54           HE1      PHE  54   0.700  -0.827  -4.314
  386    HE2  PHE  54           HE2      PHE  54  -1.889   0.406  -1.183
  387    HZ   PHE  54           HZ       PHE  54   0.341  -0.269  -1.958
  388    H    ARG  55           HN       ARG  55  -5.164   1.165  -7.828
  389    HA   ARG  55           HA       ARG  55  -7.285  -0.795  -8.035
  390    HB2  ARG  55           HB2      ARG  55  -7.306   2.104  -8.894
  391    HB3  ARG  55           HB1      ARG  55  -8.703   1.072  -8.594
  392    HG2  ARG  55           HG2      ARG  55  -7.994   0.921  -6.217
  393    HG3  ARG  55           HG1      ARG  55  -6.720   2.092  -6.571
  394    HD2  ARG  55           HD2      ARG  55  -9.697   2.470  -6.615
  395    HD3  ARG  55           HD1      ARG  55  -8.482   3.371  -5.707
  396    HE   ARG  55           HE       ARG  55  -8.349   3.544  -8.612
  397   HH11  ARG  55          HH11      ARG  55  -9.331   5.036  -5.600
  398   HH12  ARG  55          HH12      ARG  55  -9.520   6.618  -6.299
  399   HH21  ARG  55          HH21      ARG  55  -8.616   5.600  -9.543
  400   HH22  ARG  55          HH22      ARG  55  -9.108   6.936  -8.544
  401    H    GLU  56           HN       GLU  56  -5.011   0.790 -10.139
  402    HA   GLU  56           HA       GLU  56  -6.495   0.151 -12.545
  403    HB2  GLU  56           HB2      GLU  56  -3.713   1.293 -12.209
  404    HB3  GLU  56           HB1      GLU  56  -4.598   1.189 -13.724
  405    HG2  GLU  56           HG2      GLU  56  -6.307   2.703 -12.775
  406    HG3  GLU  56           HG1      GLU  56  -5.311   2.862 -11.325
  407    H    ASP  57           HN       ASP  57  -3.246  -0.587 -11.340
  408    HA   ASP  57           HA       ASP  57  -2.789  -2.563 -13.357
  409    HB2  ASP  57           HB2      ASP  57  -1.224  -1.122 -11.437
  410    HB3  ASP  57           HB1      ASP  57  -0.887  -2.840 -11.267
  411    H    LEU  58           HN       LEU  58  -3.449  -2.639  -9.881
  412    HA   LEU  58           HA       LEU  58  -3.346  -5.556  -9.920
  413    HB2  LEU  58           HB2      LEU  58  -3.362  -3.500  -7.742
  414    HB3  LEU  58           HB1      LEU  58  -3.843  -5.147  -7.380
  415    HG   LEU  58           HG       LEU  58  -1.641  -5.955  -8.145
  416   HD11  LEU  58          HD11      LEU  58   0.165  -4.359  -8.573
  417   HD12  LEU  58          HD12      LEU  58  -0.987  -3.028  -8.477
  418   HD13  LEU  58          HD13      LEU  58  -1.123  -4.221  -9.770
  419   HD21  LEU  58          HD21      LEU  58  -1.479  -3.766  -6.074
  420   HD22  LEU  58          HD22      LEU  58  -0.352  -5.112  -6.262
  421   HD23  LEU  58          HD23      LEU  58  -2.023  -5.421  -5.790
  422    H    GLY  59           HN       GLY  59  -5.640  -2.941  -9.559
  423    HA2  GLY  59           HA2      GLY  59  -7.933  -3.054  -9.944
  424    HA3  GLY  59           HA1      GLY  59  -7.814  -4.806 -10.000
  425    H    LEU  60           HN       LEU  60  -6.518  -2.924  -7.351
  426    HA   LEU  60           HA       LEU  60  -8.223  -4.345  -5.497
  427    HB2  LEU  60           HB2      LEU  60  -6.282  -2.124  -4.858
  428    HB3  LEU  60           HB1      LEU  60  -6.906  -3.350  -3.767
  429    HG   LEU  60           HG       LEU  60  -5.012  -3.858  -6.066
  430   HD11  LEU  60          HD11      LEU  60  -3.371  -4.317  -4.286
  431   HD12  LEU  60          HD12      LEU  60  -4.545  -3.769  -3.086
  432   HD13  LEU  60          HD13      LEU  60  -3.916  -2.640  -4.285
  433   HD21  LEU  60          HD21      LEU  60  -6.505  -5.752  -5.601
  434   HD22  LEU  60          HD22      LEU  60  -6.009  -5.719  -3.909
  435   HD23  LEU  60          HD23      LEU  60  -4.833  -6.114  -5.165
  436    H    ASP  61           HN       ASP  61 -10.307  -3.598  -5.312
  437    HA   ASP  61           HA       ASP  61 -10.908  -0.802  -5.684
  438    HB2  ASP  61           HB2      ASP  61 -12.462  -2.570  -6.489
  439    HB3  ASP  61           HB1      ASP  61 -12.746  -3.044  -4.816
  440    H    LEU  62           HN       LEU  62  -9.582  -0.052  -4.029
  441    HA   LEU  62           HA       LEU  62  -9.968  -0.743  -1.286
  442    HB2  LEU  62           HB2      LEU  62  -8.538   1.575  -2.574
  443    HB3  LEU  62           HB1      LEU  62  -8.378   1.102  -0.895
  444    HG   LEU  62           HG       LEU  62  -7.660  -0.749  -3.152
  445   HD11  LEU  62          HD11      LEU  62  -5.860   1.195  -1.720
  446   HD12  LEU  62          HD12      LEU  62  -6.363   1.302  -3.407
  447   HD13  LEU  62          HD13      LEU  62  -5.351  -0.039  -2.870
  448   HD21  LEU  62          HD21      LEU  62  -6.879  -0.609  -0.249
  449   HD22  LEU  62          HD22      LEU  62  -6.262  -1.778  -1.418
  450   HD23  LEU  62          HD23      LEU  62  -7.970  -1.783  -0.984
  451    H    GLY  63           HN       GLY  63 -10.183   2.452  -2.797
  452    HA2  GLY  63           HA2      GLY  63 -12.794   3.067  -2.088
  453    HA3  GLY  63           HA1      GLY  63 -11.754   3.578  -0.766
  454    HA   PRO  64           HA       PRO  64 -11.727   6.694  -4.290
  455    HB2  PRO  64           HB2      PRO  64 -13.435   8.571  -3.390
  456    HB3  PRO  64           HB1      PRO  64 -13.983   7.155  -4.305
  457    HG2  PRO  64           HG2      PRO  64 -14.076   7.673  -1.373
  458    HG3  PRO  64           HG1      PRO  64 -15.268   6.868  -2.402
  459    HD2  PRO  64           HD2      PRO  64 -13.437   5.579  -0.776
  460    HD3  PRO  64           HD1      PRO  64 -14.241   4.843  -2.174
  461    H    GLU  65           HN       GLU  65 -11.302   6.774  -0.898
  462    HA   GLU  65           HA       GLU  65  -9.852   9.339  -1.087
  463    HB2  GLU  65           HB2      GLU  65 -11.256   8.213   1.348
  464    HB3  GLU  65           HB1      GLU  65 -10.489   9.795   1.213
  465    HG2  GLU  65           HG2      GLU  65 -12.123  10.471  -0.450
  466    HG3  GLU  65           HG1      GLU  65 -12.873   8.877  -0.386
  467    H    PHE  66           HN       PHE  66  -9.158   6.270  -1.157
  468    HA   PHE  66           HA       PHE  66  -7.459   5.879   1.114
  469    HB2  PHE  66           HB2      PHE  66  -8.430   3.959  -0.083
  470    HB3  PHE  66           HB1      PHE  66  -7.525   4.399  -1.529
  471    HD1  PHE  66           HD2      PHE  66  -7.291   3.027   1.855
  472    HD2  PHE  66           HD1      PHE  66  -5.197   3.907  -1.738
  473    HE1  PHE  66           HE2      PHE  66  -5.419   1.632   2.614
  474    HE2  PHE  66           HE1      PHE  66  -3.315   2.511  -0.985
  475    HZ   PHE  66           HZ       PHE  66  -3.410   1.377   1.169
  476    H    SER  67           HN       SER  67  -5.686   6.970   1.451
  477    HA   SER  67           HA       SER  67  -3.886   7.510  -0.822
  478    HB2  SER  67           HB2      SER  67  -4.313   9.426   1.476
  479    HB3  SER  67           HB1      SER  67  -3.480   9.733  -0.048
  480    HG   SER  67           HG       SER  67  -6.237   9.102   0.135
  481    H    LEU  68           HN       LEU  68  -1.926   6.599  -0.444
  482    HA   LEU  68           HA       LEU  68  -1.298   5.169   1.846
  483    HB2  LEU  68           HB2      LEU  68   0.141   6.012  -0.541
  484    HB3  LEU  68           HB1      LEU  68   1.175   5.863   0.860
  485    HG   LEU  68           HG       LEU  68   0.163   3.538   1.164
  486   HD11  LEU  68          HD11      LEU  68  -1.721   3.848  -0.384
  487   HD12  LEU  68          HD12      LEU  68  -0.712   2.462  -0.814
  488   HD13  LEU  68          HD13      LEU  68  -0.580   3.972  -1.724
  489   HD21  LEU  68          HD21      LEU  68   1.747   2.580  -0.430
  490   HD22  LEU  68          HD22      LEU  68   2.441   3.937   0.462
  491   HD23  LEU  68          HD23      LEU  68   1.911   4.160  -1.210
  492    H    PHE  69           HN       PHE  69  -0.737   8.553   1.171
  493    HA   PHE  69           HA       PHE  69   1.257   9.022   3.113
  494    HB2  PHE  69           HB2      PHE  69   0.572  10.487   1.134
  495    HB3  PHE  69           HB1      PHE  69  -0.770  11.045   2.123
  496    HD1  PHE  69           HD1      PHE  69   2.409  10.345   3.789
  497    HD2  PHE  69           HD2      PHE  69   0.056  13.313   1.835
  498    HE1  PHE  69           HE1      PHE  69   3.852  12.106   4.717
  499    HE2  PHE  69           HE2      PHE  69   1.496  15.072   2.771
  500    HZ   PHE  69           HZ       PHE  69   3.393  14.474   4.217
  501    H    ILE  70           HN       ILE  70  -2.062   8.339   3.428
  502    HA   ILE  70           HA       ILE  70  -2.044   9.377   6.190
  503    HB   ILE  70           HB       ILE  70  -4.442   9.304   4.316
  504   HG12  ILE  70          HG12      ILE  70  -2.961  11.607   5.615
  505   HG13  ILE  70          HG11      ILE  70  -2.937  11.198   3.904
  506   HG21  ILE  70          HG21      ILE  70  -4.334  10.174   7.204
  507   HG22  ILE  70          HG22      ILE  70  -5.049   8.675   6.613
  508   HG23  ILE  70          HG23      ILE  70  -5.741  10.225   6.138
  509   HD11  ILE  70          HD11      ILE  70  -4.405  13.083   4.350
  510   HD12  ILE  70          HD12      ILE  70  -5.357  12.089   5.457
  511   HD13  ILE  70          HD13      ILE  70  -5.309  11.701   3.736
  512    H    ASP  71           HN       ASP  71  -3.090   6.847   3.972
  513    HA   ASP  71           HA       ASP  71  -4.293   5.332   6.149
  514    HB2  ASP  71           HB2      ASP  71  -4.298   4.846   3.154
  515    HB3  ASP  71           HB1      ASP  71  -5.130   3.863   4.343
  516    H    CYS  72           HN       CYS  72  -1.236   5.638   5.217
  517    HA   CYS  72           HA       CYS  72  -0.573   2.878   5.795
  518    HB2  CYS  72           HB2      CYS  72   0.321   4.182   3.213
  519    HB3  CYS  72           HB1      CYS  72   0.905   2.639   3.830
  520    HG   CYS  72           HG       CYS  72  -2.262   2.254   3.811
  521    H    THR  73           HN       THR  73   0.605   3.303   7.525
  522    HA   THR  73           HA       THR  73   2.313   5.670   7.555
  523    HB   THR  73           HB       THR  73   2.587   5.051   9.989
  524    HG1  THR  73           HG1      THR  73   0.374   3.359   9.815
  525   HG21  THR  73          HG21      THR  73  -0.229   5.425   8.957
  526   HG22  THR  73          HG22      THR  73   0.936   6.700   9.308
  527   HG23  THR  73          HG23      THR  73   0.294   5.708  10.619
  528    H    THR  74           HN       THR  74   2.888   2.410   8.938
  529    HA   THR  74           HA       THR  74   5.612   2.486   7.917
  530    HB   THR  74           HB       THR  74   5.886   0.314   9.055
  531    HG1  THR  74           HG1      THR  74   3.697   0.209  10.547
  532   HG21  THR  74          HG21      THR  74   6.307   2.367  10.312
  533   HG22  THR  74          HG22      THR  74   5.642   1.117  11.362
  534   HG23  THR  74          HG23      THR  74   4.613   2.434  10.794
  535    H    VAL  75           HN       VAL  75   6.242   0.026   7.026
  536    HA   VAL  75           HA       VAL  75   4.744  -0.122   4.588
  537    HB   VAL  75           HB       VAL  75   7.189  -1.543   5.565
  538   HG11  VAL  75          HG11      VAL  75   7.309  -2.685   3.389
  539   HG12  VAL  75          HG12      VAL  75   5.675  -2.134   3.028
  540   HG13  VAL  75          HG13      VAL  75   5.957  -3.244   4.370
  541   HG21  VAL  75          HG21      VAL  75   6.565   0.266   3.234
  542   HG22  VAL  75          HG22      VAL  75   8.151  -0.446   3.575
  543   HG23  VAL  75          HG23      VAL  75   7.442   0.709   4.704
  544    H    ARG  76           HN       ARG  76   5.294  -2.190   7.399
  545    HA   ARG  76           HA       ARG  76   3.710  -4.361   6.739
  546    HB2  ARG  76           HB2      ARG  76   5.057  -4.341   8.745
  547    HB3  ARG  76           HB1      ARG  76   4.118  -3.009   9.414
  548    HG2  ARG  76           HG2      ARG  76   3.356  -4.941  10.510
  549    HG3  ARG  76           HG1      ARG  76   2.123  -4.553   9.313
  550    HD2  ARG  76           HD2      ARG  76   3.206  -6.230   7.785
  551    HD3  ARG  76           HD1      ARG  76   4.215  -6.712   9.153
  552    HE   ARG  76           HE       ARG  76   1.262  -6.876   9.189
  553   HH11  ARG  76          HH11      ARG  76   4.410  -8.195   9.940
  554   HH12  ARG  76          HH12      ARG  76   3.778  -9.644  10.655
  555   HH21  ARG  76          HH21      ARG  76   0.415  -8.758  10.129
  556   HH22  ARG  76          HH22      ARG  76   1.504  -9.961  10.767
  557    H    ALA  77           HN       ALA  77   2.798  -1.146   7.778
  558    HA   ALA  77           HA       ALA  77   0.116  -1.566   8.415
  559    HB1  ALA  77           HB1      ALA  77  -0.190   0.812   7.993
  560    HB2  ALA  77           HB2      ALA  77   1.361   0.871   7.156
  561    HB3  ALA  77           HB3      ALA  77   1.304   0.516   8.883
  562    H    LEU  78           HN       LEU  78   1.691  -1.305   5.303
  563    HA   LEU  78           HA       LEU  78  -0.784  -0.953   3.837
  564    HB2  LEU  78           HB2      LEU  78   1.810  -0.369   3.354
  565    HB3  LEU  78           HB1      LEU  78   1.670  -1.873   2.477
  566    HG   LEU  78           HG       LEU  78  -0.205   0.421   2.046
  567   HD11  LEU  78          HD11      LEU  78   1.291   0.934   0.076
  568   HD12  LEU  78          HD12      LEU  78   2.495  -0.135   0.809
  569   HD13  LEU  78          HD13      LEU  78   1.979   1.322   1.655
  570   HD21  LEU  78          HD21      LEU  78  -0.471  -0.595  -0.152
  571   HD22  LEU  78          HD22      LEU  78  -0.943  -1.698   1.156
  572   HD23  LEU  78          HD23      LEU  78   0.609  -1.908   0.334
  573    H    LYS  79           HN       LYS  79   1.661  -3.392   4.340
  574    HA   LYS  79           HA       LYS  79   0.682  -5.574   2.970
  575    HB2  LYS  79           HB2      LYS  79   1.931  -5.638   5.724
  576    HB3  LYS  79           HB1      LYS  79   1.975  -6.920   4.517
  577    HG2  LYS  79           HG2      LYS  79   3.091  -4.319   3.684
  578    HG3  LYS  79           HG1      LYS  79   3.983  -5.180   4.938
  579    HD2  LYS  79           HD2      LYS  79   4.109  -7.156   3.498
  580    HD3  LYS  79           HD1      LYS  79   3.185  -6.305   2.251
  581    HE2  LYS  79           HE2      LYS  79   4.943  -5.085   1.590
  582    HE3  LYS  79           HE1      LYS  79   5.531  -4.862   3.247
  583    HZ1  LYS  79           HZ1      LYS  79   5.829  -7.405   1.709
  584    HZ2  LYS  79           HZ2      LYS  79   6.565  -7.012   3.184
  585    HZ3  LYS  79           HZ3      LYS  79   7.022  -6.207   1.771
  586    H    ASP  80           HN       ASP  80   0.198  -4.860   6.403
  587    HA   ASP  80           HA       ASP  80  -1.627  -6.990   6.787
  588    HB2  ASP  80           HB2      ASP  80  -0.042  -5.658   8.456
  589    HB3  ASP  80           HB1      ASP  80  -1.513  -4.730   8.728
  590    H    PHE  81           HN       PHE  81  -1.995  -3.732   5.743
  591    HA   PHE  81           HA       PHE  81  -4.700  -3.303   6.406
  592    HB2  PHE  81           HB2      PHE  81  -3.262  -1.491   5.532
  593    HB3  PHE  81           HB1      PHE  81  -3.178  -2.305   3.971
  594    HD1  PHE  81           HD1      PHE  81  -5.430  -0.555   6.320
  595    HD2  PHE  81           HD2      PHE  81  -4.916  -2.096   2.383
  596    HE1  PHE  81           HE1      PHE  81  -7.436   0.663   5.585
  597    HE2  PHE  81           HE2      PHE  81  -6.925  -0.879   1.642
  598    HZ   PHE  81           HZ       PHE  81  -8.248   0.415   3.272
  599    H    MET  82           HN       MET  82  -3.130  -4.759   3.606
  600    HA   MET  82           HA       MET  82  -5.355  -5.463   2.099
  601    HB2  MET  82           HB2      MET  82  -2.890  -7.143   2.461
  602    HB3  MET  82           HB1      MET  82  -3.993  -7.162   1.093
  603    HG2  MET  82           HG2      MET  82  -3.342  -4.680   0.789
  604    HG3  MET  82           HG1      MET  82  -1.998  -5.078   1.868
  605    HE1  MET  82           HE1      MET  82  -2.620  -4.421  -1.575
  606    HE2  MET  82           HE2      MET  82  -1.057  -4.997  -2.148
  607    HE3  MET  82           HE3      MET  82  -1.143  -3.946  -0.733
  608    H    LEU  83           HN       LEU  83  -3.963  -7.116   4.890
  609    HA   LEU  83           HA       LEU  83  -5.766  -9.341   4.722
  610    HB2  LEU  83           HB2      LEU  83  -3.857  -8.417   6.876
  611    HB3  LEU  83           HB1      LEU  83  -4.825  -9.867   7.022
  612    HG   LEU  83           HG       LEU  83  -3.643 -10.748   4.969
  613   HD11  LEU  83          HD11      LEU  83  -1.852  -8.376   5.414
  614   HD12  LEU  83          HD12      LEU  83  -2.878  -8.670   4.011
  615   HD13  LEU  83          HD13      LEU  83  -1.518  -9.740   4.346
  616   HD21  LEU  83          HD21      LEU  83  -1.611 -11.363   6.165
  617   HD22  LEU  83          HD22      LEU  83  -3.003 -11.430   7.248
  618   HD23  LEU  83          HD23      LEU  83  -1.881 -10.068   7.330
  619    H    GLY  84           HN       GLY  84  -5.494  -6.459   6.780
  620    HA2  GLY  84           HA2      GLY  84  -8.245  -7.005   7.723
  621    HA3  GLY  84           HA1      GLY  84  -6.983  -6.467   8.820
  622    H    SER  85           HN       SER  85  -8.928  -5.561   6.050
  623    HA   SER  85           HA       SER  85  -8.104  -2.799   6.132
  624    HB2  SER  85           HB2      SER  85  -9.910  -2.574   4.382
  625    HB3  SER  85           HB1      SER  85  -8.596  -3.679   3.981
  626    HG   SER  85           HG       SER  85 -11.192  -4.331   4.925
  627    H    GLY  86           HN       GLY  86  -8.883  -2.823   8.578
  628    HA2  GLY  86           HA2      GLY  86 -11.182  -1.145   8.664
  629    HA3  GLY  86           HA1      GLY  86 -11.558  -2.741   9.299
  630    H    ASP  87           HN       ASP  87  -9.773   0.209   9.802
  631    HA   ASP  87           HA       ASP  87  -8.382  -0.583  12.152
  632    HB2  ASP  87           HB2      ASP  87  -9.256   2.229  11.479
  633    HB3  ASP  87           HB1      ASP  87  -7.902   1.743  12.488
  634    H    ALA  88           HN       ALA  88 -11.399   1.162  11.586
  635    HA   ALA  88           HA       ALA  88 -11.924   1.276  14.457
  636    HB1  ALA  88           HB1      ALA  88 -13.438   2.532  12.172
  637    HB2  ALA  88           HB2      ALA  88 -12.163   3.317  13.101
  638    HB3  ALA  88           HB3      ALA  88 -13.672   2.854  13.891
  639    H    GLY  89           HN       GLY  89 -12.134  -1.204  12.794
  640    HA2  GLY  89           HA2      GLY  89 -14.883  -1.821  12.447
  641    HA3  GLY  89           HA1      GLY  89 -13.563  -2.980  12.496
  642   H282  PNS  90          H28A      PNS  44  -0.645  14.849  -4.421
  643   H281  PNS  90          H28B      PNS  44  -2.210  14.053  -4.622
  644   H303  PNS  90          H30A      PNS  44  -0.190  16.995  -5.473
  645   H302  PNS  90          H30B      PNS  44  -1.540  17.665  -4.560
  646   H301  PNS  90          H30C      PNS  44  -1.465  17.885  -6.309
  647   H313  PNS  90          H31A      PNS  44  -0.498  15.105  -6.957
  648   H312  PNS  90          H31B      PNS  44  -1.836  15.870  -7.821
  649   H311  PNS  90          H31C      PNS  44  -2.055  14.286  -7.073
  650    H32  PNS  90          H32A      PNS  44  -3.898  16.474  -4.793
  651    H33  PNS  90          H33A      PNS  44  -3.464  17.131  -7.539
  652    H36  PNS  90          H36A      PNS  44  -5.414  16.261  -7.435
  653   H372  PNS  90          H37A      PNS  44  -5.578  13.656  -8.396
  654   H371  PNS  90          H37B      PNS  44  -6.667  13.776  -7.015
  655   H382  PNS  90          H38A      PNS  44  -7.775  15.701  -8.094
  656   H381  PNS  90          H38B      PNS  44  -6.732  15.493  -9.496
  657    H41  PNS  90          H41A      PNS  44  -7.033  12.487  -8.738
  658   H422  PNS  90          H42A      PNS  44  -9.745  11.857  -9.490
  659   H421  PNS  90          H42B      PNS  44  -8.538  11.510 -10.726
  660   H431  PNS  90          H43A      PNS  44  -8.624  10.395  -7.930
  661   H432  PNS  90          H43B      PNS  44  -7.326  10.111  -9.086
  662    H44  PNS  90           H1       PNS  44  -8.963   8.780 -10.931
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1 -17.298   5.198  -0.725
    2    H2   ALA   1           HT2      ALA   1 -18.746   4.911  -1.558
    3    H3   ALA   1           HT3      ALA   1 -17.504   3.748  -1.583
    4    HA   ALA   1           HA       ALA   1 -19.064   4.591   0.796
    5    HB1  ALA   1           HB1      ALA   1 -19.046   1.957  -0.686
    6    HB2  ALA   1           HB2      ALA   1 -20.326   3.169  -0.767
    7    HB3  ALA   1           HB3      ALA   1 -19.988   2.342   0.754
    8    H    MET   2           HN       MET   2 -18.629   3.100   2.648
    9    HA   MET   2           HA       MET   2 -15.793   3.006   3.038
   10    HB2  MET   2           HB2      MET   2 -16.357   2.283   5.348
   11    HB3  MET   2           HB1      MET   2 -17.156   3.774   4.875
   12    HG2  MET   2           HG2      MET   2 -18.496   1.084   4.762
   13    HG3  MET   2           HG1      MET   2 -18.551   2.138   6.174
   14    HE1  MET   2           HE1      MET   2 -18.732   5.025   4.928
   15    HE2  MET   2           HE2      MET   2 -19.754   4.465   6.252
   16    HE3  MET   2           HE3      MET   2 -20.479   5.249   4.850
   17    H    ALA   3           HN       ALA   3 -14.483   1.225   2.956
   18    HA   ALA   3           HA       ALA   3 -15.609  -1.427   3.226
   19    HB1  ALA   3           HB1      ALA   3 -15.744  -1.067   0.818
   20    HB2  ALA   3           HB2      ALA   3 -14.502  -2.260   1.200
   21    HB3  ALA   3           HB3      ALA   3 -14.039  -0.612   0.773
   22    H    LYS   4           HN       LYS   4 -14.232  -2.720   4.273
   23    HA   LYS   4           HA       LYS   4 -11.434  -1.928   4.533
   24    HB2  LYS   4           HB2      LYS   4 -12.672  -0.747   6.323
   25    HB3  LYS   4           HB1      LYS   4 -13.268  -2.290   6.912
   26    HG2  LYS   4           HG2      LYS   4 -11.218  -2.897   7.779
   27    HG3  LYS   4           HG1      LYS   4 -10.328  -1.814   6.703
   28    HD2  LYS   4           HD2      LYS   4 -11.145   0.116   7.921
   29    HD3  LYS   4           HD1      LYS   4 -12.131  -0.916   8.954
   30    HE2  LYS   4           HE2      LYS   4  -9.195  -1.404   8.796
   31    HE3  LYS   4           HE1      LYS   4  -9.787  -0.050   9.756
   32    HZ1  LYS   4           HZ1      LYS   4 -11.014  -1.489  11.128
   33    HZ2  LYS   4           HZ2      LYS   4  -9.483  -2.208  10.969
   34    HZ3  LYS   4           HZ3      LYS   4 -10.804  -2.817  10.096
   35    H    GLY   5           HN       GLY   5 -10.099  -3.627   4.666
   36    HA2  GLY   5           HA2      GLY   5  -9.428  -5.836   5.047
   37    HA3  GLY   5           HA1      GLY   5 -11.084  -6.230   5.496
   38    H    VAL   6           HN       VAL   6  -9.000  -5.494   2.743
   39    HA   VAL   6           HA       VAL   6 -10.900  -6.116   0.733
   40    HB   VAL   6           HB       VAL   6  -7.895  -6.176   0.553
   41   HG11  VAL   6          HG11      VAL   6  -8.236  -5.801  -1.843
   42   HG12  VAL   6          HG12      VAL   6  -9.979  -5.925  -1.607
   43   HG13  VAL   6          HG13      VAL   6  -8.947  -7.325  -1.311
   44   HG21  VAL   6          HG21      VAL   6  -8.096  -3.885  -0.314
   45   HG22  VAL   6          HG22      VAL   6  -8.673  -4.018   1.347
   46   HG23  VAL   6          HG23      VAL   6  -9.829  -3.927   0.017
   47    H    GLY   7           HN       GLY   7  -8.004  -7.953   1.742
   48    HA2  GLY   7           HA2      GLY   7  -7.999 -10.299   2.182
   49    HA3  GLY   7           HA1      GLY   7  -9.498 -10.443   1.268
   50    H    VAL   8           HN       VAL   8  -6.020 -10.091   1.041
   51    HA   VAL   8           HA       VAL   8  -6.215 -10.708  -1.832
   52    HB   VAL   8           HB       VAL   8  -4.279  -9.462  -2.319
   53   HG11  VAL   8          HG11      VAL   8  -6.144  -7.998  -1.920
   54   HG12  VAL   8          HG12      VAL   8  -4.650  -7.220  -1.396
   55   HG13  VAL   8          HG13      VAL   8  -5.750  -7.908  -0.204
   56   HG21  VAL   8          HG21      VAL   8  -2.766  -8.512  -0.619
   57   HG22  VAL   8          HG22      VAL   8  -2.803 -10.272  -0.597
   58   HG23  VAL   8          HG23      VAL   8  -3.677  -9.354   0.635
   59    H    SER   9           HN       SER   9  -4.585 -12.126  -2.695
   60    HA   SER   9           HA       SER   9  -3.600 -14.033  -0.733
   61    HB2  SER   9           HB2      SER   9  -4.731 -14.685  -2.948
   62    HB3  SER   9           HB1      SER   9  -3.228 -14.188  -3.727
   63    HG   SER   9           HG       SER   9  -2.393 -16.023  -3.149
   64    H    ASN  10           HN       ASN  10  -1.255 -14.896  -1.405
   65    HA   ASN  10           HA       ASN  10   0.476 -12.734  -0.772
   66    HB2  ASN  10           HB2      ASN  10   1.146 -15.560  -1.641
   67    HB3  ASN  10           HB1      ASN  10   2.310 -14.392  -1.024
   68   HD21  ASN  10          HD21      ASN  10   2.286 -13.845   1.161
   69   HD22  ASN  10          HD22      ASN  10   1.436 -14.790   2.333
   70    H    GLU  11           HN       GLU  11  -0.535 -14.222  -3.695
   71    HA   GLU  11           HA       GLU  11   1.340 -13.265  -5.513
   72    HB2  GLU  11           HB2      GLU  11  -0.263 -14.760  -6.347
   73    HB3  GLU  11           HB1      GLU  11  -1.593 -13.880  -5.615
   74    HG2  GLU  11           HG2      GLU  11  -0.392 -12.130  -7.459
   75    HG3  GLU  11           HG1      GLU  11  -0.566 -13.695  -8.264
   76    H    LYS  12           HN       LYS  12  -1.590 -11.696  -4.245
   77    HA   LYS  12           HA       LYS  12  -1.138  -9.313  -5.750
   78    HB2  LYS  12           HB2      LYS  12  -3.391 -10.110  -4.872
   79    HB3  LYS  12           HB1      LYS  12  -2.866  -9.565  -3.285
   80    HG2  LYS  12           HG2      LYS  12  -4.201  -7.826  -4.138
   81    HG3  LYS  12           HG1      LYS  12  -2.537  -7.274  -4.313
   82    HD2  LYS  12           HD2      LYS  12  -3.513  -6.688  -6.336
   83    HD3  LYS  12           HD1      LYS  12  -2.706  -8.208  -6.709
   84    HE2  LYS  12           HE2      LYS  12  -5.614  -8.061  -5.936
   85    HE3  LYS  12           HE1      LYS  12  -5.075  -7.900  -7.604
   86    HZ1  LYS  12           HZ1      LYS  12  -4.685 -10.257  -5.838
   87    HZ2  LYS  12           HZ2      LYS  12  -4.032 -10.106  -7.392
   88    HZ3  LYS  12           HZ3      LYS  12  -5.711 -10.147  -7.178
   89    H    LEU  13           HN       LEU  13  -0.122 -10.509  -2.673
   90    HA   LEU  13           HA       LEU  13   0.933  -8.036  -1.701
   91    HB2  LEU  13           HB2      LEU  13   0.466 -10.090  -0.319
   92    HB3  LEU  13           HB1      LEU  13   1.895 -10.826  -1.016
   93    HG   LEU  13           HG       LEU  13   2.946  -8.515  -0.122
   94   HD11  LEU  13          HD11      LEU  13   0.850  -7.736   0.846
   95   HD12  LEU  13          HD12      LEU  13   2.049  -8.042   2.101
   96   HD13  LEU  13          HD13      LEU  13   0.751  -9.201   1.827
   97   HD21  LEU  13          HD21      LEU  13   2.544 -11.059   1.439
   98   HD22  LEU  13          HD22      LEU  13   3.741  -9.816   1.809
   99   HD23  LEU  13          HD23      LEU  13   3.840 -10.713   0.291
  100    H    ASP  14           HN       ASP  14   2.080 -10.512  -3.895
  101    HA   ASP  14           HA       ASP  14   4.822  -9.679  -3.892
  102    HB2  ASP  14           HB2      ASP  14   3.674 -11.928  -4.679
  103    HB3  ASP  14           HB1      ASP  14   3.574 -11.125  -6.214
  104    H    ALA  15           HN       ALA  15   1.918  -8.721  -5.375
  105    HA   ALA  15           HA       ALA  15   3.166  -7.359  -7.610
  106    HB1  ALA  15           HB1      ALA  15   0.284  -7.317  -6.706
  107    HB2  ALA  15           HB2      ALA  15   0.966  -8.486  -7.835
  108    HB3  ALA  15           HB3      ALA  15   0.905  -6.776  -8.266
  109    H    VAL  16           HN       VAL  16   1.733  -6.582  -4.509
  110    HA   VAL  16           HA       VAL  16   1.562  -3.785  -4.937
  111    HB   VAL  16           HB       VAL  16   0.113  -4.750  -3.299
  112   HG11  VAL  16          HG11      VAL  16   1.476  -6.659  -2.639
  113   HG12  VAL  16          HG12      VAL  16   0.954  -5.756  -1.217
  114   HG13  VAL  16          HG13      VAL  16   2.606  -5.585  -1.813
  115   HG21  VAL  16          HG21      VAL  16   2.228  -3.062  -1.962
  116   HG22  VAL  16          HG22      VAL  16   0.593  -3.330  -1.349
  117   HG23  VAL  16          HG23      VAL  16   0.836  -2.469  -2.869
  118    H    MET  17           HN       MET  17   3.991  -5.824  -3.347
  119    HA   MET  17           HA       MET  17   5.388  -3.755  -2.082
  120    HB2  MET  17           HB2      MET  17   6.422  -6.444  -3.018
  121    HB3  MET  17           HB1      MET  17   7.259  -5.366  -1.922
  122    HG2  MET  17           HG2      MET  17   5.457  -5.562  -0.306
  123    HG3  MET  17           HG1      MET  17   4.594  -6.631  -1.405
  124    HE1  MET  17           HE1      MET  17   8.622  -7.733   0.566
  125    HE2  MET  17           HE2      MET  17   7.752  -6.247   0.942
  126    HE3  MET  17           HE3      MET  17   8.445  -6.478  -0.663
  127    H    ARG  18           HN       ARG  18   5.603  -4.955  -5.367
  128    HA   ARG  18           HA       ARG  18   8.027  -3.493  -5.884
  129    HB2  ARG  18           HB2      ARG  18   7.457  -4.266  -8.309
  130    HB3  ARG  18           HB1      ARG  18   8.051  -5.419  -7.121
  131    HG2  ARG  18           HG2      ARG  18   5.889  -6.311  -6.780
  132    HG3  ARG  18           HG1      ARG  18   5.136  -4.984  -7.672
  133    HD2  ARG  18           HD2      ARG  18   5.973  -5.788  -9.729
  134    HD3  ARG  18           HD1      ARG  18   7.097  -6.883  -8.927
  135    HE   ARG  18           HE       ARG  18   4.986  -8.040  -8.122
  136   HH11  ARG  18          HH11      ARG  18   5.192  -6.303 -11.160
  137   HH12  ARG  18          HH12      ARG  18   4.038  -7.328 -11.969
  138   HH21  ARG  18          HH21      ARG  18   3.471  -9.389  -9.195
  139   HH22  ARG  18          HH22      ARG  18   3.051  -9.068 -10.851
  140    H    VAL  19           HN       VAL  19   4.628  -2.814  -6.115
  141    HA   VAL  19           HA       VAL  19   5.073  -0.587  -7.914
  142    HB   VAL  19           HB       VAL  19   2.709  -1.311  -6.168
  143   HG11  VAL  19          HG11      VAL  19   1.491   0.447  -7.347
  144   HG12  VAL  19          HG12      VAL  19   2.963   0.888  -8.217
  145   HG13  VAL  19          HG13      VAL  19   2.874   1.114  -6.471
  146   HG21  VAL  19          HG21      VAL  19   3.159  -2.804  -8.085
  147   HG22  VAL  19          HG22      VAL  19   3.049  -1.413  -9.165
  148   HG23  VAL  19          HG23      VAL  19   1.635  -1.929  -8.243
  149    H    VAL  20           HN       VAL  20   4.917  -1.288  -4.541
  150    HA   VAL  20           HA       VAL  20   5.101   1.354  -3.537
  151    HB   VAL  20           HB       VAL  20   5.684  -1.380  -2.413
  152   HG11  VAL  20          HG11      VAL  20   7.426   0.078  -1.487
  153   HG12  VAL  20          HG12      VAL  20   6.253  -0.396  -0.257
  154   HG13  VAL  20          HG13      VAL  20   6.189   1.220  -0.963
  155   HG21  VAL  20          HG21      VAL  20   3.761   0.823  -1.660
  156   HG22  VAL  20          HG22      VAL  20   3.911  -0.727  -0.829
  157   HG23  VAL  20          HG23      VAL  20   3.367  -0.676  -2.505
  158    H    SER  21           HN       SER  21   7.499  -1.045  -4.589
  159    HA   SER  21           HA       SER  21   9.759   0.273  -3.499
  160    HB2  SER  21           HB2      SER  21  11.054  -1.151  -5.087
  161    HB3  SER  21           HB1      SER  21   9.877  -2.094  -4.167
  162    HG   SER  21           HG       SER  21   9.973  -1.479  -6.880
  163    H    GLU  22           HN       GLU  22   8.386   0.244  -6.743
  164    HA   GLU  22           HA       GLU  22  10.227   1.958  -7.945
  165    HB2  GLU  22           HB2      GLU  22   7.320   1.572  -8.655
  166    HB3  GLU  22           HB1      GLU  22   8.554   2.260  -9.705
  167    HG2  GLU  22           HG2      GLU  22   8.332  -0.568  -8.716
  168    HG3  GLU  22           HG1      GLU  22   8.247   0.013 -10.378
  169    H    GLU  23           HN       GLU  23   7.235   2.730  -6.216
  170    HA   GLU  23           HA       GLU  23   7.426   5.515  -6.907
  171    HB2  GLU  23           HB2      GLU  23   5.585   3.969  -5.094
  172    HB3  GLU  23           HB1      GLU  23   5.537   5.716  -5.177
  173    HG2  GLU  23           HG2      GLU  23   5.088   3.844  -7.496
  174    HG3  GLU  23           HG1      GLU  23   3.842   4.713  -6.605
  175    H    SER  24           HN       SER  24   8.403   3.528  -4.174
  176    HA   SER  24           HA       SER  24   8.849   5.821  -2.486
  177    HB2  SER  24           HB2      SER  24   9.780   4.181  -0.884
  178    HB3  SER  24           HB1      SER  24   8.165   3.747  -1.431
  179    HG   SER  24           HG       SER  24   8.948   2.081  -2.520
  180    H    GLY  25           HN       GLY  25  10.855   3.525  -4.279
  181    HA2  GLY  25           HA2      GLY  25  12.945   4.259  -5.282
  182    HA3  GLY  25           HA1      GLY  25  13.122   5.406  -3.959
  183    H    ILE  26           HN       ILE  26  11.950   2.537  -2.764
  184    HA   ILE  26           HA       ILE  26  14.607   1.758  -1.799
  185    HB   ILE  26           HB       ILE  26  12.049   0.487  -0.861
  186   HG12  ILE  26          HG12      ILE  26  13.157   2.985   0.426
  187   HG13  ILE  26          HG11      ILE  26  11.896   3.065  -0.815
  188   HG21  ILE  26          HG21      ILE  26  14.156  -0.465  -0.127
  189   HG22  ILE  26          HG22      ILE  26  13.309   0.271   1.235
  190   HG23  ILE  26          HG23      ILE  26  14.673   1.104   0.490
  191   HD11  ILE  26          HD11      ILE  26  10.396   1.804   0.574
  192   HD12  ILE  26          HD12      ILE  26  11.040   3.156   1.509
  193   HD13  ILE  26          HD13      ILE  26  11.665   1.525   1.768
  194    H    ALA  27           HN       ALA  27  15.526  -0.158  -2.349
  195    HA   ALA  27           HA       ALA  27  14.578  -1.664  -4.529
  196    HB1  ALA  27           HB1      ALA  27  16.571  -2.474  -2.418
  197    HB2  ALA  27           HB2      ALA  27  16.947  -1.543  -3.868
  198    HB3  ALA  27           HB3      ALA  27  16.378  -3.208  -4.009
  199    H    LEU  28           HN       LEU  28  13.528  -3.598  -4.660
  200    HA   LEU  28           HA       LEU  28  11.517  -4.164  -2.825
  201    HB2  LEU  28           HB2      LEU  28  11.355  -4.867  -5.116
  202    HB3  LEU  28           HB1      LEU  28  12.798  -5.848  -4.975
  203    HG   LEU  28           HG       LEU  28  11.564  -7.345  -3.404
  204   HD11  LEU  28          HD11      LEU  28   9.075  -7.210  -3.488
  205   HD12  LEU  28          HD12      LEU  28   9.242  -5.607  -4.204
  206   HD13  LEU  28          HD13      LEU  28   9.848  -5.915  -2.575
  207   HD21  LEU  28          HD21      LEU  28  11.818  -7.932  -5.730
  208   HD22  LEU  28          HD22      LEU  28  10.397  -6.974  -6.149
  209   HD23  LEU  28          HD23      LEU  28  10.222  -8.420  -5.154
  210    H    GLU  29           HN       GLU  29  14.785  -5.434  -3.069
  211    HA   GLU  29           HA       GLU  29  14.425  -7.633  -1.286
  212    HB2  GLU  29           HB2      GLU  29  17.001  -6.212  -1.944
  213    HB3  GLU  29           HB1      GLU  29  16.799  -7.862  -1.362
  214    HG2  GLU  29           HG2      GLU  29  15.630  -6.947  -3.961
  215    HG3  GLU  29           HG1      GLU  29  17.286  -7.546  -3.842
  216    H    GLU  30           HN       GLU  30  14.525  -4.327  -0.739
  217    HA   GLU  30           HA       GLU  30  15.569  -4.669   2.000
  218    HB2  GLU  30           HB2      GLU  30  15.295  -2.089   0.449
  219    HB3  GLU  30           HB1      GLU  30  16.044  -2.292   2.031
  220    HG2  GLU  30           HG2      GLU  30  17.780  -3.702   0.948
  221    HG3  GLU  30           HG1      GLU  30  17.062  -3.285  -0.612
  222    H    LEU  31           HN       LEU  31  12.745  -4.467   0.353
  223    HA   LEU  31           HA       LEU  31  11.422  -2.417   1.841
  224    HB2  LEU  31           HB2      LEU  31  10.767  -3.179  -0.456
  225    HB3  LEU  31           HB1      LEU  31  10.164  -4.667   0.259
  226    HG   LEU  31           HG       LEU  31   8.581  -3.316   1.618
  227   HD11  LEU  31          HD11      LEU  31   9.803  -1.221   1.644
  228   HD12  LEU  31          HD12      LEU  31   8.188  -0.981   0.974
  229   HD13  LEU  31          HD13      LEU  31   9.589  -1.053  -0.098
  230   HD21  LEU  31          HD21      LEU  31   8.414  -2.973  -1.363
  231   HD22  LEU  31          HD22      LEU  31   7.075  -2.774  -0.235
  232   HD23  LEU  31          HD23      LEU  31   7.837  -4.352  -0.430
  233    H    THR  32           HN       THR  32  11.465  -2.736   3.957
  234    HA   THR  32           HA       THR  32  10.145  -5.139   5.037
  235    HB   THR  32           HB       THR  32  11.640  -4.975   7.000
  236    HG1  THR  32           HG1      THR  32  13.224  -3.087   5.618
  237   HG21  THR  32          HG21      THR  32  13.197  -5.025   4.391
  238   HG22  THR  32          HG22      THR  32  12.434  -6.415   5.172
  239   HG23  THR  32          HG23      THR  32  13.790  -5.603   5.949
  240    H    ASP  33           HN       ASP  33   9.119  -4.678   7.228
  241    HA   ASP  33           HA       ASP  33   7.631  -2.246   7.161
  242    HB2  ASP  33           HB2      ASP  33   6.626  -2.990   9.227
  243    HB3  ASP  33           HB1      ASP  33   6.791  -4.383   8.159
  244    H    ASP  34           HN       ASP  34  10.729  -2.919   8.109
  245    HA   ASP  34           HA       ASP  34  11.105  -1.043  10.212
  246    HB2  ASP  34           HB2      ASP  34  12.729  -2.801   9.839
  247    HB3  ASP  34           HB1      ASP  34  12.993  -2.264   8.182
  248    H    SER  35           HN       SER  35  10.716  -0.845   6.800
  249    HA   SER  35           HA       SER  35  11.803   1.831   6.546
  250    HB2  SER  35           HB2      SER  35  10.069   0.296   4.599
  251    HB3  SER  35           HB1      SER  35  11.111   1.670   4.236
  252    HG   SER  35           HG       SER  35  12.564  -0.216   5.436
  253    H    ASN  36           HN       ASN  36  10.596   3.707   6.163
  254    HA   ASN  36           HA       ASN  36   7.809   3.562   7.125
  255    HB2  ASN  36           HB2      ASN  36   9.448   4.326   8.896
  256    HB3  ASN  36           HB1      ASN  36   9.838   5.688   7.861
  257   HD21  ASN  36          HD21      ASN  36   6.628   4.318   8.261
  258   HD22  ASN  36          HD22      ASN  36   5.949   5.688   9.070
  259    H    PHE  37           HN       PHE  37   6.462   4.449   5.639
  260    HA   PHE  37           HA       PHE  37   7.326   5.444   3.211
  261    HB2  PHE  37           HB2      PHE  37   4.712   5.625   4.666
  262    HB3  PHE  37           HB1      PHE  37   4.934   6.535   3.173
  263    HD1  PHE  37           HD1      PHE  37   6.587   4.681   1.608
  264    HD2  PHE  37           HD2      PHE  37   3.201   3.936   4.070
  265    HE1  PHE  37           HE1      PHE  37   6.047   2.712   0.247
  266    HE2  PHE  37           HE2      PHE  37   2.651   1.949   2.716
  267    HZ   PHE  37           HZ       PHE  37   4.075   1.337   0.802
  268    H    ALA  38           HN       ALA  38   6.218   7.273   6.035
  269    HA   ALA  38           HA       ALA  38   6.545   9.813   4.825
  270    HB1  ALA  38           HB1      ALA  38   6.231  10.689   7.093
  271    HB2  ALA  38           HB2      ALA  38   6.384   9.054   7.737
  272    HB3  ALA  38           HB3      ALA  38   5.030   9.464   6.682
  273    H    ASP  39           HN       ASP  39   8.704   7.727   6.618
  274    HA   ASP  39           HA       ASP  39  10.693   9.733   7.123
  275    HB2  ASP  39           HB2      ASP  39  10.464   7.709   8.542
  276    HB3  ASP  39           HB1      ASP  39  10.956   6.715   7.176
  277    H    MET  40           HN       MET  40   9.945   7.510   4.600
  278    HA   MET  40           HA       MET  40  12.514   7.768   3.294
  279    HB2  MET  40           HB2      MET  40  10.013   6.224   2.778
  280    HB3  MET  40           HB1      MET  40  11.040   6.585   1.398
  281    HG2  MET  40           HG2      MET  40  11.539   4.400   2.328
  282    HG3  MET  40           HG1      MET  40  12.921   5.480   2.470
  283    HE1  MET  40           HE1      MET  40  13.426   3.348   5.644
  284    HE2  MET  40           HE2      MET  40  14.206   4.107   4.256
  285    HE3  MET  40           HE3      MET  40  12.992   2.853   4.009
  286    H    GLY  41           HN       GLY  41   9.616   9.525   3.371
  287    HA2  GLY  41           HA2      GLY  41   9.649  11.758   2.435
  288    HA3  GLY  41           HA1      GLY  41  10.635  11.144   1.115
  289    H    ILE  42           HN       ILE  42   7.964   9.212   2.082
  290    HA   ILE  42           HA       ILE  42   6.687   9.516  -0.446
  291    HB   ILE  42           HB       ILE  42   5.767   8.142   2.093
  292   HG12  ILE  42          HG12      ILE  42   7.788   7.259   0.880
  293   HG13  ILE  42          HG11      ILE  42   6.457   6.111   1.007
  294   HG21  ILE  42          HG21      ILE  42   4.107   7.014   0.589
  295   HG22  ILE  42          HG22      ILE  42   4.490   8.225  -0.635
  296   HG23  ILE  42          HG23      ILE  42   3.782   8.720   0.904
  297   HD11  ILE  42          HD11      ILE  42   5.830   6.575  -1.298
  298   HD12  ILE  42          HD12      ILE  42   7.510   6.050  -1.198
  299   HD13  ILE  42          HD13      ILE  42   7.131   7.758  -1.427
  300    H    ASP  43           HN       ASP  43   5.765  11.338  -0.954
  301    HA   ASP  43           HA       ASP  43   4.321  12.946   0.999
  302    HB2  ASP  43           HB2      ASP  43   5.770  14.115  -0.542
  303    HB3  ASP  43           HB1      ASP  43   4.995  13.349  -1.922
  304    H    SER  44           HN       SER  44   2.156  13.873   0.210
  305    HA   SER  44           HA       SER  44   0.239  11.876  -0.039
  306    HB2  SER  44           HB2      SER  44  -0.359  14.027   0.800
  307    HB3  SER  44           HB1      SER  44   0.122  14.818  -0.701
  308    H    LEU  45           HN       LEU  45   1.872  13.777  -2.529
  309    HA   LEU  45           HA       LEU  45   0.327  13.010  -4.741
  310    HB2  LEU  45           HB2      LEU  45   2.102  14.809  -4.667
  311    HB3  LEU  45           HB1      LEU  45   3.316  13.543  -4.690
  312    HG   LEU  45           HG       LEU  45   2.856  14.737  -6.876
  313   HD11  LEU  45          HD11      LEU  45   3.029  12.696  -8.226
  314   HD12  LEU  45          HD12      LEU  45   2.576  11.734  -6.818
  315   HD13  LEU  45          HD13      LEU  45   4.086  12.644  -6.815
  316   HD21  LEU  45          HD21      LEU  45   0.443  14.836  -6.775
  317   HD22  LEU  45          HD22      LEU  45   0.346  13.075  -6.763
  318   HD23  LEU  45          HD23      LEU  45   0.951  13.914  -8.191
  319    H    SER  46           HN       SER  46   3.369  11.563  -3.540
  320    HA   SER  46           HA       SER  46   3.331   9.446  -5.414
  321    HB2  SER  46           HB2      SER  46   4.834   9.616  -2.792
  322    HB3  SER  46           HB1      SER  46   5.211   8.554  -4.151
  323    HG   SER  46           HG       SER  46   5.638  10.386  -5.409
  324    H    SER  47           HN       SER  47   2.252   9.669  -2.049
  325    HA   SER  47           HA       SER  47   1.816   6.893  -1.714
  326    HB2  SER  47           HB2      SER  47   0.410   7.620   0.239
  327    HB3  SER  47           HB1      SER  47   2.044   8.284   0.230
  328    HG   SER  47           HG       SER  47   1.277  10.237  -0.246
  329    H    MET  48           HN       MET  48  -0.107   9.482  -3.031
  330    HA   MET  48           HA       MET  48  -2.559   8.013  -3.099
  331    HB2  MET  48           HB2      MET  48  -2.200  10.593  -3.217
  332    HB3  MET  48           HB1      MET  48  -1.821  10.332  -4.907
  333    HG2  MET  48           HG2      MET  48  -4.496   9.837  -3.553
  334    HG3  MET  48           HG1      MET  48  -4.089  11.123  -4.671
  335    HE1  MET  48           HE1      MET  48  -6.614   9.182  -4.901
  336    HE2  MET  48           HE2      MET  48  -6.638   8.857  -6.635
  337    HE3  MET  48           HE3      MET  48  -6.309  10.487  -6.046
  338    H    VAL  49           HN       VAL  49   0.133   8.571  -5.272
  339    HA   VAL  49           HA       VAL  49  -1.026   7.438  -7.578
  340    HB   VAL  49           HB       VAL  49   1.848   7.907  -6.752
  341   HG11  VAL  49          HG11      VAL  49   2.453   7.408  -9.105
  342   HG12  VAL  49          HG12      VAL  49   0.825   6.764  -9.348
  343   HG13  VAL  49          HG13      VAL  49   1.918   6.001  -8.188
  344   HG21  VAL  49          HG21      VAL  49   0.131   9.216  -8.872
  345   HG22  VAL  49          HG22      VAL  49   1.783   9.658  -8.443
  346   HG23  VAL  49          HG23      VAL  49   0.478   9.892  -7.281
  347    H    ILE  50           HN       ILE  50   1.089   6.092  -5.049
  348    HA   ILE  50           HA       ILE  50   1.389   3.524  -5.975
  349    HB   ILE  50           HB       ILE  50   0.902   4.291  -3.093
  350   HG12  ILE  50          HG12      ILE  50   3.506   4.060  -4.625
  351   HG13  ILE  50          HG11      ILE  50   2.730   5.580  -4.196
  352   HG21  ILE  50          HG21      ILE  50   2.231   2.273  -2.600
  353   HG22  ILE  50          HG22      ILE  50   2.285   1.906  -4.324
  354   HG23  ILE  50          HG23      ILE  50   0.743   1.895  -3.470
  355   HD11  ILE  50          HD11      ILE  50   3.041   5.113  -1.843
  356   HD12  ILE  50          HD12      ILE  50   4.581   4.998  -2.695
  357   HD13  ILE  50          HD13      ILE  50   3.722   3.530  -2.227
  358    H    GLY  51           HN       GLY  51  -1.167   4.608  -3.714
  359    HA2  GLY  51           HA2      GLY  51  -2.673   2.224  -3.806
  360    HA3  GLY  51           HA1      GLY  51  -3.281   3.796  -3.302
  361    H    SER  52           HN       SER  52  -2.580   4.995  -5.920
  362    HA   SER  52           HA       SER  52  -4.966   4.487  -7.302
  363    HB2  SER  52           HB2      SER  52  -2.659   6.222  -7.540
  364    HB3  SER  52           HB1      SER  52  -3.316   5.771  -9.107
  365    HG   SER  52           HG       SER  52  -4.350   7.382  -7.115
  366    H    ARG  53           HN       ARG  53  -1.592   3.484  -7.881
  367    HA   ARG  53           HA       ARG  53  -2.115   2.194 -10.345
  368    HB2  ARG  53           HB2      ARG  53   0.093   1.447  -8.428
  369    HB3  ARG  53           HB1      ARG  53   0.050   1.183 -10.164
  370    HG2  ARG  53           HG2      ARG  53  -0.102   3.793 -10.249
  371    HG3  ARG  53           HG1      ARG  53   0.593   3.673  -8.635
  372    HD2  ARG  53           HD2      ARG  53   2.526   3.738  -9.871
  373    HD3  ARG  53           HD1      ARG  53   2.221   2.005  -9.827
  374    HE   ARG  53           HE       ARG  53   1.015   3.230 -12.109
  375   HH11  ARG  53          HH11      ARG  53   4.041   1.980 -10.873
  376   HH12  ARG  53          HH12      ARG  53   4.680   1.605 -12.442
  377   HH21  ARG  53          HH21      ARG  53   1.845   2.760 -14.170
  378   HH22  ARG  53          HH22      ARG  53   3.419   2.044 -14.312
  379    H    PHE  54           HN       PHE  54  -2.547   1.243  -7.043
  380    HA   PHE  54           HA       PHE  54  -2.778  -1.545  -7.308
  381    HB2  PHE  54           HB2      PHE  54  -4.308   0.415  -5.573
  382    HB3  PHE  54           HB1      PHE  54  -4.492  -1.322  -5.454
  383    HD1  PHE  54           HD1      PHE  54  -1.115  -0.802  -6.182
  384    HD2  PHE  54           HD2      PHE  54  -3.971  -0.372  -3.040
  385    HE1  PHE  54           HE1      PHE  54   0.692  -0.857  -4.511
  386    HE2  PHE  54           HE2      PHE  54  -2.162  -0.428  -1.385
  387    HZ   PHE  54           HZ       PHE  54   0.169  -0.679  -2.120
  388    H    ARG  55           HN       ARG  55  -5.030   1.077  -7.954
  389    HA   ARG  55           HA       ARG  55  -7.218  -0.683  -8.630
  390    HB2  ARG  55           HB2      ARG  55  -6.956   2.292  -9.066
  391    HB3  ARG  55           HB1      ARG  55  -8.443   1.354  -9.051
  392    HG2  ARG  55           HG2      ARG  55  -8.114   0.852  -6.689
  393    HG3  ARG  55           HG1      ARG  55  -6.612   1.771  -6.702
  394    HD2  ARG  55           HD2      ARG  55  -9.301   2.942  -7.388
  395    HD3  ARG  55           HD1      ARG  55  -8.582   3.010  -5.780
  396    HE   ARG  55           HE       ARG  55  -6.654   4.091  -7.266
  397   HH11  ARG  55          HH11      ARG  55 -10.101   4.660  -7.225
  398   HH12  ARG  55          HH12      ARG  55  -9.963   6.331  -7.681
  399   HH21  ARG  55          HH21      ARG  55  -6.443   6.309  -7.831
  400   HH22  ARG  55          HH22      ARG  55  -7.880   7.275  -8.019
  401    H    GLU  56           HN       GLU  56  -4.617   0.860 -10.259
  402    HA   GLU  56           HA       GLU  56  -5.879   0.892 -12.859
  403    HB2  GLU  56           HB2      GLU  56  -3.057   1.486 -11.961
  404    HB3  GLU  56           HB1      GLU  56  -3.624   1.670 -13.613
  405    HG2  GLU  56           HG2      GLU  56  -4.855   3.120 -11.296
  406    HG3  GLU  56           HG1      GLU  56  -3.495   3.761 -12.214
  407    H    ASP  57           HN       ASP  57  -3.016  -0.672 -11.470
  408    HA   ASP  57           HA       ASP  57  -2.863  -2.461 -13.758
  409    HB2  ASP  57           HB2      ASP  57  -1.035  -1.988 -11.401
  410    HB3  ASP  57           HB1      ASP  57  -0.717  -3.166 -12.662
  411    H    LEU  58           HN       LEU  58  -3.153  -2.699 -10.225
  412    HA   LEU  58           HA       LEU  58  -3.207  -5.585 -10.348
  413    HB2  LEU  58           HB2      LEU  58  -3.297  -3.573  -8.128
  414    HB3  LEU  58           HB1      LEU  58  -3.765  -5.231  -7.812
  415    HG   LEU  58           HG       LEU  58  -1.546  -6.003  -8.522
  416   HD11  LEU  58          HD11      LEU  58   0.256  -4.423  -8.917
  417   HD12  LEU  58          HD12      LEU  58  -0.877  -3.078  -8.781
  418   HD13  LEU  58          HD13      LEU  58  -1.026  -4.225 -10.112
  419   HD21  LEU  58          HD21      LEU  58  -0.291  -5.139  -6.616
  420   HD22  LEU  58          HD22      LEU  58  -1.957  -5.510  -6.174
  421   HD23  LEU  58          HD23      LEU  58  -1.465  -3.835  -6.431
  422    H    GLY  59           HN       GLY  59  -5.516  -3.023 -10.198
  423    HA2  GLY  59           HA2      GLY  59  -7.804  -3.073 -10.437
  424    HA3  GLY  59           HA1      GLY  59  -7.695  -4.813 -10.657
  425    H    LEU  60           HN       LEU  60  -6.616  -2.901  -7.895
  426    HA   LEU  60           HA       LEU  60  -8.127  -4.621  -6.122
  427    HB2  LEU  60           HB2      LEU  60  -6.174  -2.382  -5.648
  428    HB3  LEU  60           HB1      LEU  60  -7.029  -3.183  -4.347
  429    HG   LEU  60           HG       LEU  60  -5.144  -4.549  -6.272
  430   HD11  LEU  60          HD11      LEU  60  -3.628  -4.688  -4.346
  431   HD12  LEU  60          HD12      LEU  60  -4.749  -3.707  -3.400
  432   HD13  LEU  60          HD13      LEU  60  -3.950  -3.017  -4.812
  433   HD21  LEU  60          HD21      LEU  60  -6.461  -5.562  -3.756
  434   HD22  LEU  60          HD22      LEU  60  -5.334  -6.454  -4.783
  435   HD23  LEU  60          HD23      LEU  60  -6.922  -5.999  -5.402
  436    H    ASP  61           HN       ASP  61  -9.744  -3.959  -4.722
  437    HA   ASP  61           HA       ASP  61 -11.083  -1.467  -5.482
  438    HB2  ASP  61           HB2      ASP  61 -12.110  -3.938  -4.079
  439    HB3  ASP  61           HB1      ASP  61 -13.046  -2.453  -4.236
  440    H    LEU  62           HN       LEU  62  -9.994   0.039  -4.276
  441    HA   LEU  62           HA       LEU  62 -10.372  -0.162  -1.364
  442    HB2  LEU  62           HB2      LEU  62  -8.419   1.558  -1.358
  443    HB3  LEU  62           HB1      LEU  62  -8.078  -0.147  -1.527
  444    HG   LEU  62           HG       LEU  62  -8.414   0.999  -4.129
  445   HD11  LEU  62          HD11      LEU  62  -7.804   3.119  -3.123
  446   HD12  LEU  62          HD12      LEU  62  -6.473   2.508  -4.106
  447   HD13  LEU  62          HD13      LEU  62  -6.407   2.373  -2.350
  448   HD21  LEU  62          HD21      LEU  62  -6.153   0.104  -4.429
  449   HD22  LEU  62          HD22      LEU  62  -7.210  -1.060  -3.629
  450   HD23  LEU  62          HD23      LEU  62  -6.027  -0.150  -2.689
  451    H    GLY  63           HN       GLY  63 -10.017   2.169  -4.030
  452    HA2  GLY  63           HA2      GLY  63 -11.993   3.720  -4.275
  453    HA3  GLY  63           HA1      GLY  63 -11.812   3.963  -2.544
  454    HA   PRO  64           HA       PRO  64  -9.066   6.920  -4.948
  455    HB2  PRO  64           HB2      PRO  64 -10.560   9.142  -5.080
  456    HB3  PRO  64           HB1      PRO  64 -10.722   7.829  -6.258
  457    HG2  PRO  64           HG2      PRO  64 -12.450   8.492  -3.917
  458    HG3  PRO  64           HG1      PRO  64 -12.919   7.935  -5.530
  459    HD2  PRO  64           HD2      PRO  64 -12.722   6.332  -3.269
  460    HD3  PRO  64           HD1      PRO  64 -12.683   5.741  -4.945
  461    H    GLU  65           HN       GLU  65 -10.554   6.772  -1.973
  462    HA   GLU  65           HA       GLU  65  -9.377   9.253  -0.981
  463    HB2  GLU  65           HB2      GLU  65 -11.783   8.704  -0.522
  464    HB3  GLU  65           HB1      GLU  65 -11.244   7.329   0.433
  465    HG2  GLU  65           HG2      GLU  65 -10.184   8.793   2.026
  466    HG3  GLU  65           HG1      GLU  65 -10.560  10.205   1.037
  467    H    PHE  66           HN       PHE  66  -8.761   5.885  -1.044
  468    HA   PHE  66           HA       PHE  66  -7.400   5.676   1.443
  469    HB2  PHE  66           HB2      PHE  66  -8.234   3.676   0.356
  470    HB3  PHE  66           HB1      PHE  66  -7.236   3.981  -1.060
  471    HD1  PHE  66           HD2      PHE  66  -7.172   3.039   2.501
  472    HD2  PHE  66           HD1      PHE  66  -4.974   3.263  -1.143
  473    HE1  PHE  66           HE2      PHE  66  -5.377   1.701   3.499
  474    HE2  PHE  66           HE1      PHE  66  -3.180   1.921  -0.140
  475    HZ   PHE  66           HZ       PHE  66  -3.400   1.058   2.109
  476    H    SER  67           HN       SER  67  -5.617   6.737   1.944
  477    HA   SER  67           HA       SER  67  -3.594   7.190  -0.141
  478    HB2  SER  67           HB2      SER  67  -3.185   9.403   1.172
  479    HB3  SER  67           HB1      SER  67  -4.549   9.316   0.057
  480    HG   SER  67           HG       SER  67  -5.925   9.046   1.769
  481    H    LEU  68           HN       LEU  68  -1.552   6.736   0.398
  482    HA   LEU  68           HA       LEU  68  -1.066   5.388   2.905
  483    HB2  LEU  68           HB2      LEU  68   0.808   6.000   0.631
  484    HB3  LEU  68           HB1      LEU  68   1.154   4.941   1.977
  485    HG   LEU  68           HG       LEU  68  -0.928   4.493  -0.149
  486   HD11  LEU  68          HD11      LEU  68   1.743   3.239   0.429
  487   HD12  LEU  68          HD12      LEU  68   1.262   4.138  -1.015
  488   HD13  LEU  68          HD13      LEU  68   0.549   2.559  -0.680
  489   HD21  LEU  68          HD21      LEU  68  -1.652   3.637   2.016
  490   HD22  LEU  68          HD22      LEU  68  -0.126   2.772   2.189
  491   HD23  LEU  68          HD23      LEU  68  -1.256   2.321   0.912
  492    H    PHE  69           HN       PHE  69  -1.335   8.464   2.504
  493    HA   PHE  69           HA       PHE  69   1.078   9.172   3.978
  494    HB2  PHE  69           HB2      PHE  69   0.606  10.333   1.793
  495    HB3  PHE  69           HB1      PHE  69  -0.835  11.029   2.530
  496    HD1  PHE  69           HD1      PHE  69   2.430  10.505   4.145
  497    HD2  PHE  69           HD2      PHE  69  -0.285  13.301   2.452
  498    HE1  PHE  69           HE1      PHE  69   3.795  12.357   5.028
  499    HE2  PHE  69           HE2      PHE  69   1.067  15.160   3.331
  500    HZ   PHE  69           HZ       PHE  69   3.116  14.715   4.558
  501    H    ILE  70           HN       ILE  70  -2.194   8.509   4.322
  502    HA   ILE  70           HA       ILE  70  -2.248   9.931   6.904
  503    HB   ILE  70           HB       ILE  70  -4.575   9.711   4.964
  504   HG12  ILE  70          HG12      ILE  70  -3.052  12.102   6.013
  505   HG13  ILE  70          HG11      ILE  70  -2.992  11.476   4.372
  506   HG21  ILE  70          HG21      ILE  70  -5.338   9.410   7.262
  507   HG22  ILE  70          HG22      ILE  70  -5.872  10.956   6.602
  508   HG23  ILE  70          HG23      ILE  70  -4.521  10.902   7.733
  509   HD11  ILE  70          HD11      ILE  70  -5.419  12.659   5.708
  510   HD12  ILE  70          HD12      ILE  70  -5.351  12.029   4.062
  511   HD13  ILE  70          HD13      ILE  70  -4.405  13.452   4.503
  512    H    ASP  71           HN       ASP  71  -3.361   7.171   4.993
  513    HA   ASP  71           HA       ASP  71  -4.652   6.080   7.399
  514    HB2  ASP  71           HB2      ASP  71  -5.994   6.356   5.263
  515    HB3  ASP  71           HB1      ASP  71  -5.010   5.078   4.557
  516    H    CYS  72           HN       CYS  72  -1.745   6.016   6.174
  517    HA   CYS  72           HA       CYS  72  -1.046   3.439   7.203
  518    HB2  CYS  72           HB2      CYS  72  -0.701   4.001   4.242
  519    HB3  CYS  72           HB1      CYS  72   0.114   2.699   5.099
  520    HG   CYS  72           HG       CYS  72  -3.191   2.620   5.508
  521    H    THR  73           HN       THR  73   0.920   3.680   8.114
  522    HA   THR  73           HA       THR  73   2.445   6.074   7.315
  523    HB   THR  73           HB       THR  73   3.439   5.972   9.595
  524    HG1  THR  73           HG1      THR  73   2.250   4.581  11.107
  525   HG21  THR  73          HG21      THR  73   1.570   7.449   9.206
  526   HG22  THR  73          HG22      THR  73   1.369   6.693  10.787
  527   HG23  THR  73          HG23      THR  73   0.424   6.123   9.408
  528    H    THR  74           HN       THR  74   2.916   2.691   8.417
  529    HA   THR  74           HA       THR  74   5.587   2.791   7.217
  530    HB   THR  74           HB       THR  74   6.054   0.674   8.332
  531    HG1  THR  74           HG1      THR  74   3.847   0.550   9.923
  532   HG21  THR  74          HG21      THR  74   5.903   1.420  10.679
  533   HG22  THR  74          HG22      THR  74   4.791   2.701  10.191
  534   HG23  THR  74          HG23      THR  74   6.454   2.708   9.611
  535    H    VAL  75           HN       VAL  75   6.031   0.211   6.565
  536    HA   VAL  75           HA       VAL  75   4.643   0.031   4.042
  537    HB   VAL  75           HB       VAL  75   6.580  -2.022   5.035
  538   HG11  VAL  75          HG11      VAL  75   6.018  -0.776   2.362
  539   HG12  VAL  75          HG12      VAL  75   5.663  -2.424   2.883
  540   HG13  VAL  75          HG13      VAL  75   7.338  -1.902   2.674
  541   HG21  VAL  75          HG21      VAL  75   8.451  -0.584   4.264
  542   HG22  VAL  75          HG22      VAL  75   7.637   0.026   5.704
  543   HG23  VAL  75          HG23      VAL  75   7.316   0.759   4.130
  544    H    ARG  76           HN       ARG  76   5.020  -1.967   6.950
  545    HA   ARG  76           HA       ARG  76   3.370  -4.102   6.098
  546    HB2  ARG  76           HB2      ARG  76   4.999  -3.563   8.316
  547    HB3  ARG  76           HB1      ARG  76   3.365  -3.740   8.918
  548    HG2  ARG  76           HG2      ARG  76   4.624  -5.767   7.119
  549    HG3  ARG  76           HG1      ARG  76   4.720  -5.848   8.877
  550    HD2  ARG  76           HD2      ARG  76   2.273  -5.931   9.008
  551    HD3  ARG  76           HD1      ARG  76   2.174  -5.824   7.252
  552    HE   ARG  76           HE       ARG  76   3.617  -8.006   7.444
  553   HH11  ARG  76          HH11      ARG  76   0.889  -7.046   9.431
  554   HH12  ARG  76          HH12      ARG  76   0.397  -8.669   9.784
  555   HH21  ARG  76          HH21      ARG  76   2.942 -10.153   7.838
  556   HH22  ARG  76          HH22      ARG  76   1.584 -10.452   8.890
  557    H    ALA  77           HN       ALA  77   2.715  -0.994   7.511
  558    HA   ALA  77           HA       ALA  77   0.121  -1.371   8.460
  559    HB1  ALA  77           HB1      ALA  77   1.267   1.050   7.063
  560    HB2  ALA  77           HB2      ALA  77   1.353   0.707   8.792
  561    HB3  ALA  77           HB3      ALA  77  -0.206   1.025   8.034
  562    H    LEU  78           HN       LEU  78   1.355  -1.097   5.213
  563    HA   LEU  78           HA       LEU  78  -1.215  -0.866   3.928
  564    HB2  LEU  78           HB2      LEU  78   1.406  -0.489   3.183
  565    HB3  LEU  78           HB1      LEU  78   1.025  -2.005   2.405
  566    HG   LEU  78           HG       LEU  78  -0.588   0.509   2.014
  567   HD11  LEU  78          HD11      LEU  78   1.779  -0.590   0.524
  568   HD12  LEU  78          HD12      LEU  78   1.564   1.021   1.206
  569   HD13  LEU  78          HD13      LEU  78   0.634   0.532  -0.210
  570   HD21  LEU  78          HD21      LEU  78  -1.381  -0.627   0.006
  571   HD22  LEU  78          HD22      LEU  78  -1.801  -1.517   1.469
  572   HD23  LEU  78          HD23      LEU  78  -0.465  -2.066   0.451
  573    H    LYS  79           HN       LYS  79   1.179  -3.394   4.444
  574    HA   LYS  79           HA       LYS  79   0.003  -5.483   3.010
  575    HB2  LYS  79           HB2      LYS  79   1.623  -5.869   5.521
  576    HB3  LYS  79           HB1      LYS  79   1.529  -6.912   4.095
  577    HG2  LYS  79           HG2      LYS  79   2.684  -4.108   4.065
  578    HG3  LYS  79           HG1      LYS  79   3.688  -5.535   4.316
  579    HD2  LYS  79           HD2      LYS  79   3.198  -6.342   2.131
  580    HD3  LYS  79           HD1      LYS  79   1.878  -5.189   1.925
  581    HE2  LYS  79           HE2      LYS  79   4.735  -4.344   2.319
  582    HE3  LYS  79           HE1      LYS  79   4.041  -4.638   0.719
  583    HZ1  LYS  79           HZ1      LYS  79   3.935  -2.317   1.255
  584    HZ2  LYS  79           HZ2      LYS  79   3.136  -2.631   2.715
  585    HZ3  LYS  79           HZ3      LYS  79   2.360  -2.937   1.240
  586    H    ASP  80           HN       ASP  80  -0.277  -4.574   6.411
  587    HA   ASP  80           HA       ASP  80  -1.875  -6.764   7.195
  588    HB2  ASP  80           HB2      ASP  80  -0.525  -5.281   8.720
  589    HB3  ASP  80           HB1      ASP  80  -1.752  -4.040   8.501
  590    H    PHE  81           HN       PHE  81  -2.598  -3.682   5.780
  591    HA   PHE  81           HA       PHE  81  -5.395  -3.740   6.359
  592    HB2  PHE  81           HB2      PHE  81  -4.153  -1.618   5.998
  593    HB3  PHE  81           HB1      PHE  81  -3.908  -2.073   4.313
  594    HD1  PHE  81           HD1      PHE  81  -6.573  -1.400   6.826
  595    HD2  PHE  81           HD2      PHE  81  -5.480  -1.522   2.710
  596    HE1  PHE  81           HE1      PHE  81  -8.706  -0.333   6.224
  597    HE2  PHE  81           HE2      PHE  81  -7.611  -0.461   2.105
  598    HZ   PHE  81           HZ       PHE  81  -9.271   0.067   3.894
  599    H    MET  82           HN       MET  82  -3.348  -4.682   3.671
  600    HA   MET  82           HA       MET  82  -5.313  -4.980   1.689
  601    HB2  MET  82           HB2      MET  82  -2.815  -6.621   1.965
  602    HB3  MET  82           HB1      MET  82  -3.726  -6.328   0.489
  603    HG2  MET  82           HG2      MET  82  -3.195  -3.912   0.699
  604    HG3  MET  82           HG1      MET  82  -2.184  -4.303   2.090
  605    HE1  MET  82           HE1      MET  82  -1.299  -5.001  -2.325
  606    HE2  MET  82           HE2      MET  82  -2.121  -3.602  -1.628
  607    HE3  MET  82           HE3      MET  82  -2.897  -5.187  -1.598
  608    H    LEU  83           HN       LEU  83  -3.888  -7.448   3.816
  609    HA   LEU  83           HA       LEU  83  -5.824  -9.405   3.002
  610    HB2  LEU  83           HB2      LEU  83  -3.787  -9.419   5.244
  611    HB3  LEU  83           HB1      LEU  83  -4.808 -10.784   4.854
  612    HG   LEU  83           HG       LEU  83  -3.723 -10.775   2.549
  613   HD11  LEU  83          HD11      LEU  83  -2.825  -8.530   2.568
  614   HD12  LEU  83          HD12      LEU  83  -1.529  -9.711   2.373
  615   HD13  LEU  83          HD13      LEU  83  -1.787  -8.934   3.936
  616   HD21  LEU  83          HD21      LEU  83  -1.942 -11.294   4.936
  617   HD22  LEU  83          HD22      LEU  83  -1.720 -11.952   3.315
  618   HD23  LEU  83          HD23      LEU  83  -3.128 -12.419   4.270
  619    H    GLY  84           HN       GLY  84  -5.319  -7.340   5.805
  620    HA2  GLY  84           HA2      GLY  84  -7.424  -6.478   6.811
  621    HA3  GLY  84           HA1      GLY  84  -7.993  -8.144   6.773
  622    H    SER  85           HN       SER  85  -7.454  -6.159   8.998
  623    HA   SER  85           HA       SER  85  -5.262  -7.316  10.482
  624    HB2  SER  85           HB2      SER  85  -7.324  -5.343  11.479
  625    HB3  SER  85           HB1      SER  85  -5.687  -5.592  12.082
  626    HG   SER  85           HG       SER  85  -4.875  -4.731  10.163
  627    H    GLY  86           HN       GLY  86  -7.360  -9.169   9.848
  628    HA2  GLY  86           HA2      GLY  86  -8.774 -10.709  10.820
  629    HA3  GLY  86           HA1      GLY  86  -8.025 -10.284  12.358
  630    H    ASP  87           HN       ASP  87  -9.977  -8.480  10.024
  631    HA   ASP  87           HA       ASP  87 -11.985  -7.880  12.044
  632    HB2  ASP  87           HB2      ASP  87 -10.455  -6.143  12.556
  633    HB3  ASP  87           HB1      ASP  87 -10.081  -5.859  10.862
  634    H    ALA  88           HN       ALA  88 -13.859  -6.844  11.144
  635    HA   ALA  88           HA       ALA  88 -15.409  -6.284   9.624
  636    HB1  ALA  88           HB1      ALA  88 -14.850  -5.756   7.342
  637    HB2  ALA  88           HB2      ALA  88 -13.264  -6.507   7.525
  638    HB3  ALA  88           HB3      ALA  88 -13.658  -5.047   8.432
  639    H    GLY  89           HN       GLY  89 -16.884  -7.292   8.348
  640    HA2  GLY  89           HA2      GLY  89 -16.766  -9.428   6.721
  641    HA3  GLY  89           HA1      GLY  89 -16.669 -10.173   8.312
  642   H282  PNS  90          H28A      PNS  44  -1.862  15.797  -3.432
  643   H281  PNS  90          H28B      PNS  44  -1.883  14.033  -3.470
  644   H303  PNS  90          H30A      PNS  44  -2.468  13.152  -5.459
  645   H302  PNS  90          H30B      PNS  44  -1.628  14.617  -5.966
  646   H301  PNS  90          H30C      PNS  44  -3.158  14.175  -6.722
  647   H313  PNS  90          H31A      PNS  44  -5.232  14.898  -3.740
  648   H312  PNS  90          H31B      PNS  44  -4.609  13.316  -4.209
  649   H311  PNS  90          H31C      PNS  44  -5.295  14.391  -5.428
  650    H32  PNS  90          H32A      PNS  44  -2.560  16.908  -5.252
  651    H33  PNS  90          H33A      PNS  44  -3.828  17.301  -6.984
  652    H36  PNS  90          H36A      PNS  44  -5.436  17.886  -5.928
  653   H372  PNS  90          H37A      PNS  44  -6.924  18.210  -3.571
  654   H371  PNS  90          H37B      PNS  44  -5.834  19.581  -3.753
  655   H382  PNS  90          H38A      PNS  44  -7.933  18.680  -5.714
  656   H381  PNS  90          H38B      PNS  44  -7.994  20.109  -4.689
  657    H41  PNS  90          H41A      PNS  44  -8.363  21.307  -6.573
  658   H422  PNS  90          H42A      PNS  44  -6.695  23.027  -7.555
  659   H421  PNS  90          H42B      PNS  44  -6.170  21.625  -8.489
  660   H431  PNS  90          H43A      PNS  44  -8.373  21.396  -9.450
  661   H432  PNS  90          H43B      PNS  44  -7.761  23.028  -9.724
  662    H44  PNS  90           H1       PNS  44 -10.516  23.141  -9.224
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1 -16.078   3.414   6.917
    2    H2   ALA   1           HT2      ALA   1 -14.582   3.535   7.699
    3    H3   ALA   1           HT3      ALA   1 -15.420   4.943   7.247
    4    HA   ALA   1           HA       ALA   1 -15.649   4.610   9.588
    5    HB1  ALA   1           HB1      ALA   1 -18.074   4.601   9.757
    6    HB2  ALA   1           HB2      ALA   1 -18.204   3.912   8.139
    7    HB3  ALA   1           HB3      ALA   1 -17.561   5.541   8.354
    8    H    MET   2           HN       MET   2 -17.035   1.859   7.788
    9    HA   MET   2           HA       MET   2 -16.145   0.135   9.995
   10    HB2  MET   2           HB2      MET   2 -18.084  -1.322   9.655
   11    HB3  MET   2           HB1      MET   2 -18.588   0.300  10.107
   12    HG2  MET   2           HG2      MET   2 -18.498  -0.586   7.242
   13    HG3  MET   2           HG1      MET   2 -19.892  -0.901   8.274
   14    HE1  MET   2           HE1      MET   2 -21.371   0.990   9.380
   15    HE2  MET   2           HE2      MET   2 -21.069   2.719   9.188
   16    HE3  MET   2           HE3      MET   2 -19.939   1.722  10.103
   17    H    ALA   3           HN       ALA   3 -15.902  -2.143   9.289
   18    HA   ALA   3           HA       ALA   3 -15.000  -3.750   7.981
   19    HB1  ALA   3           HB1      ALA   3 -16.634  -3.224   6.245
   20    HB2  ALA   3           HB2      ALA   3 -15.069  -3.634   5.545
   21    HB3  ALA   3           HB3      ALA   3 -15.580  -1.949   5.626
   22    H    LYS   4           HN       LYS   4 -12.939  -4.276   7.657
   23    HA   LYS   4           HA       LYS   4 -10.993  -2.299   6.831
   24    HB2  LYS   4           HB2      LYS   4 -11.337  -1.888   9.271
   25    HB3  LYS   4           HB1      LYS   4 -10.818  -3.538   9.580
   26    HG2  LYS   4           HG2      LYS   4  -8.621  -3.051   8.689
   27    HG3  LYS   4           HG1      LYS   4  -9.134  -1.413   8.269
   28    HD2  LYS   4           HD2      LYS   4  -9.565  -0.963  10.653
   29    HD3  LYS   4           HD1      LYS   4  -8.981  -2.581  11.047
   30    HE2  LYS   4           HE2      LYS   4  -6.789  -2.036  10.167
   31    HE3  LYS   4           HE1      LYS   4  -7.361  -0.443   9.667
   32    HZ1  LYS   4           HZ1      LYS   4  -7.155  -1.443  12.459
   33    HZ2  LYS   4           HZ2      LYS   4  -7.789   0.066  12.012
   34    HZ3  LYS   4           HZ3      LYS   4  -6.156  -0.285  11.729
   35    H    GLY   5           HN       GLY   5 -10.322  -3.586   5.212
   36    HA2  GLY   5           HA2      GLY   5  -8.416  -5.233   4.971
   37    HA3  GLY   5           HA1      GLY   5  -9.446  -6.314   5.905
   38    H    VAL   6           HN       VAL   6  -8.375  -5.967   2.961
   39    HA   VAL   6           HA       VAL   6 -10.897  -6.162   1.528
   40    HB   VAL   6           HB       VAL   6  -8.082  -6.212   0.459
   41   HG11  VAL   6          HG11      VAL   6  -9.160  -5.737  -1.718
   42   HG12  VAL   6          HG12      VAL   6 -10.733  -5.984  -0.957
   43   HG13  VAL   6          HG13      VAL   6  -9.586  -7.318  -1.066
   44   HG21  VAL   6          HG21      VAL   6  -8.582  -4.078   1.493
   45   HG22  VAL   6          HG22      VAL   6 -10.084  -3.968   0.577
   46   HG23  VAL   6          HG23      VAL   6  -8.534  -3.904  -0.262
   47    H    GLY   7           HN       GLY   7  -8.016  -8.077   2.193
   48    HA2  GLY   7           HA2      GLY   7  -7.955 -10.426   2.432
   49    HA3  GLY   7           HA1      GLY   7  -9.525 -10.524   1.641
   50    H    VAL   8           HN       VAL   8  -6.084 -10.148   1.148
   51    HA   VAL   8           HA       VAL   8  -6.505 -10.469  -1.744
   52    HB   VAL   8           HB       VAL   8  -4.591  -9.178  -2.222
   53   HG11  VAL   8          HG11      VAL   8  -4.953  -7.041  -1.152
   54   HG12  VAL   8          HG12      VAL   8  -5.871  -7.817   0.136
   55   HG13  VAL   8          HG13      VAL   8  -6.494  -7.820  -1.514
   56   HG21  VAL   8          HG21      VAL   8  -3.054  -8.340  -0.411
   57   HG22  VAL   8          HG22      VAL   8  -2.969 -10.066  -0.752
   58   HG23  VAL   8          HG23      VAL   8  -3.839  -9.488   0.674
   59    H    SER   9           HN       SER   9  -4.979 -11.773  -2.883
   60    HA   SER   9           HA       SER   9  -4.100 -14.089  -1.492
   61    HB2  SER   9           HB2      SER   9  -3.015 -14.607  -3.736
   62    HB3  SER   9           HB1      SER   9  -4.759 -14.346  -3.774
   63    HG   SER   9           HG       SER   9  -3.676 -13.213  -5.448
   64    H    ASN  10           HN       ASN  10  -1.875 -14.844  -1.325
   65    HA   ASN  10           HA       ASN  10  -0.024 -12.883  -0.427
   66    HB2  ASN  10           HB2      ASN  10  -0.122 -15.416   0.129
   67    HB3  ASN  10           HB1      ASN  10   0.744 -15.650  -1.381
   68   HD21  ASN  10          HD21      ASN  10   2.363 -13.217  -1.080
   69   HD22  ASN  10          HD22      ASN  10   3.521 -13.574   0.157
   70    H    GLU  11           HN       GLU  11  -0.741 -14.361  -3.446
   71    HA   GLU  11           HA       GLU  11   1.409 -13.527  -5.029
   72    HB2  GLU  11           HB2      GLU  11  -0.164 -15.046  -5.944
   73    HB3  GLU  11           HB1      GLU  11  -1.524 -14.012  -5.540
   74    HG2  GLU  11           HG2      GLU  11  -0.479 -12.366  -7.225
   75    HG3  GLU  11           HG1      GLU  11   0.447 -13.769  -7.773
   76    H    LYS  12           HN       LYS  12  -1.561 -11.869  -4.057
   77    HA   LYS  12           HA       LYS  12  -1.033  -9.527  -5.595
   78    HB2  LYS  12           HB2      LYS  12  -3.302 -10.342  -4.674
   79    HB3  LYS  12           HB1      LYS  12  -2.797  -9.613  -3.155
   80    HG2  LYS  12           HG2      LYS  12  -4.096  -7.962  -4.155
   81    HG3  LYS  12           HG1      LYS  12  -2.440  -7.472  -4.512
   82    HD2  LYS  12           HD2      LYS  12  -3.627  -7.169  -6.520
   83    HD3  LYS  12           HD1      LYS  12  -2.716  -8.666  -6.736
   84    HE2  LYS  12           HE2      LYS  12  -5.569  -8.692  -5.778
   85    HE3  LYS  12           HE1      LYS  12  -5.183  -8.609  -7.498
   86    HZ1  LYS  12           HZ1      LYS  12  -5.558 -10.893  -6.721
   87    HZ2  LYS  12           HZ2      LYS  12  -4.248 -10.751  -5.656
   88    HZ3  LYS  12           HZ3      LYS  12  -3.986 -10.679  -7.329
   89    H    LEU  13           HN       LEU  13  -0.182 -10.641  -2.433
   90    HA   LEU  13           HA       LEU  13   0.810  -8.175  -1.404
   91    HB2  LEU  13           HB2      LEU  13   0.338 -10.601  -0.328
   92    HB3  LEU  13           HB1      LEU  13   2.073 -10.772  -0.600
   93    HG   LEU  13           HG       LEU  13   1.902 -10.024   1.651
   94   HD11  LEU  13          HD11      LEU  13   2.797  -7.764   1.703
   95   HD12  LEU  13          HD12      LEU  13   2.381  -7.555   0.001
   96   HD13  LEU  13          HD13      LEU  13   3.581  -8.758   0.476
   97   HD21  LEU  13          HD21      LEU  13  -0.056  -7.921   0.725
   98   HD22  LEU  13          HD22      LEU  13   0.483  -8.205   2.381
   99   HD23  LEU  13          HD23      LEU  13  -0.477  -9.424   1.546
  100    H    ASP  14           HN       ASP  14   2.114 -10.598  -3.617
  101    HA   ASP  14           HA       ASP  14   4.801  -9.595  -3.463
  102    HB2  ASP  14           HB2      ASP  14   3.593 -11.904  -4.445
  103    HB3  ASP  14           HB1      ASP  14   4.157 -11.082  -5.887
  104    H    ALA  15           HN       ALA  15   1.943  -8.877  -5.202
  105    HA   ALA  15           HA       ALA  15   3.294  -7.496  -7.366
  106    HB1  ALA  15           HB1      ALA  15   1.084  -7.157  -8.290
  107    HB2  ALA  15           HB2      ALA  15   0.348  -7.693  -6.781
  108    HB3  ALA  15           HB3      ALA  15   1.252  -8.837  -7.768
  109    H    VAL  16           HN       VAL  16   2.001  -6.716  -4.275
  110    HA   VAL  16           HA       VAL  16   1.513  -3.950  -4.923
  111    HB   VAL  16           HB       VAL  16   0.096  -4.845  -3.233
  112   HG11  VAL  16          HG11      VAL  16   2.569  -5.480  -1.615
  113   HG12  VAL  16          HG12      VAL  16   1.566  -6.662  -2.459
  114   HG13  VAL  16          HG13      VAL  16   0.895  -5.734  -1.116
  115   HG21  VAL  16          HG21      VAL  16   0.535  -3.311  -1.350
  116   HG22  VAL  16          HG22      VAL  16   0.703  -2.523  -2.919
  117   HG23  VAL  16          HG23      VAL  16   2.141  -2.991  -2.010
  118    H    MET  17           HN       MET  17   4.024  -5.760  -3.228
  119    HA   MET  17           HA       MET  17   5.329  -3.539  -2.124
  120    HB2  MET  17           HB2      MET  17   6.554  -6.207  -2.862
  121    HB3  MET  17           HB1      MET  17   7.206  -5.040  -1.732
  122    HG2  MET  17           HG2      MET  17   5.082  -5.324  -0.396
  123    HG3  MET  17           HG1      MET  17   4.735  -6.694  -1.440
  124    HE1  MET  17           HE1      MET  17   7.678  -9.137  -0.626
  125    HE2  MET  17           HE2      MET  17   7.604  -7.952  -1.932
  126    HE3  MET  17           HE3      MET  17   6.181  -8.911  -1.530
  127    H    ARG  18           HN       ARG  18   5.562  -4.989  -5.305
  128    HA   ARG  18           HA       ARG  18   7.926  -3.643  -6.109
  129    HB2  ARG  18           HB2      ARG  18   7.118  -4.155  -8.435
  130    HB3  ARG  18           HB1      ARG  18   7.317  -5.541  -7.373
  131    HG2  ARG  18           HG2      ARG  18   5.006  -5.779  -7.065
  132    HG3  ARG  18           HG1      ARG  18   4.666  -4.190  -7.750
  133    HD2  ARG  18           HD2      ARG  18   5.868  -6.463  -9.304
  134    HD3  ARG  18           HD1      ARG  18   4.136  -6.155  -9.224
  135    HE   ARG  18           HE       ARG  18   6.090  -4.241 -10.336
  136   HH11  ARG  18          HH11      ARG  18   2.893  -5.670 -10.280
  137   HH12  ARG  18          HH12      ARG  18   2.345  -4.844 -11.709
  138   HH21  ARG  18          HH21      ARG  18   5.399  -3.162 -12.225
  139   HH22  ARG  18          HH22      ARG  18   3.794  -3.440 -12.832
  140    H    VAL  19           HN       VAL  19   4.530  -2.758  -6.098
  141    HA   VAL  19           HA       VAL  19   4.903  -0.448  -7.772
  142    HB   VAL  19           HB       VAL  19   2.605  -1.343  -6.010
  143   HG11  VAL  19          HG11      VAL  19   1.257   0.407  -7.062
  144   HG12  VAL  19          HG12      VAL  19   2.681   1.006  -7.902
  145   HG13  VAL  19          HG13      VAL  19   2.592   1.097  -6.143
  146   HG21  VAL  19          HG21      VAL  19   2.971  -2.728  -7.983
  147   HG22  VAL  19          HG22      VAL  19   2.950  -1.297  -9.012
  148   HG23  VAL  19          HG23      VAL  19   1.492  -1.792  -8.162
  149    H    VAL  20           HN       VAL  20   4.716  -1.186  -4.376
  150    HA   VAL  20           HA       VAL  20   4.850   1.440  -3.360
  151    HB   VAL  20           HB       VAL  20   5.435  -1.294  -2.239
  152   HG11  VAL  20          HG11      VAL  20   7.162   0.146  -1.274
  153   HG12  VAL  20          HG12      VAL  20   5.956  -0.289  -0.060
  154   HG13  VAL  20          HG13      VAL  20   5.930   1.314  -0.795
  155   HG21  VAL  20          HG21      VAL  20   3.119  -0.580  -2.360
  156   HG22  VAL  20          HG22      VAL  20   3.508   0.915  -1.508
  157   HG23  VAL  20          HG23      VAL  20   3.638  -0.637  -0.676
  158    H    SER  21           HN       SER  21   7.310  -0.841  -4.403
  159    HA   SER  21           HA       SER  21   9.475   0.627  -3.192
  160    HB2  SER  21           HB2      SER  21   9.120  -1.963  -4.074
  161    HB3  SER  21           HB1      SER  21  10.215  -1.283  -5.277
  162    HG   SER  21           HG       SER  21  11.669  -0.815  -3.710
  163    H    GLU  22           HN       GLU  22   7.759   0.607  -6.144
  164    HA   GLU  22           HA       GLU  22   9.766   1.755  -7.781
  165    HB2  GLU  22           HB2      GLU  22   8.295   0.346  -8.869
  166    HB3  GLU  22           HB1      GLU  22   6.914   0.929  -7.962
  167    HG2  GLU  22           HG2      GLU  22   6.699   2.817  -9.285
  168    HG3  GLU  22           HG1      GLU  22   8.311   2.610  -9.970
  169    H    GLU  23           HN       GLU  23   6.818   2.897  -6.164
  170    HA   GLU  23           HA       GLU  23   7.126   5.592  -7.034
  171    HB2  GLU  23           HB2      GLU  23   5.460   4.354  -4.837
  172    HB3  GLU  23           HB1      GLU  23   5.365   6.052  -5.286
  173    HG2  GLU  23           HG2      GLU  23   4.949   3.831  -7.246
  174    HG3  GLU  23           HG1      GLU  23   3.637   4.481  -6.265
  175    H    SER  24           HN       SER  24   8.051   3.813  -4.114
  176    HA   SER  24           HA       SER  24   8.935   6.111  -2.664
  177    HB2  SER  24           HB2      SER  24  10.063   4.441  -1.208
  178    HB3  SER  24           HB1      SER  24   8.357   4.090  -1.458
  179    HG   SER  24           HG       SER  24   8.854   2.340  -2.536
  180    H    GLY  25           HN       GLY  25  10.556   3.655  -4.642
  181    HA2  GLY  25           HA2      GLY  25  12.390   4.322  -6.097
  182    HA3  GLY  25           HA1      GLY  25  12.846   5.513  -4.886
  183    H    ILE  26           HN       ILE  26  11.939   2.712  -3.348
  184    HA   ILE  26           HA       ILE  26  14.721   2.049  -2.765
  185    HB   ILE  26           HB       ILE  26  12.426   0.599  -1.519
  186   HG12  ILE  26          HG12      ILE  26  13.353   3.273  -0.462
  187   HG13  ILE  26          HG11      ILE  26  11.970   3.132  -1.550
  188   HG21  ILE  26          HG21      ILE  26  13.910   0.642   0.446
  189   HG22  ILE  26          HG22      ILE  26  15.086   1.569  -0.488
  190   HG23  ILE  26          HG23      ILE  26  14.686  -0.080  -0.967
  191   HD11  ILE  26          HD11      ILE  26  10.853   1.680   0.076
  192   HD12  ILE  26          HD12      ILE  26  11.271   3.242   0.780
  193   HD13  ILE  26          HD13      ILE  26  12.245   1.819   1.151
  194    H    ALA  27           HN       ALA  27  15.428  -0.148  -2.764
  195    HA   ALA  27           HA       ALA  27  14.562  -1.675  -5.023
  196    HB1  ALA  27           HB1      ALA  27  16.266  -3.296  -4.298
  197    HB2  ALA  27           HB2      ALA  27  16.489  -2.381  -2.805
  198    HB3  ALA  27           HB3      ALA  27  16.908  -1.653  -4.356
  199    H    LEU  28           HN       LEU  28  13.396  -3.529  -5.080
  200    HA   LEU  28           HA       LEU  28  11.359  -3.915  -3.206
  201    HB2  LEU  28           HB2      LEU  28  10.984  -4.634  -5.412
  202    HB3  LEU  28           HB1      LEU  28  12.463  -5.569  -5.458
  203    HG   LEU  28           HG       LEU  28  11.440  -7.200  -3.887
  204   HD11  LEU  28          HD11      LEU  28   9.810  -5.759  -2.800
  205   HD12  LEU  28          HD12      LEU  28   9.019  -7.151  -3.536
  206   HD13  LEU  28          HD13      LEU  28   8.938  -5.576  -4.319
  207   HD21  LEU  28          HD21      LEU  28   9.882  -6.694  -6.417
  208   HD22  LEU  28          HD22      LEU  28   9.987  -8.226  -5.549
  209   HD23  LEU  28          HD23      LEU  28  11.423  -7.540  -6.306
  210    H    GLU  29           HN       GLU  29  14.527  -5.416  -3.507
  211    HA   GLU  29           HA       GLU  29  13.989  -7.549  -1.681
  212    HB2  GLU  29           HB2      GLU  29  16.693  -6.483  -2.459
  213    HB3  GLU  29           HB1      GLU  29  16.291  -8.094  -1.874
  214    HG2  GLU  29           HG2      GLU  29  15.319  -6.942  -4.470
  215    HG3  GLU  29           HG1      GLU  29  16.710  -8.015  -4.311
  216    H    GLU  30           HN       GLU  30  14.557  -4.271  -1.309
  217    HA   GLU  30           HA       GLU  30  15.777  -4.604   1.345
  218    HB2  GLU  30           HB2      GLU  30  15.566  -2.105  -0.337
  219    HB3  GLU  30           HB1      GLU  30  16.370  -2.248   1.220
  220    HG2  GLU  30           HG2      GLU  30  17.206  -3.692  -1.286
  221    HG3  GLU  30           HG1      GLU  30  17.927  -2.215  -0.659
  222    H    LEU  31           HN       LEU  31  12.853  -4.152  -0.106
  223    HA   LEU  31           HA       LEU  31  11.695  -2.249   1.671
  224    HB2  LEU  31           HB2      LEU  31  10.754  -2.748  -0.564
  225    HB3  LEU  31           HB1      LEU  31  10.334  -4.364  -0.020
  226    HG   LEU  31           HG       LEU  31   8.854  -3.325   1.706
  227   HD11  LEU  31          HD11      LEU  31   8.220  -0.966   1.374
  228   HD12  LEU  31          HD12      LEU  31   9.521  -0.812   0.191
  229   HD13  LEU  31          HD13      LEU  31   9.901  -1.163   1.876
  230   HD21  LEU  31          HD21      LEU  31   8.280  -2.648  -1.171
  231   HD22  LEU  31          HD22      LEU  31   7.084  -2.721   0.122
  232   HD23  LEU  31          HD23      LEU  31   7.942  -4.182  -0.369
  233    H    THR  32           HN       THR  32  11.897  -2.751   3.777
  234    HA   THR  32           HA       THR  32  10.862  -5.369   4.644
  235    HB   THR  32           HB       THR  32  12.351  -5.189   6.613
  236    HG1  THR  32           HG1      THR  32  14.078  -3.365   6.031
  237   HG21  THR  32          HG21      THR  32  13.767  -4.856   3.956
  238   HG22  THR  32          HG22      THR  32  13.282  -6.377   4.712
  239   HG23  THR  32          HG23      THR  32  14.549  -5.394   5.441
  240    H    ASP  33           HN       ASP  33   9.770  -5.371   6.725
  241    HA   ASP  33           HA       ASP  33   7.739  -3.490   7.014
  242    HB2  ASP  33           HB2      ASP  33   7.454  -5.612   7.988
  243    HB3  ASP  33           HB1      ASP  33   8.979  -5.526   8.857
  244    H    ASP  34           HN       ASP  34  10.974  -3.301   8.130
  245    HA   ASP  34           HA       ASP  34  10.626  -1.481  10.271
  246    HB2  ASP  34           HB2      ASP  34  12.640  -2.850  10.058
  247    HB3  ASP  34           HB1      ASP  34  13.051  -2.033   8.548
  248    H    SER  35           HN       SER  35  10.506  -1.101   6.880
  249    HA   SER  35           HA       SER  35  11.525   1.581   6.718
  250    HB2  SER  35           HB2      SER  35   9.704   0.141   4.764
  251    HB3  SER  35           HB1      SER  35  10.750   1.520   4.422
  252    HG   SER  35           HG       SER  35  11.983  -0.719   5.504
  253    H    ASN  36           HN       ASN  36  10.343   3.482   6.309
  254    HA   ASN  36           HA       ASN  36   7.520   3.408   7.161
  255    HB2  ASN  36           HB2      ASN  36   8.892   4.110   9.088
  256    HB3  ASN  36           HB1      ASN  36   9.625   5.380   8.116
  257   HD21  ASN  36          HD21      ASN  36   6.245   4.575   7.850
  258   HD22  ASN  36          HD22      ASN  36   5.651   6.008   8.618
  259    H    PHE  37           HN       PHE  37   6.277   4.306   5.639
  260    HA   PHE  37           HA       PHE  37   7.182   5.400   3.275
  261    HB2  PHE  37           HB2      PHE  37   4.562   5.619   4.725
  262    HB3  PHE  37           HB1      PHE  37   4.825   6.485   3.211
  263    HD1  PHE  37           HD1      PHE  37   5.931   4.943   1.298
  264    HD2  PHE  37           HD2      PHE  37   3.611   3.569   4.582
  265    HE1  PHE  37           HE1      PHE  37   5.365   2.897   0.045
  266    HE2  PHE  37           HE2      PHE  37   3.045   1.535   3.350
  267    HZ   PHE  37           HZ       PHE  37   4.051   1.208   0.991
  268    H    ALA  38           HN       ALA  38   6.144   7.090   6.211
  269    HA   ALA  38           HA       ALA  38   6.479   9.690   5.098
  270    HB1  ALA  38           HB1      ALA  38   6.293   8.867   7.986
  271    HB2  ALA  38           HB2      ALA  38   4.917   9.159   6.920
  272    HB3  ALA  38           HB3      ALA  38   6.017  10.480   7.328
  273    H    ASP  39           HN       ASP  39   8.560   7.491   6.846
  274    HA   ASP  39           HA       ASP  39  10.601   9.416   7.447
  275    HB2  ASP  39           HB2      ASP  39  10.460   7.427   8.818
  276    HB3  ASP  39           HB1      ASP  39  10.589   6.389   7.406
  277    H    MET  40           HN       MET  40   9.851   7.275   4.816
  278    HA   MET  40           HA       MET  40  12.377   7.587   3.486
  279    HB2  MET  40           HB2      MET  40   9.789   6.272   2.849
  280    HB3  MET  40           HB1      MET  40  10.774   6.767   1.480
  281    HG2  MET  40           HG2      MET  40  11.205   4.460   2.065
  282    HG3  MET  40           HG1      MET  40  12.642   5.442   2.325
  283    HE1  MET  40           HE1      MET  40  12.648   2.618   3.513
  284    HE2  MET  40           HE2      MET  40  13.167   2.908   5.172
  285    HE3  MET  40           HE3      MET  40  13.904   3.810   3.845
  286    H    GLY  41           HN       GLY  41   9.465   9.383   3.680
  287    HA2  GLY  41           HA2      GLY  41   9.410  11.693   2.996
  288    HA3  GLY  41           HA1      GLY  41  10.595  11.311   1.752
  289    H    ILE  42           HN       ILE  42   7.850   9.233   2.276
  290    HA   ILE  42           HA       ILE  42   6.923   9.559  -0.395
  291    HB   ILE  42           HB       ILE  42   5.661   8.236   2.016
  292   HG12  ILE  42          HG12      ILE  42   7.730   7.259   1.068
  293   HG13  ILE  42          HG11      ILE  42   6.340   6.181   0.954
  294   HG21  ILE  42          HG21      ILE  42   4.659   8.367  -0.818
  295   HG22  ILE  42          HG22      ILE  42   3.825   8.876   0.656
  296   HG23  ILE  42          HG23      ILE  42   4.122   7.163   0.354
  297   HD11  ILE  42          HD11      ILE  42   6.081   6.828  -1.408
  298   HD12  ILE  42          HD12      ILE  42   7.646   6.092  -1.071
  299   HD13  ILE  42          HD13      ILE  42   7.518   7.840  -1.268
  300    H    ASP  43           HN       ASP  43   6.078  11.373  -1.076
  301    HA   ASP  43           HA       ASP  43   4.777  13.213   0.738
  302    HB2  ASP  43           HB2      ASP  43   5.998  13.348  -1.890
  303    HB3  ASP  43           HB1      ASP  43   4.401  14.095  -1.914
  304    H    SER  44           HN       SER  44   2.779  14.313  -0.086
  305    HA   SER  44           HA       SER  44   0.608  12.592   0.076
  306    HB2  SER  44           HB2      SER  44   0.490  14.903   0.739
  307    HB3  SER  44           HB1      SER  44   0.815  15.439  -0.908
  308    H    LEU  45           HN       LEU  45   2.291  13.882  -2.698
  309    HA   LEU  45           HA       LEU  45   0.422  13.222  -4.697
  310    HB2  LEU  45           HB2      LEU  45   2.435  14.762  -4.886
  311    HB3  LEU  45           HB1      LEU  45   3.441  13.326  -4.957
  312    HG   LEU  45           HG       LEU  45   2.918  14.483  -7.151
  313   HD11  LEU  45          HD11      LEU  45   2.682  12.393  -8.389
  314   HD12  LEU  45          HD12      LEU  45   2.206  11.562  -6.907
  315   HD13  LEU  45          HD13      LEU  45   3.834  12.226  -7.062
  316   HD21  LEU  45          HD21      LEU  45   0.763  13.899  -8.201
  317   HD22  LEU  45          HD22      LEU  45   0.566  14.938  -6.793
  318   HD23  LEU  45          HD23      LEU  45   0.222  13.213  -6.670
  319    H    SER  46           HN       SER  46   3.360  11.513  -3.617
  320    HA   SER  46           HA       SER  46   3.075   9.342  -5.384
  321    HB2  SER  46           HB2      SER  46   4.542   9.247  -2.750
  322    HB3  SER  46           HB1      SER  46   4.926   8.395  -4.248
  323    HG   SER  46           HG       SER  46   5.713  10.223  -5.121
  324    H    SER  47           HN       SER  47   2.057   9.816  -2.045
  325    HA   SER  47           HA       SER  47   1.453   7.131  -1.471
  326    HB2  SER  47           HB2      SER  47   0.086   8.111   0.375
  327    HB3  SER  47           HB1      SER  47   1.724   8.765   0.289
  328    HG   SER  47           HG       SER  47  -0.725   9.988  -0.241
  329    H    MET  48           HN       MET  48  -0.376   9.646  -3.088
  330    HA   MET  48           HA       MET  48  -2.847   8.160  -3.051
  331    HB2  MET  48           HB2      MET  48  -2.651  10.693  -3.288
  332    HB3  MET  48           HB1      MET  48  -2.075  10.411  -4.916
  333    HG2  MET  48           HG2      MET  48  -4.292   9.037  -5.135
  334    HG3  MET  48           HG1      MET  48  -4.815  10.074  -3.810
  335    HE1  MET  48           HE1      MET  48  -6.780  10.880  -5.295
  336    HE2  MET  48           HE2      MET  48  -6.254   9.961  -6.708
  337    HE3  MET  48           HE3      MET  48  -6.608  11.683  -6.855
  338    H    VAL  49           HN       VAL  49  -0.148   8.645  -5.175
  339    HA   VAL  49           HA       VAL  49  -1.349   7.528  -7.490
  340    HB   VAL  49           HB       VAL  49   1.560   8.064  -6.801
  341   HG11  VAL  49          HG11      VAL  49   2.099   7.691  -9.119
  342   HG12  VAL  49          HG12      VAL  49   0.411   7.345  -9.500
  343   HG13  VAL  49          HG13      VAL  49   1.326   6.247  -8.469
  344   HG21  VAL  49          HG21      VAL  49  -0.381   9.544  -8.597
  345   HG22  VAL  49          HG22      VAL  49   1.321   9.943  -8.378
  346   HG23  VAL  49          HG23      VAL  49   0.204  10.091  -7.025
  347    H    ILE  50           HN       ILE  50   0.842   6.232  -4.991
  348    HA   ILE  50           HA       ILE  50   1.225   3.679  -5.921
  349    HB   ILE  50           HB       ILE  50   0.654   4.479  -3.066
  350   HG12  ILE  50          HG12      ILE  50   3.281   4.166  -4.532
  351   HG13  ILE  50          HG11      ILE  50   2.529   5.701  -4.115
  352   HG21  ILE  50          HG21      ILE  50   2.033   2.025  -4.155
  353   HG22  ILE  50          HG22      ILE  50   0.441   2.069  -3.397
  354   HG23  ILE  50          HG23      ILE  50   1.879   2.455  -2.452
  355   HD11  ILE  50          HD11      ILE  50   3.451   3.631  -2.133
  356   HD12  ILE  50          HD12      ILE  50   2.791   5.225  -1.762
  357   HD13  ILE  50          HD13      ILE  50   4.342   5.082  -2.590
  358    H    GLY  51           HN       GLY  51  -1.483   4.782  -3.870
  359    HA2  GLY  51           HA2      GLY  51  -2.933   2.365  -3.953
  360    HA3  GLY  51           HA1      GLY  51  -3.600   3.945  -3.563
  361    H    SER  52           HN       SER  52  -2.715   5.024  -6.187
  362    HA   SER  52           HA       SER  52  -4.996   4.397  -7.709
  363    HB2  SER  52           HB2      SER  52  -2.531   6.026  -8.060
  364    HB3  SER  52           HB1      SER  52  -3.593   5.818  -9.430
  365    HG   SER  52           HG       SER  52  -4.183   6.959  -6.897
  366    H    ARG  53           HN       ARG  53  -1.556   3.542  -7.933
  367    HA   ARG  53           HA       ARG  53  -1.728   2.160 -10.390
  368    HB2  ARG  53           HB2      ARG  53   0.240   1.533  -8.195
  369    HB3  ARG  53           HB1      ARG  53   0.437   1.279  -9.922
  370    HG2  ARG  53           HG2      ARG  53   0.095   3.923  -9.931
  371    HG3  ARG  53           HG1      ARG  53   0.761   3.733  -8.311
  372    HD2  ARG  53           HD2      ARG  53   2.691   3.981  -9.515
  373    HD3  ARG  53           HD1      ARG  53   2.501   2.228  -9.560
  374    HE   ARG  53           HE       ARG  53   1.528   3.917 -11.770
  375   HH11  ARG  53          HH11      ARG  53   3.444   1.238 -10.577
  376   HH12  ARG  53          HH12      ARG  53   3.932   0.710 -12.155
  377   HH21  ARG  53          HH21      ARG  53   2.166   3.225 -13.852
  378   HH22  ARG  53          HH22      ARG  53   3.199   1.839 -14.019
  379    H    PHE  54           HN       PHE  54  -2.455   1.259  -7.102
  380    HA   PHE  54           HA       PHE  54  -2.607  -1.527  -7.316
  381    HB2  PHE  54           HB2      PHE  54  -4.343   0.438  -5.787
  382    HB3  PHE  54           HB1      PHE  54  -4.509  -1.302  -5.644
  383    HD1  PHE  54           HD1      PHE  54  -1.206  -1.112  -6.112
  384    HD2  PHE  54           HD2      PHE  54  -4.086   0.104  -3.235
  385    HE1  PHE  54           HE1      PHE  54   0.531  -1.129  -4.373
  386    HE2  PHE  54           HE2      PHE  54  -2.353   0.092  -1.491
  387    HZ   PHE  54           HZ       PHE  54  -0.091  -0.529  -2.014
  388    H    ARG  55           HN       ARG  55  -4.881   0.998  -8.217
  389    HA   ARG  55           HA       ARG  55  -6.924  -0.855  -9.038
  390    HB2  ARG  55           HB2      ARG  55  -6.803   2.098  -9.641
  391    HB3  ARG  55           HB1      ARG  55  -8.230   1.074  -9.527
  392    HG2  ARG  55           HG2      ARG  55  -7.801   0.808  -7.110
  393    HG3  ARG  55           HG1      ARG  55  -6.431   1.911  -7.261
  394    HD2  ARG  55           HD2      ARG  55  -8.250   3.205  -6.472
  395    HD3  ARG  55           HD1      ARG  55  -8.050   3.610  -8.177
  396    HE   ARG  55           HE       ARG  55  -9.960   1.514  -7.752
  397   HH11  ARG  55          HH11      ARG  55  -9.516   4.986  -7.796
  398   HH12  ARG  55          HH12      ARG  55 -11.203   5.325  -8.060
  399   HH21  ARG  55          HH21      ARG  55 -12.181   1.956  -8.060
  400   HH22  ARG  55          HH22      ARG  55 -12.704   3.615  -8.194
  401    H    GLU  56           HN       GLU  56  -4.291   0.841 -10.497
  402    HA   GLU  56           HA       GLU  56  -5.253   0.700 -13.198
  403    HB2  GLU  56           HB2      GLU  56  -2.550   1.338 -12.023
  404    HB3  GLU  56           HB1      GLU  56  -2.891   1.389 -13.745
  405    HG2  GLU  56           HG2      GLU  56  -4.384   3.023 -11.718
  406    HG3  GLU  56           HG1      GLU  56  -2.938   3.589 -12.553
  407    H    ASP  57           HN       ASP  57  -2.499  -0.846 -11.557
  408    HA   ASP  57           HA       ASP  57  -2.106  -2.538 -13.893
  409    HB2  ASP  57           HB2      ASP  57  -0.224  -1.326 -12.738
  410    HB3  ASP  57           HB1      ASP  57  -0.440  -2.416 -11.377
  411    H    LEU  58           HN       LEU  58  -2.801  -2.896 -10.456
  412    HA   LEU  58           HA       LEU  58  -2.782  -5.794 -10.668
  413    HB2  LEU  58           HB2      LEU  58  -2.984  -3.840  -8.406
  414    HB3  LEU  58           HB1      LEU  58  -3.500  -5.494  -8.158
  415    HG   LEU  58           HG       LEU  58  -1.252  -6.299  -8.704
  416   HD11  LEU  58          HD11      LEU  58  -0.622  -4.501 -10.273
  417   HD12  LEU  58          HD12      LEU  58   0.599  -4.779  -9.032
  418   HD13  LEU  58          HD13      LEU  58  -0.482  -3.391  -8.910
  419   HD21  LEU  58          HD21      LEU  58  -1.275  -4.104  -6.638
  420   HD22  LEU  58          HD22      LEU  58  -0.119  -5.437  -6.725
  421   HD23  LEU  58          HD23      LEU  58  -1.820  -5.765  -6.395
  422    H    GLY  59           HN       GLY  59  -5.113  -3.201 -10.136
  423    HA2  GLY  59           HA2      GLY  59  -7.381  -3.357 -10.830
  424    HA3  GLY  59           HA1      GLY  59  -7.256  -5.109 -10.758
  425    H    LEU  60           HN       LEU  60  -5.991  -3.256  -8.139
  426    HA   LEU  60           HA       LEU  60  -7.913  -4.379  -6.303
  427    HB2  LEU  60           HB2      LEU  60  -5.692  -2.389  -5.845
  428    HB3  LEU  60           HB1      LEU  60  -6.613  -3.184  -4.586
  429    HG   LEU  60           HG       LEU  60  -4.858  -4.640  -6.564
  430   HD11  LEU  60          HD11      LEU  60  -3.633  -3.069  -5.046
  431   HD12  LEU  60          HD12      LEU  60  -3.197  -4.769  -4.864
  432   HD13  LEU  60          HD13      LEU  60  -4.256  -4.003  -3.680
  433   HD21  LEU  60          HD21      LEU  60  -6.666  -5.988  -5.622
  434   HD22  LEU  60          HD22      LEU  60  -6.173  -5.524  -3.993
  435   HD23  LEU  60          HD23      LEU  60  -5.099  -6.505  -4.992
  436    H    ASP  61           HN       ASP  61  -9.881  -3.420  -6.020
  437    HA   ASP  61           HA       ASP  61 -10.102  -0.595  -6.731
  438    HB2  ASP  61           HB2      ASP  61 -11.618  -2.276  -7.830
  439    HB3  ASP  61           HB1      ASP  61 -12.361  -2.545  -6.256
  440    H    LEU  62           HN       LEU  62  -9.267   0.268  -4.901
  441    HA   LEU  62           HA       LEU  62 -10.377  -0.359  -2.297
  442    HB2  LEU  62           HB2      LEU  62  -8.372   1.739  -3.089
  443    HB3  LEU  62           HB1      LEU  62  -8.699   1.189  -1.462
  444    HG   LEU  62           HG       LEU  62  -7.520  -0.542  -3.632
  445   HD11  LEU  62          HD11      LEU  62  -5.387  -0.187  -2.565
  446   HD12  LEU  62          HD12      LEU  62  -6.130   0.875  -1.369
  447   HD13  LEU  62          HD13      LEU  62  -6.067   1.363  -3.062
  448   HD21  LEU  62          HD21      LEU  62  -8.620  -1.817  -1.866
  449   HD22  LEU  62          HD22      LEU  62  -7.717  -0.918  -0.645
  450   HD23  LEU  62          HD23      LEU  62  -6.867  -1.983  -1.763
  451    H    GLY  63           HN       GLY  63  -9.740   2.683  -4.000
  452    HA2  GLY  63           HA2      GLY  63 -12.176   3.789  -4.285
  453    HA3  GLY  63           HA1      GLY  63 -11.827   4.060  -2.583
  454    HA   PRO  64           HA       PRO  64  -9.593   7.234  -5.222
  455    HB2  PRO  64           HB2      PRO  64 -11.353   9.231  -5.436
  456    HB3  PRO  64           HB1      PRO  64 -11.438   7.805  -6.484
  457    HG2  PRO  64           HG2      PRO  64 -13.072   8.481  -4.080
  458    HG3  PRO  64           HG1      PRO  64 -13.583   7.737  -5.604
  459    HD2  PRO  64           HD2      PRO  64 -13.014   6.373  -3.233
  460    HD3  PRO  64           HD1      PRO  64 -13.090   5.648  -4.852
  461    H    GLU  65           HN       GLU  65 -10.685   6.906  -2.185
  462    HA   GLU  65           HA       GLU  65  -9.883   9.588  -1.266
  463    HB2  GLU  65           HB2      GLU  65 -11.332   7.461   0.308
  464    HB3  GLU  65           HB1      GLU  65 -11.118   9.155   0.742
  465    HG2  GLU  65           HG2      GLU  65 -12.601   9.872  -0.941
  466    HG3  GLU  65           HG1      GLU  65 -12.625   8.282  -1.704
  467    H    PHE  66           HN       PHE  66  -8.602   6.554  -1.596
  468    HA   PHE  66           HA       PHE  66  -7.427   6.328   1.041
  469    HB2  PHE  66           HB2      PHE  66  -8.318   4.342  -0.170
  470    HB3  PHE  66           HB1      PHE  66  -7.067   4.555  -1.385
  471    HD1  PHE  66           HD2      PHE  66  -7.699   3.655   2.135
  472    HD2  PHE  66           HD1      PHE  66  -4.869   3.811  -1.033
  473    HE1  PHE  66           HE2      PHE  66  -6.174   2.225   3.431
  474    HE2  PHE  66           HE1      PHE  66  -3.345   2.376   0.245
  475    HZ   PHE  66           HZ       PHE  66  -3.990   1.580   2.486
  476    H    SER  67           HN       SER  67  -5.558   7.221   1.590
  477    HA   SER  67           HA       SER  67  -3.449   7.435  -0.451
  478    HB2  SER  67           HB2      SER  67  -4.546   9.667  -0.187
  479    HB3  SER  67           HB1      SER  67  -4.094   9.649   1.519
  480    HG   SER  67           HG       SER  67  -2.657  10.704  -0.201
  481    H    LEU  68           HN       LEU  68  -1.545   6.659   0.232
  482    HA   LEU  68           HA       LEU  68  -1.344   5.363   2.736
  483    HB2  LEU  68           HB2      LEU  68   0.838   6.059   0.783
  484    HB3  LEU  68           HB1      LEU  68   1.001   4.953   2.128
  485    HG   LEU  68           HG       LEU  68  -0.721   4.585  -0.315
  486   HD11  LEU  68          HD11      LEU  68   1.775   3.273   0.717
  487   HD12  LEU  68          HD12      LEU  68   1.553   4.161  -0.798
  488   HD13  LEU  68          HD13      LEU  68   0.770   2.594  -0.564
  489   HD21  LEU  68          HD21      LEU  68  -1.853   3.725   1.667
  490   HD22  LEU  68          HD22      LEU  68  -0.410   2.805   2.094
  491   HD23  LEU  68          HD23      LEU  68  -1.302   2.415   0.622
  492    H    PHE  69           HN       PHE  69  -0.912   8.602   1.974
  493    HA   PHE  69           HA       PHE  69   1.170   9.112   3.896
  494    HB2  PHE  69           HB2      PHE  69   0.898  10.374   1.737
  495    HB3  PHE  69           HB1      PHE  69  -0.582  11.070   2.382
  496    HD1  PHE  69           HD1      PHE  69   2.496  10.504   4.346
  497    HD2  PHE  69           HD2      PHE  69   0.058  13.317   2.280
  498    HE1  PHE  69           HE1      PHE  69   3.797  12.346   5.324
  499    HE2  PHE  69           HE2      PHE  69   1.356  15.169   3.266
  500    HZ   PHE  69           HZ       PHE  69   3.229  14.679   4.789
  501    H    ILE  70           HN       ILE  70  -2.172   8.632   3.957
  502    HA   ILE  70           HA       ILE  70  -2.346   9.980   6.576
  503    HB   ILE  70           HB       ILE  70  -4.546   9.867   4.479
  504   HG12  ILE  70          HG12      ILE  70  -3.029  12.195   5.674
  505   HG13  ILE  70          HG11      ILE  70  -2.859  11.591   4.031
  506   HG21  ILE  70          HG21      ILE  70  -4.647  11.037   7.257
  507   HG22  ILE  70          HG22      ILE  70  -5.433   9.542   6.741
  508   HG23  ILE  70          HG23      ILE  70  -5.928  11.085   6.045
  509   HD11  ILE  70          HD11      ILE  70  -5.164  12.230   3.546
  510   HD12  ILE  70          HD12      ILE  70  -4.213  13.610   4.094
  511   HD13  ILE  70          HD13      ILE  70  -5.350  12.829   5.193
  512    H    ASP  71           HN       ASP  71  -3.411   7.313   4.514
  513    HA   ASP  71           HA       ASP  71  -4.879   6.126   6.742
  514    HB2  ASP  71           HB2      ASP  71  -4.728   5.285   3.831
  515    HB3  ASP  71           HB1      ASP  71  -5.772   4.590   5.054
  516    H    CYS  72           HN       CYS  72  -1.782   6.161   6.047
  517    HA   CYS  72           HA       CYS  72  -1.253   3.529   7.045
  518    HB2  CYS  72           HB2      CYS  72  -0.469   4.257   4.218
  519    HB3  CYS  72           HB1      CYS  72   0.317   2.971   5.125
  520    HG   CYS  72           HG       CYS  72  -2.940   2.530   5.222
  521    H    THR  73           HN       THR  73   1.047   3.256   7.524
  522    HA   THR  73           HA       THR  73   2.522   5.802   7.629
  523    HB   THR  73           HB       THR  73   3.156   5.268   9.974
  524    HG1  THR  73           HG1      THR  73   1.172   3.470  10.476
  525   HG21  THR  73          HG21      THR  73   1.283   6.743   9.652
  526   HG22  THR  73          HG22      THR  73   0.887   5.643  10.976
  527   HG23  THR  73          HG23      THR  73   0.204   5.377   9.367
  528    H    THR  74           HN       THR  74   3.265   2.580   8.965
  529    HA   THR  74           HA       THR  74   5.808   2.582   7.574
  530    HB   THR  74           HB       THR  74   6.241   0.473   8.752
  531    HG1  THR  74           HG1      THR  74   4.679  -0.456  10.052
  532   HG21  THR  74          HG21      THR  74   5.045   2.582  10.557
  533   HG22  THR  74          HG22      THR  74   6.687   2.590   9.917
  534   HG23  THR  74          HG23      THR  74   6.186   1.331  11.049
  535    H    VAL  75           HN       VAL  75   6.246  -0.060   6.915
  536    HA   VAL  75           HA       VAL  75   4.731  -0.254   4.480
  537    HB   VAL  75           HB       VAL  75   6.391  -2.563   5.295
  538   HG11  VAL  75          HG11      VAL  75   5.396  -2.497   3.095
  539   HG12  VAL  75          HG12      VAL  75   7.148  -2.350   2.948
  540   HG13  VAL  75          HG13      VAL  75   6.126  -0.923   2.782
  541   HG21  VAL  75          HG21      VAL  75   8.461  -1.337   4.640
  542   HG22  VAL  75          HG22      VAL  75   7.771  -0.848   6.186
  543   HG23  VAL  75          HG23      VAL  75   7.538   0.161   4.755
  544    H    ARG  76           HN       ARG  76   4.955  -2.119   7.492
  545    HA   ARG  76           HA       ARG  76   3.153  -4.135   6.806
  546    HB2  ARG  76           HB2      ARG  76   4.527  -4.230   8.817
  547    HB3  ARG  76           HB1      ARG  76   3.579  -2.925   9.524
  548    HG2  ARG  76           HG2      ARG  76   1.597  -4.321   9.497
  549    HG3  ARG  76           HG1      ARG  76   2.497  -5.619   8.709
  550    HD2  ARG  76           HD2      ARG  76   2.948  -4.501  11.472
  551    HD3  ARG  76           HD1      ARG  76   2.318  -6.097  11.059
  552    HE   ARG  76           HE       ARG  76   4.934  -5.534   9.975
  553   HH11  ARG  76          HH11      ARG  76   3.119  -6.841  12.682
  554   HH12  ARG  76          HH12      ARG  76   4.472  -7.744  13.312
  555   HH21  ARG  76          HH21      ARG  76   6.704  -6.733  10.818
  556   HH22  ARG  76          HH22      ARG  76   6.486  -7.701  12.241
  557    H    ALA  77           HN       ALA  77   2.604  -0.887   7.965
  558    HA   ALA  77           HA       ALA  77  -0.077  -0.961   8.618
  559    HB1  ALA  77           HB1      ALA  77  -0.130   1.403   8.087
  560    HB2  ALA  77           HB2      ALA  77   1.336   1.241   7.119
  561    HB3  ALA  77           HB3      ALA  77   1.404   1.004   8.866
  562    H    LEU  78           HN       LEU  78   1.450  -1.047   5.472
  563    HA   LEU  78           HA       LEU  78  -1.065  -0.882   4.037
  564    HB2  LEU  78           HB2      LEU  78   1.563  -0.382   3.398
  565    HB3  LEU  78           HB1      LEU  78   1.279  -1.919   2.618
  566    HG   LEU  78           HG       LEU  78  -0.410   0.531   2.180
  567   HD11  LEU  78          HD11      LEU  78   1.877   0.935   1.464
  568   HD12  LEU  78          HD12      LEU  78   0.822   0.740   0.061
  569   HD13  LEU  78          HD13      LEU  78   1.882  -0.579   0.563
  570   HD21  LEU  78          HD21      LEU  78  -1.576  -1.518   1.658
  571   HD22  LEU  78          HD22      LEU  78  -0.210  -2.076   0.685
  572   HD23  LEU  78          HD23      LEU  78  -1.142  -0.670   0.172
  573    H    LYS  79           HN       LYS  79   1.462  -3.271   4.635
  574    HA   LYS  79           HA       LYS  79   0.505  -5.469   3.292
  575    HB2  LYS  79           HB2      LYS  79   1.727  -5.633   6.052
  576    HB3  LYS  79           HB1      LYS  79   1.775  -6.853   4.768
  577    HG2  LYS  79           HG2      LYS  79   2.968  -4.197   4.150
  578    HG3  LYS  79           HG1      LYS  79   3.849  -5.195   5.313
  579    HD2  LYS  79           HD2      LYS  79   3.869  -7.027   3.701
  580    HD3  LYS  79           HD1      LYS  79   2.986  -6.032   2.540
  581    HE2  LYS  79           HE2      LYS  79   5.124  -5.685   1.810
  582    HE3  LYS  79           HE1      LYS  79   4.980  -4.369   2.973
  583    HZ1  LYS  79           HZ1      LYS  79   7.049  -5.493   3.315
  584    HZ2  LYS  79           HZ2      LYS  79   6.288  -6.998   3.424
  585    HZ3  LYS  79           HZ3      LYS  79   6.044  -5.841   4.636
  586    H    ASP  80           HN       ASP  80  -0.044  -4.719   6.694
  587    HA   ASP  80           HA       ASP  80  -1.717  -6.935   7.188
  588    HB2  ASP  80           HB2      ASP  80  -0.320  -5.725   8.874
  589    HB3  ASP  80           HB1      ASP  80  -1.463  -4.390   8.803
  590    H    PHE  81           HN       PHE  81  -2.313  -3.699   6.108
  591    HA   PHE  81           HA       PHE  81  -5.081  -3.605   6.724
  592    HB2  PHE  81           HB2      PHE  81  -3.723  -1.573   6.311
  593    HB3  PHE  81           HB1      PHE  81  -3.568  -2.040   4.616
  594    HD1  PHE  81           HD1      PHE  81  -6.019  -1.091   7.228
  595    HD2  PHE  81           HD2      PHE  81  -5.238  -1.491   3.062
  596    HE1  PHE  81           HE1      PHE  81  -8.124   0.077   6.727
  597    HE2  PHE  81           HE2      PHE  81  -7.347  -0.326   2.556
  598    HZ   PHE  81           HZ       PHE  81  -8.791   0.454   4.387
  599    H    MET  82           HN       MET  82  -3.231  -4.618   3.914
  600    HA   MET  82           HA       MET  82  -5.305  -4.906   2.062
  601    HB2  MET  82           HB2      MET  82  -2.875  -6.658   2.332
  602    HB3  MET  82           HB1      MET  82  -3.858  -6.466   0.889
  603    HG2  MET  82           HG2      MET  82  -3.228  -4.056   0.850
  604    HG3  MET  82           HG1      MET  82  -2.139  -4.374   2.201
  605    HE1  MET  82           HE1      MET  82  -1.970  -3.527  -1.277
  606    HE2  MET  82           HE2      MET  82  -2.968  -4.961  -1.514
  607    HE3  MET  82           HE3      MET  82  -1.332  -4.905  -2.178
  608    H    LEU  83           HN       LEU  83  -4.058  -7.230   4.430
  609    HA   LEU  83           HA       LEU  83  -6.083  -9.162   3.783
  610    HB2  LEU  83           HB2      LEU  83  -4.088  -9.042   6.050
  611    HB3  LEU  83           HB1      LEU  83  -5.181 -10.380   5.787
  612    HG   LEU  83           HG       LEU  83  -4.063 -10.708   3.532
  613   HD11  LEU  83          HD11      LEU  83  -2.010  -8.847   4.692
  614   HD12  LEU  83          HD12      LEU  83  -3.055  -8.505   3.314
  615   HD13  LEU  83          HD13      LEU  83  -1.849  -9.788   3.208
  616   HD21  LEU  83          HD21      LEU  83  -2.104 -11.852   4.476
  617   HD22  LEU  83          HD22      LEU  83  -3.556 -12.165   5.426
  618   HD23  LEU  83          HD23      LEU  83  -2.355 -11.006   6.003
  619    H    GLY  84           HN       GLY  84  -5.467  -6.857   6.391
  620    HA2  GLY  84           HA2      GLY  84  -7.679  -5.796   7.096
  621    HA3  GLY  84           HA1      GLY  84  -8.140  -7.451   7.479
  622    H    SER  85           HN       SER  85  -7.041  -8.551   9.137
  623    HA   SER  85           HA       SER  85  -4.933  -7.462  10.673
  624    HB2  SER  85           HB2      SER  85  -6.902  -5.963  11.363
  625    HB3  SER  85           HB1      SER  85  -7.595  -7.395  12.123
  626    HG   SER  85           HG       SER  85  -4.966  -6.988  12.777
  627    H    GLY  86           HN       GLY  86  -5.723  -9.867   9.368
  628    HA2  GLY  86           HA2      GLY  86  -4.976 -11.982  10.680
  629    HA3  GLY  86           HA1      GLY  86  -6.522 -11.709  11.477
  630    H    ASP  87           HN       ASP  87  -6.093 -14.034  10.132
  631    HA   ASP  87           HA       ASP  87  -8.051 -13.790   7.982
  632    HB2  ASP  87           HB2      ASP  87  -5.954 -13.876   6.786
  633    HB3  ASP  87           HB1      ASP  87  -5.407 -15.248   7.748
  634    H    ALA  88           HN       ALA  88  -9.672 -15.119   8.334
  635    HA   ALA  88           HA       ALA  88 -10.931 -16.875   8.998
  636    HB1  ALA  88           HB1      ALA  88  -8.417 -18.458   8.509
  637    HB2  ALA  88           HB2      ALA  88  -9.567 -17.961   7.270
  638    HB3  ALA  88           HB3      ALA  88 -10.067 -19.083   8.536
  639    H    GLY  89           HN       GLY  89 -11.132 -16.064  11.156
  640    HA2  GLY  89           HA2      GLY  89 -10.149 -18.041  13.072
  641    HA3  GLY  89           HA1      GLY  89  -9.699 -16.370  13.381
  642   H282  PNS  90          H28A      PNS  44  -1.334  15.874  -3.778
  643   H281  PNS  90          H28B      PNS  44  -1.496  14.238  -3.138
  644   H303  PNS  90          H30A      PNS  44  -3.080  13.489  -6.191
  645   H302  PNS  90          H30B      PNS  44  -2.085  12.928  -4.844
  646   H301  PNS  90          H30C      PNS  44  -1.512  14.235  -5.882
  647   H313  PNS  90          H31A      PNS  44  -4.743  14.928  -3.224
  648   H312  PNS  90          H31B      PNS  44  -4.059  13.309  -3.371
  649   H311  PNS  90          H31C      PNS  44  -5.011  13.989  -4.692
  650    H32  PNS  90          H32A      PNS  44  -2.528  16.535  -5.694
  651    H33  PNS  90          H33A      PNS  44  -4.209  14.713  -6.552
  652    H36  PNS  90          H36A      PNS  44  -5.679  16.929  -5.857
  653   H372  PNS  90          H37A      PNS  44  -6.873  17.851  -3.629
  654   H371  PNS  90          H37B      PNS  44  -5.792  19.180  -4.059
  655   H382  PNS  90          H38A      PNS  44  -6.846  19.424  -6.196
  656   H381  PNS  90          H38B      PNS  44  -7.800  17.968  -5.946
  657    H41  PNS  90          H41A      PNS  44  -7.974  19.056  -3.013
  658   H422  PNS  90          H42A      PNS  44  -9.544  21.402  -3.048
  659   H421  PNS  90          H42B      PNS  44 -10.590  19.985  -3.093
  660   H431  PNS  90          H43A      PNS  44  -8.532  20.622  -0.987
  661   H432  PNS  90          H43B      PNS  44  -9.485  19.143  -1.052
  662    H44  PNS  90           H1       PNS  44 -11.935  20.422  -0.674
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1 -25.451  -5.867   5.293
    2    H2   ALA   1           HT2      ALA   1 -24.803  -5.705   6.852
    3    H3   ALA   1           HT3      ALA   1 -23.771  -5.904   5.521
    4    HA   ALA   1           HA       ALA   1 -24.472  -3.785   4.621
    5    HB1  ALA   1           HB1      ALA   1 -26.735  -3.779   5.558
    6    HB2  ALA   1           HB2      ALA   1 -25.870  -2.293   5.955
    7    HB3  ALA   1           HB3      ALA   1 -26.065  -3.551   7.175
    8    H    MET   2           HN       MET   2 -23.032  -2.181   4.934
    9    HA   MET   2           HA       MET   2 -21.267  -1.029   5.739
   10    HB2  MET   2           HB2      MET   2 -22.826  -0.436   7.568
   11    HB3  MET   2           HB1      MET   2 -22.265  -1.831   8.477
   12    HG2  MET   2           HG2      MET   2 -21.168   0.092   9.334
   13    HG3  MET   2           HG1      MET   2 -19.979  -0.855   8.443
   14    HE1  MET   2           HE1      MET   2 -22.127   2.406   8.567
   15    HE2  MET   2           HE2      MET   2 -22.801   1.600   7.149
   16    HE3  MET   2           HE3      MET   2 -21.868   3.086   6.960
   17    H    ALA   3           HN       ALA   3 -20.005  -2.752   4.728
   18    HA   ALA   3           HA       ALA   3 -18.147  -3.859   6.651
   19    HB1  ALA   3           HB1      ALA   3 -19.768  -5.673   6.341
   20    HB2  ALA   3           HB2      ALA   3 -18.187  -6.092   5.678
   21    HB3  ALA   3           HB3      ALA   3 -19.497  -5.614   4.599
   22    H    LYS   4           HN       LYS   4 -16.120  -3.774   5.898
   23    HA   LYS   4           HA       LYS   4 -15.672  -3.403   3.029
   24    HB2  LYS   4           HB2      LYS   4 -15.849  -1.156   4.073
   25    HB3  LYS   4           HB1      LYS   4 -14.533  -1.581   5.158
   26    HG2  LYS   4           HG2      LYS   4 -13.764  -0.185   3.322
   27    HG3  LYS   4           HG1      LYS   4 -13.023  -1.783   3.260
   28    HD2  LYS   4           HD2      LYS   4 -14.544  -2.475   1.523
   29    HD3  LYS   4           HD1      LYS   4 -15.429  -0.956   1.644
   30    HE2  LYS   4           HE2      LYS   4 -12.516  -1.116   0.917
   31    HE3  LYS   4           HE1      LYS   4 -13.814  -1.132  -0.276
   32    HZ1  LYS   4           HZ1      LYS   4 -12.897   1.091   0.052
   33    HZ2  LYS   4           HZ2      LYS   4 -13.317   1.048   1.694
   34    HZ3  LYS   4           HZ3      LYS   4 -14.530   1.029   0.507
   35    H    GLY   5           HN       GLY   5 -14.760  -5.446   2.953
   36    HA2  GLY   5           HA2      GLY   5 -12.048  -5.594   4.099
   37    HA3  GLY   5           HA1      GLY   5 -13.141  -6.964   4.251
   38    H    VAL   6           HN       VAL   6 -10.611  -5.853   2.536
   39    HA   VAL   6           HA       VAL   6 -11.469  -6.509  -0.131
   40    HB   VAL   6           HB       VAL   6  -8.668  -6.041   0.869
   41   HG11  VAL   6          HG11      VAL   6  -8.745  -7.208  -1.277
   42   HG12  VAL   6          HG12      VAL   6  -8.131  -5.567  -1.462
   43   HG13  VAL   6          HG13      VAL   6  -9.789  -5.944  -1.929
   44   HG21  VAL   6          HG21      VAL   6 -10.618  -4.111  -0.373
   45   HG22  VAL   6          HG22      VAL   6  -8.935  -3.760   0.028
   46   HG23  VAL   6          HG23      VAL   6 -10.090  -4.116   1.310
   47    H    GLY   7           HN       GLY   7  -8.534  -7.785   1.412
   48    HA2  GLY   7           HA2      GLY   7  -8.010 -10.037   1.889
   49    HA3  GLY   7           HA1      GLY   7  -9.514 -10.525   1.118
   50    H    VAL   8           HN       VAL   8  -6.148  -9.966   0.697
   51    HA   VAL   8           HA       VAL   8  -6.418 -10.409  -2.202
   52    HB   VAL   8           HB       VAL   8  -4.394  -9.256  -2.608
   53   HG11  VAL   8          HG11      VAL   8  -5.808  -7.733  -0.425
   54   HG12  VAL   8          HG12      VAL   8  -6.255  -7.764  -2.130
   55   HG13  VAL   8          HG13      VAL   8  -4.720  -7.052  -1.632
   56   HG21  VAL   8          HG21      VAL   8  -2.973 -10.175  -0.910
   57   HG22  VAL   8          HG22      VAL   8  -3.873  -9.355   0.367
   58   HG23  VAL   8          HG23      VAL   8  -2.919  -8.419  -0.785
   59    H    SER   9           HN       SER   9  -4.840 -11.791  -3.216
   60    HA   SER   9           HA       SER   9  -4.198 -14.102  -1.642
   61    HB2  SER   9           HB2      SER   9  -3.458 -13.434  -4.503
   62    HB3  SER   9           HB1      SER   9  -3.414 -15.034  -3.760
   63    HG   SER   9           HG       SER   9  -5.536 -15.180  -3.888
   64    H    ASN  10           HN       ASN  10  -1.964 -15.046  -1.729
   65    HA   ASN  10           HA       ASN  10  -0.023 -13.289  -0.682
   66    HB2  ASN  10           HB2      ASN  10  -0.143 -15.811  -0.378
   67    HB3  ASN  10           HB1      ASN  10   0.525 -15.960  -2.000
   68   HD21  ASN  10          HD21      ASN  10   1.385 -13.529   0.401
   69   HD22  ASN  10          HD22      ASN  10   3.010 -14.073   0.643
   70    H    GLU  11           HN       GLU  11  -0.727 -14.475  -3.848
   71    HA   GLU  11           HA       GLU  11   1.416 -13.528  -5.366
   72    HB2  GLU  11           HB2      GLU  11  -0.146 -14.883  -6.495
   73    HB3  GLU  11           HB1      GLU  11  -1.515 -13.988  -5.863
   74    HG2  GLU  11           HG2      GLU  11  -0.452 -12.058  -7.344
   75    HG3  GLU  11           HG1      GLU  11   0.185 -13.445  -8.230
   76    H    LYS  12           HN       LYS  12  -1.527 -11.914  -4.335
   77    HA   LYS  12           HA       LYS  12  -0.929  -9.484  -5.696
   78    HB2  LYS  12           HB2      LYS  12  -2.969 -10.259  -3.638
   79    HB3  LYS  12           HB1      LYS  12  -2.863  -8.635  -4.304
   80    HG2  LYS  12           HG2      LYS  12  -2.945  -9.809  -6.599
   81    HG3  LYS  12           HG1      LYS  12  -3.526 -11.201  -5.691
   82    HD2  LYS  12           HD2      LYS  12  -5.497 -10.118  -5.060
   83    HD3  LYS  12           HD1      LYS  12  -4.839  -8.517  -5.420
   84    HE2  LYS  12           HE2      LYS  12  -6.477  -9.342  -7.109
   85    HE3  LYS  12           HE1      LYS  12  -4.887  -8.936  -7.760
   86    HZ1  LYS  12           HZ1      LYS  12  -4.319 -11.310  -7.717
   87    HZ2  LYS  12           HZ2      LYS  12  -5.667 -11.004  -8.701
   88    HZ3  LYS  12           HZ3      LYS  12  -5.881 -11.676  -7.160
   89    H    LEU  13           HN       LEU  13  -0.169 -10.814  -2.611
   90    HA   LEU  13           HA       LEU  13   0.755  -8.380  -1.426
   91    HB2  LEU  13           HB2      LEU  13   0.234 -10.560  -0.232
   92    HB3  LEU  13           HB1      LEU  13   1.765 -11.169  -0.831
   93    HG   LEU  13           HG       LEU  13   2.694  -8.981   0.295
   94   HD11  LEU  13          HD11      LEU  13   1.473  -8.399   2.321
   95   HD12  LEU  13          HD12      LEU  13   0.190  -9.524   1.874
   96   HD13  LEU  13          HD13      LEU  13   0.499  -8.099   0.882
   97   HD21  LEU  13          HD21      LEU  13   3.118 -10.276   2.327
   98   HD22  LEU  13          HD22      LEU  13   3.358 -11.239   0.867
   99   HD23  LEU  13          HD23      LEU  13   1.892 -11.444   1.829
  100    H    ASP  14           HN       ASP  14   2.063 -10.650  -3.726
  101    HA   ASP  14           HA       ASP  14   4.791  -9.778  -3.404
  102    HB2  ASP  14           HB2      ASP  14   3.632 -12.025  -4.432
  103    HB3  ASP  14           HB1      ASP  14   4.009 -11.165  -5.902
  104    H    ALA  15           HN       ALA  15   2.028  -8.884  -5.194
  105    HA   ALA  15           HA       ALA  15   3.468  -7.505  -7.294
  106    HB1  ALA  15           HB1      ALA  15   1.263  -6.952  -8.173
  107    HB2  ALA  15           HB2      ALA  15   0.511  -7.577  -6.705
  108    HB3  ALA  15           HB3      ALA  15   1.365  -8.672  -7.790
  109    H    VAL  16           HN       VAL  16   1.757  -6.713  -4.333
  110    HA   VAL  16           HA       VAL  16   1.589  -3.939  -4.806
  111    HB   VAL  16           HB       VAL  16   0.166  -4.836  -3.137
  112   HG11  VAL  16          HG11      VAL  16   1.006  -5.829  -1.050
  113   HG12  VAL  16          HG12      VAL  16   2.657  -5.704  -1.660
  114   HG13  VAL  16          HG13      VAL  16   1.495  -6.764  -2.465
  115   HG21  VAL  16          HG21      VAL  16   0.937  -2.554  -2.744
  116   HG22  VAL  16          HG22      VAL  16   2.306  -3.166  -1.813
  117   HG23  VAL  16          HG23      VAL  16   0.660  -3.395  -1.218
  118    H    MET  17           HN       MET  17   4.012  -5.909  -3.174
  119    HA   MET  17           HA       MET  17   5.442  -3.797  -2.023
  120    HB2  MET  17           HB2      MET  17   6.382  -6.564  -2.812
  121    HB3  MET  17           HB1      MET  17   7.319  -5.435  -1.859
  122    HG2  MET  17           HG2      MET  17   5.585  -5.421  -0.148
  123    HG3  MET  17           HG1      MET  17   4.657  -6.572  -1.102
  124    HE1  MET  17           HE1      MET  17   8.779  -7.592   0.733
  125    HE2  MET  17           HE2      MET  17   8.038  -5.996   0.842
  126    HE3  MET  17           HE3      MET  17   8.588  -6.606  -0.717
  127    H    ARG  18           HN       ARG  18   5.545  -5.046  -5.308
  128    HA   ARG  18           HA       ARG  18   7.974  -3.639  -5.883
  129    HB2  ARG  18           HB2      ARG  18   7.497  -4.202  -8.267
  130    HB3  ARG  18           HB1      ARG  18   7.660  -5.574  -7.183
  131    HG2  ARG  18           HG2      ARG  18   5.339  -5.983  -7.201
  132    HG3  ARG  18           HG1      ARG  18   4.997  -4.433  -7.970
  133    HD2  ARG  18           HD2      ARG  18   5.945  -5.146 -10.028
  134    HD3  ARG  18           HD1      ARG  18   6.643  -6.582  -9.282
  135    HE   ARG  18           HE       ARG  18   4.491  -7.564  -9.215
  136   HH11  ARG  18          HH11      ARG  18   4.460  -4.429 -10.794
  137   HH12  ARG  18          HH12      ARG  18   3.021  -4.763 -11.709
  138   HH21  ARG  18          HH21      ARG  18   2.599  -8.009 -10.440
  139   HH22  ARG  18          HH22      ARG  18   1.977  -6.803 -11.516
  140    H    VAL  19           HN       VAL  19   4.545  -2.967  -6.191
  141    HA   VAL  19           HA       VAL  19   4.884  -0.624  -7.784
  142    HB   VAL  19           HB       VAL  19   2.637  -1.514  -5.951
  143   HG11  VAL  19          HG11      VAL  19   2.781   0.925  -7.719
  144   HG12  VAL  19          HG12      VAL  19   2.648   0.902  -5.963
  145   HG13  VAL  19          HG13      VAL  19   1.313   0.320  -6.961
  146   HG21  VAL  19          HG21      VAL  19   1.461  -1.955  -8.038
  147   HG22  VAL  19          HG22      VAL  19   3.003  -2.806  -8.039
  148   HG23  VAL  19          HG23      VAL  19   2.814  -1.321  -8.972
  149    H    VAL  20           HN       VAL  20   4.781  -1.353  -4.379
  150    HA   VAL  20           HA       VAL  20   5.062   1.283  -3.401
  151    HB   VAL  20           HB       VAL  20   5.643  -1.456  -2.267
  152   HG11  VAL  20          HG11      VAL  20   6.140   1.159  -0.841
  153   HG12  VAL  20          HG12      VAL  20   7.386   0.031  -1.379
  154   HG13  VAL  20          HG13      VAL  20   6.236  -0.453  -0.130
  155   HG21  VAL  20          HG21      VAL  20   3.716   0.755  -1.555
  156   HG22  VAL  20          HG22      VAL  20   3.908  -0.742  -0.640
  157   HG23  VAL  20          HG23      VAL  20   3.326  -0.797  -2.304
  158    H    SER  21           HN       SER  21   7.347  -1.156  -4.492
  159    HA   SER  21           HA       SER  21   9.673   0.148  -3.521
  160    HB2  SER  21           HB2      SER  21   9.534  -2.303  -4.023
  161    HB3  SER  21           HB1      SER  21   9.455  -1.927  -5.738
  162    HG   SER  21           HG       SER  21  11.580  -1.097  -4.053
  163    H    GLU  22           HN       GLU  22   7.744   0.552  -6.388
  164    HA   GLU  22           HA       GLU  22   9.896   1.760  -7.885
  165    HB2  GLU  22           HB2      GLU  22   6.988   1.256  -8.519
  166    HB3  GLU  22           HB1      GLU  22   8.101   2.056  -9.627
  167    HG2  GLU  22           HG2      GLU  22   9.499   0.088  -9.696
  168    HG3  GLU  22           HG1      GLU  22   8.467  -0.714  -8.518
  169    H    GLU  23           HN       GLU  23   7.098   2.713  -6.054
  170    HA   GLU  23           HA       GLU  23   7.226   5.460  -6.871
  171    HB2  GLU  23           HB2      GLU  23   5.663   3.948  -4.792
  172    HB3  GLU  23           HB1      GLU  23   5.495   5.685  -5.019
  173    HG2  GLU  23           HG2      GLU  23   5.090   3.647  -7.183
  174    HG3  GLU  23           HG1      GLU  23   3.784   4.309  -6.199
  175    H    SER  24           HN       SER  24   8.084   3.640  -3.933
  176    HA   SER  24           HA       SER  24   8.890   5.962  -2.489
  177    HB2  SER  24           HB2      SER  24   9.833   4.348  -0.876
  178    HB3  SER  24           HB1      SER  24   8.169   3.967  -1.304
  179    HG   SER  24           HG       SER  24   8.814   2.232  -2.407
  180    H    GLY  25           HN       GLY  25  10.638   3.449  -4.271
  181    HA2  GLY  25           HA2      GLY  25  12.715   3.946  -5.423
  182    HA3  GLY  25           HA1      GLY  25  13.031   5.189  -4.212
  183    H    ILE  26           HN       ILE  26  11.747   2.642  -2.612
  184    HA   ILE  26           HA       ILE  26  14.367   1.700  -1.726
  185    HB   ILE  26           HB       ILE  26  11.774   0.725  -0.589
  186   HG12  ILE  26          HG12      ILE  26  13.119   3.250   0.378
  187   HG13  ILE  26          HG11      ILE  26  11.774   3.281  -0.760
  188   HG21  ILE  26          HG21      ILE  26  13.776  -0.340   0.182
  189   HG22  ILE  26          HG22      ILE  26  13.131   0.657   1.489
  190   HG23  ILE  26          HG23      ILE  26  14.514   1.219   0.546
  191   HD11  ILE  26          HD11      ILE  26  10.359   2.172   0.890
  192   HD12  ILE  26          HD12      ILE  26  11.036   3.671   1.531
  193   HD13  ILE  26          HD13      ILE  26  11.713   2.116   2.018
  194    H    ALA  27           HN       ALA  27  15.117   0.190  -3.096
  195    HA   ALA  27           HA       ALA  27  13.922  -1.557  -4.769
  196    HB1  ALA  27           HB1      ALA  27  16.281  -2.219  -3.008
  197    HB2  ALA  27           HB2      ALA  27  16.355  -1.279  -4.497
  198    HB3  ALA  27           HB3      ALA  27  15.883  -2.977  -4.549
  199    H    LEU  28           HN       LEU  28  13.057  -3.595  -4.750
  200    HA   LEU  28           HA       LEU  28  11.307  -4.266  -2.704
  201    HB2  LEU  28           HB2      LEU  28  11.053  -5.018  -4.999
  202    HB3  LEU  28           HB1      LEU  28  12.514  -5.973  -4.889
  203    HG   LEU  28           HG       LEU  28  11.306  -7.330  -3.091
  204   HD11  LEU  28          HD11      LEU  28   8.846  -7.323  -3.259
  205   HD12  LEU  28          HD12      LEU  28   8.938  -5.887  -4.279
  206   HD13  LEU  28          HD13      LEU  28   9.483  -5.813  -2.605
  207   HD21  LEU  28          HD21      LEU  28  11.746  -8.148  -5.328
  208   HD22  LEU  28          HD22      LEU  28  10.293  -7.347  -5.925
  209   HD23  LEU  28          HD23      LEU  28  10.160  -8.680  -4.773
  210    H    GLU  29           HN       GLU  29  14.649  -5.232  -3.202
  211    HA   GLU  29           HA       GLU  29  14.569  -7.392  -1.287
  212    HB2  GLU  29           HB2      GLU  29  17.046  -6.013  -2.302
  213    HB3  GLU  29           HB1      GLU  29  16.876  -7.662  -1.724
  214    HG2  GLU  29           HG2      GLU  29  15.687  -8.306  -3.712
  215    HG3  GLU  29           HG1      GLU  29  15.619  -6.630  -4.261
  216    H    GLU  30           HN       GLU  30  14.657  -4.068  -1.008
  217    HA   GLU  30           HA       GLU  30  16.062  -4.162   1.586
  218    HB2  GLU  30           HB2      GLU  30  15.409  -1.695  -0.029
  219    HB3  GLU  30           HB1      GLU  30  16.446  -1.813   1.388
  220    HG2  GLU  30           HG2      GLU  30  17.079  -3.028  -1.295
  221    HG3  GLU  30           HG1      GLU  30  17.660  -1.475  -0.714
  222    H    LEU  31           HN       LEU  31  13.107  -4.186   0.178
  223    HA   LEU  31           HA       LEU  31  11.752  -2.289   1.840
  224    HB2  LEU  31           HB2      LEU  31  11.004  -2.897  -0.451
  225    HB3  LEU  31           HB1      LEU  31  10.613  -4.508   0.129
  226    HG   LEU  31           HG       LEU  31   8.960  -3.516   1.677
  227   HD11  LEU  31          HD11      LEU  31  10.014  -1.318   1.892
  228   HD12  LEU  31          HD12      LEU  31   8.314  -1.204   1.439
  229   HD13  LEU  31          HD13      LEU  31   9.570  -0.956   0.223
  230   HD21  LEU  31          HD21      LEU  31   8.267  -4.345  -0.506
  231   HD22  LEU  31          HD22      LEU  31   8.600  -2.765  -1.217
  232   HD23  LEU  31          HD23      LEU  31   7.311  -2.942  -0.026
  233    H    THR  32           HN       THR  32  11.974  -2.769   3.914
  234    HA   THR  32           HA       THR  32  10.796  -5.293   4.856
  235    HB   THR  32           HB       THR  32  12.288  -5.294   6.745
  236    HG1  THR  32           HG1      THR  32  13.181  -3.519   7.456
  237   HG21  THR  32          HG21      THR  32  13.304  -6.219   4.735
  238   HG22  THR  32          HG22      THR  32  14.523  -5.389   5.696
  239   HG23  THR  32          HG23      THR  32  13.872  -4.618   4.246
  240    H    ASP  33           HN       ASP  33   9.772  -5.025   7.063
  241    HA   ASP  33           HA       ASP  33   7.971  -2.822   6.942
  242    HB2  ASP  33           HB2      ASP  33   7.070  -3.677   9.103
  243    HB3  ASP  33           HB1      ASP  33   7.129  -4.882   7.826
  244    H    ASP  34           HN       ASP  34  11.072  -2.904   8.013
  245    HA   ASP  34           HA       ASP  34  10.957  -1.171  10.266
  246    HB2  ASP  34           HB2      ASP  34  13.196  -1.545   8.262
  247    HB3  ASP  34           HB1      ASP  34  13.344  -0.822   9.861
  248    H    SER  35           HN       SER  35  10.631  -0.716   6.866
  249    HA   SER  35           HA       SER  35  11.634   1.981   6.795
  250    HB2  SER  35           HB2      SER  35   9.986   0.492   4.739
  251    HB3  SER  35           HB1      SER  35  10.906   1.974   4.463
  252    HG   SER  35           HG       SER  35  12.364  -0.092   5.559
  253    H    ASN  36           HN       ASN  36  10.488   3.854   6.374
  254    HA   ASN  36           HA       ASN  36   7.689   3.804   7.317
  255    HB2  ASN  36           HB2      ASN  36   9.438   4.554   9.030
  256    HB3  ASN  36           HB1      ASN  36   9.744   5.924   7.978
  257   HD21  ASN  36          HD21      ASN  36   7.464   4.512  10.232
  258   HD22  ASN  36          HD22      ASN  36   6.462   5.904  10.344
  259    H    PHE  37           HN       PHE  37   6.362   4.735   5.867
  260    HA   PHE  37           HA       PHE  37   7.242   5.660   3.390
  261    HB2  PHE  37           HB2      PHE  37   4.635   5.833   4.855
  262    HB3  PHE  37           HB1      PHE  37   4.845   6.736   3.355
  263    HD1  PHE  37           HD1      PHE  37   6.083   5.183   1.452
  264    HD2  PHE  37           HD2      PHE  37   3.621   3.827   4.645
  265    HE1  PHE  37           HE1      PHE  37   5.544   3.142   0.172
  266    HE2  PHE  37           HE2      PHE  37   3.081   1.800   3.389
  267    HZ   PHE  37           HZ       PHE  37   4.187   1.462   1.067
  268    H    ALA  38           HN       ALA  38   6.228   7.505   6.255
  269    HA   ALA  38           HA       ALA  38   6.563  10.041   4.973
  270    HB1  ALA  38           HB1      ALA  38   4.996   9.790   6.784
  271    HB2  ALA  38           HB2      ALA  38   6.235  10.970   7.214
  272    HB3  ALA  38           HB3      ALA  38   6.299   9.342   7.886
  273    H    ASP  39           HN       ASP  39   8.637   7.942   6.870
  274    HA   ASP  39           HA       ASP  39  10.645   9.910   7.365
  275    HB2  ASP  39           HB2      ASP  39  10.572   7.899   8.747
  276    HB3  ASP  39           HB1      ASP  39  10.838   6.889   7.325
  277    H    MET  40           HN       MET  40   9.954   7.679   4.805
  278    HA   MET  40           HA       MET  40  12.531   7.925   3.562
  279    HB2  MET  40           HB2      MET  40  10.756   5.998   3.425
  280    HB3  MET  40           HB1      MET  40  10.072   6.964   2.130
  281    HG2  MET  40           HG2      MET  40  12.921   5.997   2.177
  282    HG3  MET  40           HG1      MET  40  11.595   5.137   1.410
  283    HE1  MET  40           HE1      MET  40  14.387   6.140   0.072
  284    HE2  MET  40           HE2      MET  40  13.814   6.650  -1.514
  285    HE3  MET  40           HE3      MET  40  13.211   5.154  -0.797
  286    H    GLY  41           HN       GLY  41   9.523   9.616   3.461
  287    HA2  GLY  41           HA2      GLY  41   9.575  11.930   2.707
  288    HA3  GLY  41           HA1      GLY  41  10.699  11.441   1.448
  289    H    ILE  42           HN       ILE  42   7.912   9.491   2.186
  290    HA   ILE  42           HA       ILE  42   6.864   9.787  -0.454
  291    HB   ILE  42           HB       ILE  42   5.732   8.435   2.008
  292   HG12  ILE  42          HG12      ILE  42   7.795   7.494   1.027
  293   HG13  ILE  42          HG11      ILE  42   6.425   6.393   0.921
  294   HG21  ILE  42          HG21      ILE  42   4.670   8.452  -0.810
  295   HG22  ILE  42          HG22      ILE  42   3.868   9.068   0.638
  296   HG23  ILE  42          HG23      ILE  42   4.150   7.337   0.452
  297   HD11  ILE  42          HD11      ILE  42   7.696   6.316  -1.119
  298   HD12  ILE  42          HD12      ILE  42   7.568   8.065  -1.305
  299   HD13  ILE  42          HD13      ILE  42   6.127   7.058  -1.435
  300    H    ASP  43           HN       ASP  43   5.978  11.678  -1.020
  301    HA   ASP  43           HA       ASP  43   4.441  13.286   0.840
  302    HB2  ASP  43           HB2      ASP  43   4.930  13.562  -2.136
  303    HB3  ASP  43           HB1      ASP  43   3.973  14.696  -1.198
  304    H    SER  44           HN       SER  44   2.245  14.053   0.105
  305    HA   SER  44           HA       SER  44   0.399  11.997  -0.003
  306    HB2  SER  44           HB2      SER  44  -1.141  13.890  -0.877
  307    HB3  SER  44           HB1      SER  44  -0.382  14.108   0.707
  308    H    LEU  45           HN       LEU  45   1.949  13.807  -2.565
  309    HA   LEU  45           HA       LEU  45   0.496  13.058  -4.791
  310    HB2  LEU  45           HB2      LEU  45   2.501  14.657  -4.565
  311    HB3  LEU  45           HB1      LEU  45   3.514  13.236  -4.738
  312    HG   LEU  45           HG       LEU  45   3.206  14.613  -6.806
  313   HD11  LEU  45          HD11      LEU  45   3.980  12.317  -6.932
  314   HD12  LEU  45          HD12      LEU  45   2.930  12.694  -8.297
  315   HD13  LEU  45          HD13      LEU  45   2.315  11.737  -6.949
  316   HD21  LEU  45          HD21      LEU  45   0.413  13.487  -6.674
  317   HD22  LEU  45          HD22      LEU  45   1.118  14.324  -8.057
  318   HD23  LEU  45          HD23      LEU  45   0.871  15.186  -6.540
  319    H    SER  46           HN       SER  46   3.412  11.387  -3.527
  320    HA   SER  46           HA       SER  46   3.190   9.262  -5.382
  321    HB2  SER  46           HB2      SER  46   5.330   9.869  -4.307
  322    HB3  SER  46           HB1      SER  46   4.697   9.309  -2.759
  323    HG   SER  46           HG       SER  46   4.831   7.648  -5.055
  324    H    SER  47           HN       SER  47   2.194   9.595  -1.995
  325    HA   SER  47           HA       SER  47   1.463   6.916  -1.591
  326    HB2  SER  47           HB2      SER  47   0.131   7.742   0.297
  327    HB3  SER  47           HB1      SER  47   1.715   8.515   0.244
  328    HG   SER  47           HG       SER  47   0.184  10.060  -1.174
  329    H    MET  48           HN       MET  48  -0.216   9.544  -3.135
  330    HA   MET  48           HA       MET  48  -2.761   8.219  -3.304
  331    HB2  MET  48           HB2      MET  48  -2.548  10.676  -3.415
  332    HB3  MET  48           HB1      MET  48  -1.649  10.523  -4.916
  333    HG2  MET  48           HG2      MET  48  -3.964  11.124  -5.362
  334    HG3  MET  48           HG1      MET  48  -3.584   9.521  -5.990
  335    HE1  MET  48           HE1      MET  48  -6.106  10.321  -2.208
  336    HE2  MET  48           HE2      MET  48  -5.451  11.580  -3.250
  337    HE3  MET  48           HE3      MET  48  -4.363  10.604  -2.264
  338    H    VAL  49           HN       VAL  49  -0.029   8.781  -5.433
  339    HA   VAL  49           HA       VAL  49  -1.081   7.622  -7.758
  340    HB   VAL  49           HB       VAL  49   1.775   8.012  -6.825
  341   HG11  VAL  49          HG11      VAL  49   1.514   6.086  -8.450
  342   HG12  VAL  49          HG12      VAL  49   2.585   7.386  -8.962
  343   HG13  VAL  49          HG13      VAL  49   0.958   7.270  -9.632
  344   HG21  VAL  49          HG21      VAL  49   1.797   9.811  -8.488
  345   HG22  VAL  49          HG22      VAL  49   0.490  10.060  -7.332
  346   HG23  VAL  49          HG23      VAL  49   0.136   9.434  -8.941
  347    H    ILE  50           HN       ILE  50   0.968   6.174  -5.198
  348    HA   ILE  50           HA       ILE  50   1.127   3.577  -6.102
  349    HB   ILE  50           HB       ILE  50   0.601   4.390  -3.239
  350   HG12  ILE  50          HG12      ILE  50   3.225   4.078  -4.710
  351   HG13  ILE  50          HG11      ILE  50   2.512   5.602  -4.194
  352   HG21  ILE  50          HG21      ILE  50   1.797   2.319  -2.678
  353   HG22  ILE  50          HG22      ILE  50   1.892   1.922  -4.394
  354   HG23  ILE  50          HG23      ILE  50   0.322   2.005  -3.592
  355   HD11  ILE  50          HD11      ILE  50   2.753   4.970  -1.880
  356   HD12  ILE  50          HD12      ILE  50   4.305   4.842  -2.707
  357   HD13  ILE  50          HD13      ILE  50   3.373   3.386  -2.350
  358    H    GLY  51           HN       GLY  51  -1.446   4.987  -4.094
  359    HA2  GLY  51           HA2      GLY  51  -3.098   2.743  -3.921
  360    HA3  GLY  51           HA1      GLY  51  -3.639   4.407  -3.778
  361    H    SER  52           HN       SER  52  -2.957   5.259  -6.408
  362    HA   SER  52           HA       SER  52  -5.220   4.338  -7.842
  363    HB2  SER  52           HB2      SER  52  -2.949   5.592  -9.364
  364    HB3  SER  52           HB1      SER  52  -4.668   5.894  -9.534
  365    HG   SER  52           HG       SER  52  -4.048   6.658  -7.099
  366    H    ARG  53           HN       ARG  53  -1.747   3.628  -8.173
  367    HA   ARG  53           HA       ARG  53  -1.933   1.986 -10.445
  368    HB2  ARG  53           HB2      ARG  53   0.093   1.778  -8.215
  369    HB3  ARG  53           HB1      ARG  53   0.252   1.120  -9.841
  370    HG2  ARG  53           HG2      ARG  53  -0.008   3.490 -10.673
  371    HG3  ARG  53           HG1      ARG  53   0.211   3.994  -8.997
  372    HD2  ARG  53           HD2      ARG  53   2.430   3.966  -9.438
  373    HD3  ARG  53           HD1      ARG  53   2.288   2.204  -9.440
  374    HE   ARG  53           HE       ARG  53   1.620   2.738 -11.951
  375   HH11  ARG  53          HH11      ARG  53   4.248   4.115 -10.074
  376   HH12  ARG  53          HH12      ARG  53   5.327   4.198 -11.437
  377   HH21  ARG  53          HH21      ARG  53   3.027   2.860 -13.721
  378   HH22  ARG  53          HH22      ARG  53   4.624   3.504 -13.516
  379    H    PHE  54           HN       PHE  54  -2.563   1.334  -7.079
  380    HA   PHE  54           HA       PHE  54  -2.650  -1.471  -7.106
  381    HB2  PHE  54           HB2      PHE  54  -4.271   0.604  -5.616
  382    HB3  PHE  54           HB1      PHE  54  -4.533  -1.118  -5.389
  383    HD1  PHE  54           HD1      PHE  54  -1.266  -1.158  -5.980
  384    HD2  PHE  54           HD2      PHE  54  -3.934   0.368  -3.043
  385    HE1  PHE  54           HE1      PHE  54   0.555  -1.174  -4.332
  386    HE2  PHE  54           HE2      PHE  54  -2.117   0.338  -1.379
  387    HZ   PHE  54           HZ       PHE  54   0.008  -0.468  -1.897
  388    H    ARG  55           HN       ARG  55  -4.988   0.946  -8.146
  389    HA   ARG  55           HA       ARG  55  -6.999  -1.057  -8.712
  390    HB2  ARG  55           HB2      ARG  55  -7.079   1.880  -9.410
  391    HB3  ARG  55           HB1      ARG  55  -8.435   0.768  -9.304
  392    HG2  ARG  55           HG2      ARG  55  -7.861   0.499  -6.859
  393    HG3  ARG  55           HG1      ARG  55  -6.781   1.879  -7.055
  394    HD2  ARG  55           HD2      ARG  55  -8.912   2.663  -6.242
  395    HD3  ARG  55           HD1      ARG  55  -8.716   3.189  -7.917
  396    HE   ARG  55           HE       ARG  55 -10.094   0.687  -7.680
  397   HH11  ARG  55          HH11      ARG  55 -10.502   4.163  -7.621
  398   HH12  ARG  55          HH12      ARG  55 -12.192   4.100  -8.029
  399   HH21  ARG  55          HH21      ARG  55 -12.297   0.580  -8.239
  400   HH22  ARG  55          HH22      ARG  55 -13.205   2.060  -8.393
  401    H    GLU  56           HN       GLU  56  -4.616   0.804 -10.445
  402    HA   GLU  56           HA       GLU  56  -5.824   0.327 -13.024
  403    HB2  GLU  56           HB2      GLU  56  -3.105   1.482 -12.372
  404    HB3  GLU  56           HB1      GLU  56  -3.938   1.587 -13.915
  405    HG2  GLU  56           HG2      GLU  56  -4.796   2.862 -11.331
  406    HG3  GLU  56           HG1      GLU  56  -4.083   3.679 -12.721
  407    H    ASP  57           HN       ASP  57  -2.922  -0.742 -11.294
  408    HA   ASP  57           HA       ASP  57  -2.225  -2.505 -13.509
  409    HB2  ASP  57           HB2      ASP  57  -0.835  -1.621 -11.007
  410    HB3  ASP  57           HB1      ASP  57  -0.277  -3.060 -11.851
  411    H    LEU  58           HN       LEU  58  -3.221  -2.787 -10.127
  412    HA   LEU  58           HA       LEU  58  -3.070  -5.700 -10.339
  413    HB2  LEU  58           HB2      LEU  58  -3.239  -3.796  -8.033
  414    HB3  LEU  58           HB1      LEU  58  -3.718  -5.468  -7.815
  415    HG   LEU  58           HG       LEU  58  -1.471  -6.211  -8.470
  416   HD11  LEU  58          HD11      LEU  58  -0.748  -3.288  -8.556
  417   HD12  LEU  58          HD12      LEU  58  -0.934  -4.323  -9.970
  418   HD13  LEU  58          HD13      LEU  58   0.339  -4.658  -8.796
  419   HD21  LEU  58          HD21      LEU  58  -1.513  -4.136  -6.286
  420   HD22  LEU  58          HD22      LEU  58  -0.275  -5.375  -6.494
  421   HD23  LEU  58          HD23      LEU  58  -1.936  -5.843  -6.126
  422    H    GLY  59           HN       GLY  59  -5.406  -3.126  -9.939
  423    HA2  GLY  59           HA2      GLY  59  -7.675  -3.276 -10.530
  424    HA3  GLY  59           HA1      GLY  59  -7.536  -5.028 -10.524
  425    H    LEU  60           HN       LEU  60  -6.479  -2.953  -7.900
  426    HA   LEU  60           HA       LEU  60  -8.251  -4.343  -6.070
  427    HB2  LEU  60           HB2      LEU  60  -6.216  -2.170  -5.563
  428    HB3  LEU  60           HB1      LEU  60  -7.061  -3.079  -4.326
  429    HG   LEU  60           HG       LEU  60  -5.128  -4.243  -6.330
  430   HD11  LEU  60          HD11      LEU  60  -4.806  -3.638  -3.387
  431   HD12  LEU  60          HD12      LEU  60  -3.984  -2.824  -4.718
  432   HD13  LEU  60          HD13      LEU  60  -3.646  -4.521  -4.378
  433   HD21  LEU  60          HD21      LEU  60  -6.458  -5.498  -3.931
  434   HD22  LEU  60          HD22      LEU  60  -5.321  -6.278  -5.028
  435   HD23  LEU  60          HD23      LEU  60  -6.910  -5.791  -5.609
  436    H    ASP  61           HN       ASP  61 -10.288  -3.583  -5.711
  437    HA   ASP  61           HA       ASP  61 -10.838  -0.776  -6.306
  438    HB2  ASP  61           HB2      ASP  61 -12.617  -3.184  -5.979
  439    HB3  ASP  61           HB1      ASP  61 -13.266  -1.542  -5.962
  440    H    LEU  62           HN       LEU  62  -9.416  -0.641  -4.276
  441    HA   LEU  62           HA       LEU  62 -10.685  -1.229  -1.786
  442    HB2  LEU  62           HB2      LEU  62  -8.678  -0.109  -0.877
  443    HB3  LEU  62           HB1      LEU  62  -8.336  -1.444  -1.933
  444    HG   LEU  62           HG       LEU  62  -8.172   0.557  -3.709
  445   HD11  LEU  62          HD11      LEU  62  -7.256   1.779  -1.112
  446   HD12  LEU  62          HD12      LEU  62  -8.652   2.296  -2.057
  447   HD13  LEU  62          HD13      LEU  62  -7.025   2.464  -2.722
  448   HD21  LEU  62          HD21      LEU  62  -6.493  -1.159  -3.289
  449   HD22  LEU  62          HD22      LEU  62  -5.976  -0.304  -1.836
  450   HD23  LEU  62          HD23      LEU  62  -5.753   0.438  -3.421
  451    H    GLY  63           HN       GLY  63 -10.336   1.600  -3.819
  452    HA2  GLY  63           HA2      GLY  63 -12.433   3.031  -3.528
  453    HA3  GLY  63           HA1      GLY  63 -11.902   3.136  -1.861
  454    HA   PRO  64           HA       PRO  64  -9.732   6.500  -4.234
  455    HB2  PRO  64           HB2      PRO  64 -11.436   8.553  -4.137
  456    HB3  PRO  64           HB1      PRO  64 -11.611   7.280  -5.362
  457    HG2  PRO  64           HG2      PRO  64 -13.134   7.696  -2.830
  458    HG3  PRO  64           HG1      PRO  64 -13.720   7.151  -4.410
  459    HD2  PRO  64           HD2      PRO  64 -13.096   5.508  -2.228
  460    HD3  PRO  64           HD1      PRO  64 -13.282   4.976  -3.907
  461    H    GLU  65           HN       GLU  65 -11.260   6.125  -1.206
  462    HA   GLU  65           HA       GLU  65 -10.438   8.619  -0.053
  463    HB2  GLU  65           HB2      GLU  65 -11.749   6.152   1.054
  464    HB3  GLU  65           HB1      GLU  65 -11.394   7.583   2.016
  465    HG2  GLU  65           HG2      GLU  65 -13.030   7.657  -0.484
  466    HG3  GLU  65           HG1      GLU  65 -13.737   7.406   1.114
  467    H    PHE  66           HN       PHE  66  -8.997   5.582  -0.506
  468    HA   PHE  66           HA       PHE  66  -7.522   5.543   1.971
  469    HB2  PHE  66           HB2      PHE  66  -8.295   3.441   1.044
  470    HB3  PHE  66           HB1      PHE  66  -7.447   3.747  -0.463
  471    HD1  PHE  66           HD2      PHE  66  -6.959   3.011   3.132
  472    HD2  PHE  66           HD1      PHE  66  -5.224   3.140  -0.748
  473    HE1  PHE  66           HE2      PHE  66  -5.005   1.796   3.973
  474    HE2  PHE  66           HE1      PHE  66  -3.266   1.913   0.084
  475    HZ   PHE  66           HZ       PHE  66  -3.148   1.238   2.453
  476    H    SER  67           HN       SER  67  -5.835   6.814   2.257
  477    HA   SER  67           HA       SER  67  -3.880   7.045   0.071
  478    HB2  SER  67           HB2      SER  67  -4.628   9.236   2.029
  479    HB3  SER  67           HB1      SER  67  -3.427   9.356   0.742
  480    HG   SER  67           HG       SER  67  -5.774   8.506  -0.258
  481    H    LEU  68           HN       LEU  68  -1.914   6.350   0.623
  482    HA   LEU  68           HA       LEU  68  -1.391   5.126   3.076
  483    HB2  LEU  68           HB2      LEU  68   0.588   6.146   1.039
  484    HB3  LEU  68           HB1      LEU  68   0.963   5.037   2.341
  485    HG   LEU  68           HG       LEU  68  -0.834   4.492  -0.026
  486   HD11  LEU  68          HD11      LEU  68   1.880   3.511   0.816
  487   HD12  LEU  68          HD12      LEU  68   1.432   4.334  -0.684
  488   HD13  LEU  68          HD13      LEU  68   0.885   2.679  -0.381
  489   HD21  LEU  68          HD21      LEU  68  -0.161   2.745   2.333
  490   HD22  LEU  68          HD22      LEU  68  -1.038   2.234   0.891
  491   HD23  LEU  68          HD23      LEU  68  -1.738   3.444   1.969
  492    H    PHE  69           HN       PHE  69  -0.591   8.359   1.941
  493    HA   PHE  69           HA       PHE  69   1.266   9.081   3.911
  494    HB2  PHE  69           HB2      PHE  69   0.884  10.258   1.763
  495    HB3  PHE  69           HB1      PHE  69  -0.654  10.858   2.369
  496    HD1  PHE  69           HD1      PHE  69   2.672  10.652   4.043
  497    HD2  PHE  69           HD2      PHE  69  -0.421  13.118   2.490
  498    HE1  PHE  69           HE1      PHE  69   3.822  12.637   4.937
  499    HE2  PHE  69           HE2      PHE  69   0.713  15.115   3.389
  500    HZ   PHE  69           HZ       PHE  69   2.840  14.873   4.614
  501    H    ILE  70           HN       ILE  70  -2.004   8.383   4.333
  502    HA   ILE  70           HA       ILE  70  -2.077  10.057   6.763
  503    HB   ILE  70           HB       ILE  70  -4.457   9.308   5.024
  504   HG12  ILE  70          HG12      ILE  70  -3.209  11.981   5.705
  505   HG13  ILE  70          HG11      ILE  70  -3.123  11.180   4.144
  506   HG21  ILE  70          HG21      ILE  70  -5.031   9.199   7.405
  507   HG22  ILE  70          HG22      ILE  70  -5.828  10.548   6.597
  508   HG23  ILE  70          HG23      ILE  70  -4.428  10.842   7.626
  509   HD11  ILE  70          HD11      ILE  70  -4.769  12.957   4.118
  510   HD12  ILE  70          HD12      ILE  70  -5.632  12.199   5.460
  511   HD13  ILE  70          HD13      ILE  70  -5.536  11.386   3.897
  512    H    ASP  71           HN       ASP  71  -2.908   6.918   5.336
  513    HA   ASP  71           HA       ASP  71  -3.700   6.008   8.026
  514    HB2  ASP  71           HB2      ASP  71  -5.527   5.905   6.410
  515    HB3  ASP  71           HB1      ASP  71  -4.568   4.899   5.333
  516    H    CYS  72           HN       CYS  72  -1.047   5.841   6.094
  517    HA   CYS  72           HA       CYS  72  -0.296   3.250   7.197
  518    HB2  CYS  72           HB2      CYS  72  -0.096   3.874   4.244
  519    HB3  CYS  72           HB1      CYS  72   0.580   2.453   5.031
  520    HG   CYS  72           HG       CYS  72  -2.542   2.483   5.864
  521    H    THR  73           HN       THR  73   1.260   4.035   8.450
  522    HA   THR  73           HA       THR  73   3.033   6.117   7.448
  523    HB   THR  73           HB       THR  73   3.904   6.041   9.831
  524    HG1  THR  73           HG1      THR  73   2.527   4.879  11.313
  525   HG21  THR  73          HG21      THR  73   1.818   7.069  10.773
  526   HG22  THR  73          HG22      THR  73   0.971   6.565   9.309
  527   HG23  THR  73          HG23      THR  73   2.298   7.721   9.206
  528    H    THR  74           HN       THR  74   3.085   2.720   8.278
  529    HA   THR  74           HA       THR  74   5.913   2.625   7.470
  530    HB   THR  74           HB       THR  74   6.080   0.485   8.679
  531    HG1  THR  74           HG1      THR  74   3.897   0.706  10.233
  532   HG21  THR  74          HG21      THR  74   6.689   2.565   9.832
  533   HG22  THR  74          HG22      THR  74   6.005   1.387  10.954
  534   HG23  THR  74          HG23      THR  74   5.024   2.739  10.388
  535    H    VAL  75           HN       VAL  75   6.273   0.070   6.768
  536    HA   VAL  75           HA       VAL  75   4.858  -0.024   4.262
  537    HB   VAL  75           HB       VAL  75   6.687  -2.232   5.068
  538   HG11  VAL  75          HG11      VAL  75   7.413  -2.031   2.750
  539   HG12  VAL  75          HG12      VAL  75   6.351  -0.638   2.539
  540   HG13  VAL  75          HG13      VAL  75   5.663  -2.230   2.869
  541   HG21  VAL  75          HG21      VAL  75   7.857  -0.318   5.947
  542   HG22  VAL  75          HG22      VAL  75   7.641   0.552   4.427
  543   HG23  VAL  75          HG23      VAL  75   8.658  -0.890   4.486
  544    H    ARG  76           HN       ARG  76   5.165  -2.047   7.149
  545    HA   ARG  76           HA       ARG  76   3.542  -4.152   6.228
  546    HB2  ARG  76           HB2      ARG  76   5.058  -4.411   8.120
  547    HB3  ARG  76           HB1      ARG  76   4.084  -3.284   9.062
  548    HG2  ARG  76           HG2      ARG  76   2.182  -4.817   8.914
  549    HG3  ARG  76           HG1      ARG  76   3.165  -5.949   7.985
  550    HD2  ARG  76           HD2      ARG  76   3.706  -5.028  10.795
  551    HD3  ARG  76           HD1      ARG  76   2.995  -6.577  10.342
  552    HE   ARG  76           HE       ARG  76   5.560  -6.080   9.127
  553   HH11  ARG  76          HH11      ARG  76   3.900  -7.329  11.946
  554   HH12  ARG  76          HH12      ARG  76   5.224  -8.332  12.454
  555   HH21  ARG  76          HH21      ARG  76   7.349  -7.371   9.814
  556   HH22  ARG  76          HH22      ARG  76   7.179  -8.340  11.247
  557    H    ALA  77           HN       ALA  77   2.815  -1.088   7.723
  558    HA   ALA  77           HA       ALA  77   0.174  -1.432   8.482
  559    HB1  ALA  77           HB1      ALA  77   1.495   0.623   8.864
  560    HB2  ALA  77           HB2      ALA  77  -0.095   0.958   8.181
  561    HB3  ALA  77           HB3      ALA  77   1.337   1.016   7.151
  562    H    LEU  78           HN       LEU  78   1.557  -1.111   5.285
  563    HA   LEU  78           HA       LEU  78  -0.950  -0.836   3.906
  564    HB2  LEU  78           HB2      LEU  78   1.665  -0.443   3.232
  565    HB3  LEU  78           HB1      LEU  78   1.356  -1.988   2.473
  566    HG   LEU  78           HG       LEU  78  -0.371   0.421   1.994
  567   HD11  LEU  78          HD11      LEU  78   2.095  -0.496   0.530
  568   HD12  LEU  78          HD12      LEU  78   1.866   1.031   1.376
  569   HD13  LEU  78          HD13      LEU  78   0.951   0.693  -0.093
  570   HD21  LEU  78          HD21      LEU  78   0.056  -2.128   0.445
  571   HD22  LEU  78          HD22      LEU  78  -0.918  -0.756  -0.085
  572   HD23  LEU  78          HD23      LEU  78  -1.391  -1.670   1.349
  573    H    LYS  79           HN       LYS  79   1.391  -3.414   4.440
  574    HA   LYS  79           HA       LYS  79   0.285  -5.580   3.180
  575    HB2  LYS  79           HB2      LYS  79   1.400  -5.746   5.984
  576    HB3  LYS  79           HB1      LYS  79   1.414  -6.992   4.733
  577    HG2  LYS  79           HG2      LYS  79   2.869  -4.374   4.353
  578    HG3  LYS  79           HG1      LYS  79   3.634  -5.693   5.246
  579    HD2  LYS  79           HD2      LYS  79   3.149  -7.137   3.218
  580    HD3  LYS  79           HD1      LYS  79   2.711  -5.649   2.375
  581    HE2  LYS  79           HE2      LYS  79   4.962  -6.033   1.827
  582    HE3  LYS  79           HE1      LYS  79   4.979  -4.760   3.051
  583    HZ1  LYS  79           HZ1      LYS  79   5.518  -7.655   3.539
  584    HZ2  LYS  79           HZ2      LYS  79   5.523  -6.447   4.724
  585    HZ3  LYS  79           HZ3      LYS  79   6.678  -6.425   3.488
  586    H    ASP  80           HN       ASP  80  -0.435  -4.447   6.453
  587    HA   ASP  80           HA       ASP  80  -2.307  -6.337   7.226
  588    HB2  ASP  80           HB2      ASP  80  -2.217  -3.402   7.946
  589    HB3  ASP  80           HB1      ASP  80  -3.205  -4.597   8.771
  590    H    PHE  81           HN       PHE  81  -2.935  -3.209   5.727
  591    HA   PHE  81           HA       PHE  81  -5.717  -3.286   5.826
  592    HB2  PHE  81           HB2      PHE  81  -4.469  -1.235   5.364
  593    HB3  PHE  81           HB1      PHE  81  -3.948  -1.881   3.807
  594    HD1  PHE  81           HD1      PHE  81  -6.892  -0.731   5.737
  595    HD2  PHE  81           HD2      PHE  81  -5.329  -1.723   1.900
  596    HE1  PHE  81           HE1      PHE  81  -8.904   0.206   4.672
  597    HE2  PHE  81           HE2      PHE  81  -7.338  -0.787   0.836
  598    HZ   PHE  81           HZ       PHE  81  -9.130   0.176   2.222
  599    H    MET  82           HN       MET  82  -3.537  -4.603   3.410
  600    HA   MET  82           HA       MET  82  -5.376  -4.868   1.311
  601    HB2  MET  82           HB2      MET  82  -3.136  -6.806   1.762
  602    HB3  MET  82           HB1      MET  82  -3.803  -6.242   0.236
  603    HG2  MET  82           HG2      MET  82  -2.929  -3.951   0.826
  604    HG3  MET  82           HG1      MET  82  -2.068  -4.723   2.161
  605    HE1  MET  82           HE1      MET  82  -1.189  -5.058  -2.312
  606    HE2  MET  82           HE2      MET  82  -1.911  -3.670  -1.495
  607    HE3  MET  82           HE3      MET  82  -2.814  -5.183  -1.632
  608    H    LEU  83           HN       LEU  83  -4.414  -7.210   3.803
  609    HA   LEU  83           HA       LEU  83  -6.333  -9.123   2.817
  610    HB2  LEU  83           HB2      LEU  83  -4.518  -9.178   5.239
  611    HB3  LEU  83           HB1      LEU  83  -5.573 -10.496   4.784
  612    HG   LEU  83           HG       LEU  83  -4.282 -10.562   2.570
  613   HD11  LEU  83          HD11      LEU  83  -3.224  -8.390   2.703
  614   HD12  LEU  83          HD12      LEU  83  -2.012  -9.670   2.624
  615   HD13  LEU  83          HD13      LEU  83  -2.363  -8.883   4.161
  616   HD21  LEU  83          HD21      LEU  83  -2.791 -11.229   5.110
  617   HD22  LEU  83          HD22      LEU  83  -2.449 -11.881   3.510
  618   HD23  LEU  83          HD23      LEU  83  -3.973 -12.268   4.309
  619    H    GLY  84           HN       GLY  84  -6.154  -6.730   5.358
  620    HA2  GLY  84           HA2      GLY  84  -8.339  -5.758   5.936
  621    HA3  GLY  84           HA1      GLY  84  -8.974  -7.396   5.963
  622    H    SER  85           HN       SER  85  -9.711  -7.381   8.050
  623    HA   SER  85           HA       SER  85  -7.863  -6.645  10.189
  624    HB2  SER  85           HB2      SER  85 -10.796  -7.398  10.297
  625    HB3  SER  85           HB1      SER  85  -9.841  -6.753  11.630
  626    HG   SER  85           HG       SER  85  -9.566  -5.120   9.552
  627    H    GLY  86           HN       GLY  86  -7.273  -8.987   8.698
  628    HA2  GLY  86           HA2      GLY  86  -6.548 -11.142   9.193
  629    HA3  GLY  86           HA1      GLY  86  -7.282 -10.989  10.786
  630    H    ASP  87           HN       ASP  87  -9.141 -10.222   7.997
  631    HA   ASP  87           HA       ASP  87 -11.140 -12.138   8.629
  632    HB2  ASP  87           HB2      ASP  87 -10.801 -10.334   6.224
  633    HB3  ASP  87           HB1      ASP  87 -12.231 -11.313   6.531
  634    H    ALA  88           HN       ALA  88 -10.714 -14.211   8.352
  635    HA   ALA  88           HA       ALA  88 -10.204 -15.272   5.741
  636    HB1  ALA  88           HB1      ALA  88  -7.932 -14.575   6.357
  637    HB2  ALA  88           HB2      ALA  88  -8.064 -16.327   6.206
  638    HB3  ALA  88           HB3      ALA  88  -8.020 -15.581   7.803
  639    H    GLY  89           HN       GLY  89 -10.503 -15.737   9.212
  640    HA2  GLY  89           HA2      GLY  89 -11.665 -18.393   8.669
  641    HA3  GLY  89           HA1      GLY  89 -10.546 -18.152  10.003
  642   H282  PNS  90          H28A      PNS  44  -0.832  15.954  -3.891
  643   H281  PNS  90          H28B      PNS  44  -0.770  14.383  -3.091
  644   H303  PNS  90          H30A      PNS  44  -1.730  14.897  -5.916
  645   H302  PNS  90          H30B      PNS  44  -3.133  13.834  -5.819
  646   H301  PNS  90          H30C      PNS  44  -1.603  13.342  -5.094
  647   H313  PNS  90          H31A      PNS  44  -3.691  14.323  -2.181
  648   H312  PNS  90          H31B      PNS  44  -2.820  12.984  -2.927
  649   H311  PNS  90          H31C      PNS  44  -4.337  13.549  -3.628
  650    H32  PNS  90          H32A      PNS  44  -3.942  16.438  -3.318
  651    H33  PNS  90          H33A      PNS  44  -2.365  17.684  -4.098
  652    H36  PNS  90          H36A      PNS  44  -4.249  17.434  -6.247
  653   H372  PNS  90          H37A      PNS  44  -5.483  16.141  -8.102
  654   H371  PNS  90          H37B      PNS  44  -6.686  15.906  -6.833
  655   H382  PNS  90          H38A      PNS  44  -5.722  18.602  -7.765
  656   H381  PNS  90          H38B      PNS  44  -7.141  17.796  -8.419
  657    H41  PNS  90          H41A      PNS  44  -7.193  16.814  -5.387
  658   H422  PNS  90          H42A      PNS  44  -7.974  19.017  -3.811
  659   H421  PNS  90          H42B      PNS  44  -9.395  18.268  -4.536
  660   H431  PNS  90          H43A      PNS  44  -7.351  16.890  -2.800
  661   H432  PNS  90          H43B      PNS  44  -8.734  16.110  -3.566
  662    H44  PNS  90           H1       PNS  44 -10.640  17.583  -2.130
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1 -14.060 -18.624   3.260
    2    H2   ALA   1           HT2      ALA   1 -15.011 -17.246   3.016
    3    H3   ALA   1           HT3      ALA   1 -15.744 -18.772   3.130
    4    HA   ALA   1           HA       ALA   1 -16.054 -17.541   5.159
    5    HB1  ALA   1           HB1      ALA   1 -15.189 -19.199   6.712
    6    HB2  ALA   1           HB2      ALA   1 -14.081 -19.800   5.478
    7    HB3  ALA   1           HB3      ALA   1 -15.822 -19.979   5.263
    8    H    MET   2           HN       MET   2 -15.233 -16.352   6.851
    9    HA   MET   2           HA       MET   2 -13.879 -14.906   7.944
   10    HB2  MET   2           HB2      MET   2 -12.419 -16.801   8.343
   11    HB3  MET   2           HB1      MET   2 -11.653 -16.577   6.776
   12    HG2  MET   2           HG2      MET   2 -10.811 -14.389   7.520
   13    HG3  MET   2           HG1      MET   2 -11.546 -14.660   9.099
   14    HE1  MET   2           HE1      MET   2 -10.948 -17.824   9.506
   15    HE2  MET   2           HE2      MET   2 -10.831 -16.571  10.741
   16    HE3  MET   2           HE3      MET   2  -9.481 -17.675  10.475
   17    H    ALA   3           HN       ALA   3 -14.493 -13.067   6.754
   18    HA   ALA   3           HA       ALA   3 -12.365 -12.022   5.070
   19    HB1  ALA   3           HB1      ALA   3 -13.892 -13.026   3.466
   20    HB2  ALA   3           HB2      ALA   3 -13.939 -11.267   3.343
   21    HB3  ALA   3           HB3      ALA   3 -15.244 -12.128   4.160
   22    H    LYS   4           HN       LYS   4 -12.037  -9.923   5.392
   23    HA   LYS   4           HA       LYS   4 -14.123  -8.145   6.278
   24    HB2  LYS   4           HB2      LYS   4 -13.215  -9.204   8.369
   25    HB3  LYS   4           HB1      LYS   4 -11.656  -8.485   7.986
   26    HG2  LYS   4           HG2      LYS   4 -12.696  -7.076   9.567
   27    HG3  LYS   4           HG1      LYS   4 -12.794  -6.254   8.009
   28    HD2  LYS   4           HD2      LYS   4 -15.101  -6.993   7.744
   29    HD3  LYS   4           HD1      LYS   4 -15.004  -7.880   9.266
   30    HE2  LYS   4           HE2      LYS   4 -16.127  -5.860   9.752
   31    HE3  LYS   4           HE1      LYS   4 -14.493  -5.680  10.383
   32    HZ1  LYS   4           HZ1      LYS   4 -15.586  -4.512   7.881
   33    HZ2  LYS   4           HZ2      LYS   4 -13.947  -4.454   8.301
   34    HZ3  LYS   4           HZ3      LYS   4 -15.098  -3.677   9.274
   35    H    GLY   5           HN       GLY   5 -13.858  -6.524   4.883
   36    HA2  GLY   5           HA2      GLY   5 -12.692  -4.587   4.160
   37    HA3  GLY   5           HA1      GLY   5 -11.174  -5.376   4.569
   38    H    VAL   6           HN       VAL   6 -10.085  -6.444   3.020
   39    HA   VAL   6           HA       VAL   6 -11.437  -6.829   0.440
   40    HB   VAL   6           HB       VAL   6  -8.504  -6.269   0.823
   41   HG11  VAL   6          HG11      VAL   6 -10.190  -6.409  -1.671
   42   HG12  VAL   6          HG12      VAL   6  -9.012  -7.611  -1.147
   43   HG13  VAL   6          HG13      VAL   6  -8.477  -5.995  -1.609
   44   HG21  VAL   6          HG21      VAL   6  -9.785  -4.288   1.396
   45   HG22  VAL   6          HG22      VAL   6 -10.695  -4.420  -0.108
   46   HG23  VAL   6          HG23      VAL   6  -8.970  -4.056  -0.152
   47    H    GLY   7           HN       GLY   7  -8.316  -7.865   1.780
   48    HA2  GLY   7           HA2      GLY   7  -7.701 -10.055   2.416
   49    HA3  GLY   7           HA1      GLY   7  -9.196 -10.657   1.708
   50    H    VAL   8           HN       VAL   8  -5.872  -9.988   1.196
   51    HA   VAL   8           HA       VAL   8  -6.165 -10.688  -1.651
   52    HB   VAL   8           HB       VAL   8  -4.193  -9.476  -2.192
   53   HG11  VAL   8          HG11      VAL   8  -5.769  -7.857  -0.198
   54   HG12  VAL   8          HG12      VAL   8  -6.095  -8.020  -1.924
   55   HG13  VAL   8          HG13      VAL   8  -4.636  -7.192  -1.373
   56   HG21  VAL   8          HG21      VAL   8  -3.691  -9.193   0.769
   57   HG22  VAL   8          HG22      VAL   8  -2.750  -8.404  -0.498
   58   HG23  VAL   8          HG23      VAL   8  -2.761 -10.163  -0.375
   59    H    SER   9           HN       SER   9  -4.496 -12.054  -2.562
   60    HA   SER   9           HA       SER   9  -3.631 -14.113  -0.730
   61    HB2  SER   9           HB2      SER   9  -2.844 -15.180  -2.906
   62    HB3  SER   9           HB1      SER   9  -4.578 -14.878  -2.784
   63    HG   SER   9           HG       SER   9  -4.030 -14.084  -4.738
   64    H    ASN  10           HN       ASN  10  -1.315 -15.045  -1.518
   65    HA   ASN  10           HA       ASN  10   0.598 -13.137  -0.612
   66    HB2  ASN  10           HB2      ASN  10   0.849 -15.571  -0.212
   67    HB3  ASN  10           HB1      ASN  10   1.048 -15.828  -1.941
   68   HD21  ASN  10          HD21      ASN  10   2.397 -13.184  -0.053
   69   HD22  ASN  10          HD22      ASN  10   4.050 -13.624  -0.280
   70    H    GLU  11           HN       GLU  11  -0.509 -14.272  -3.688
   71    HA   GLU  11           HA       GLU  11   1.540 -13.231  -5.319
   72    HB2  GLU  11           HB2      GLU  11  -0.076 -14.855  -6.133
   73    HB3  GLU  11           HB1      GLU  11  -1.391 -13.708  -5.906
   74    HG2  GLU  11           HG2      GLU  11  -0.165 -12.231  -7.574
   75    HG3  GLU  11           HG1      GLU  11   0.843 -13.639  -7.905
   76    H    LYS  12           HN       LYS  12  -1.465 -11.864  -4.092
   77    HA   LYS  12           HA       LYS  12  -1.150  -9.364  -5.445
   78    HB2  LYS  12           HB2      LYS  12  -3.028 -10.473  -3.413
   79    HB3  LYS  12           HB1      LYS  12  -2.959  -8.727  -3.650
   80    HG2  LYS  12           HG2      LYS  12  -3.723  -8.849  -5.817
   81    HG3  LYS  12           HG1      LYS  12  -3.199 -10.518  -6.021
   82    HD2  LYS  12           HD2      LYS  12  -5.018 -11.336  -4.741
   83    HD3  LYS  12           HD1      LYS  12  -5.442  -9.710  -4.181
   84    HE2  LYS  12           HE2      LYS  12  -6.010  -9.057  -6.448
   85    HE3  LYS  12           HE1      LYS  12  -5.527 -10.641  -7.044
   86    HZ1  LYS  12           HZ1      LYS  12  -7.660 -10.343  -5.021
   87    HZ2  LYS  12           HZ2      LYS  12  -7.352 -11.664  -6.040
   88    HZ3  LYS  12           HZ3      LYS  12  -7.989 -10.225  -6.679
   89    H    LEU  13           HN       LEU  13  -0.161 -10.668  -2.385
   90    HA   LEU  13           HA       LEU  13   0.749  -8.152  -1.326
   91    HB2  LEU  13           HB2      LEU  13   0.246 -10.232   0.027
   92    HB3  LEU  13           HB1      LEU  13   1.745 -10.910  -0.581
   93    HG   LEU  13           HG       LEU  13   2.497  -8.430   0.417
   94   HD11  LEU  13          HD11      LEU  13   0.516  -9.728   2.273
   95   HD12  LEU  13          HD12      LEU  13   0.368  -8.140   1.518
   96   HD13  LEU  13          HD13      LEU  13   1.629  -8.436   2.717
   97   HD21  LEU  13          HD21      LEU  13   3.575  -9.759   2.181
   98   HD22  LEU  13          HD22      LEU  13   3.793 -10.454   0.570
   99   HD23  LEU  13          HD23      LEU  13   2.616 -11.155   1.686
  100    H    ASP  14           HN       ASP  14   1.983 -10.521  -3.526
  101    HA   ASP  14           HA       ASP  14   4.715  -9.662  -3.373
  102    HB2  ASP  14           HB2      ASP  14   3.452 -11.875  -4.377
  103    HB3  ASP  14           HB1      ASP  14   3.813 -11.002  -5.845
  104    H    ALA  15           HN       ALA  15   1.856  -8.750  -5.042
  105    HA   ALA  15           HA       ALA  15   3.198  -7.390  -7.213
  106    HB1  ALA  15           HB1      ALA  15   0.268  -7.374  -6.482
  107    HB2  ALA  15           HB2      ALA  15   1.035  -8.577  -7.518
  108    HB3  ALA  15           HB3      ALA  15   0.977  -6.888  -8.022
  109    H    VAL  16           HN       VAL  16   1.868  -6.567  -4.112
  110    HA   VAL  16           HA       VAL  16   1.543  -3.795  -4.625
  111    HB   VAL  16           HB       VAL  16   0.262  -4.697  -2.850
  112   HG11  VAL  16          HG11      VAL  16   2.844  -5.508  -1.514
  113   HG12  VAL  16          HG12      VAL  16   1.687  -6.596  -2.280
  114   HG13  VAL  16          HG13      VAL  16   1.224  -5.688  -0.838
  115   HG21  VAL  16          HG21      VAL  16   0.897  -3.255  -0.966
  116   HG22  VAL  16          HG22      VAL  16   0.994  -2.417  -2.516
  117   HG23  VAL  16          HG23      VAL  16   2.469  -2.979  -1.724
  118    H    MET  17           HN       MET  17   4.143  -5.694  -3.160
  119    HA   MET  17           HA       MET  17   5.631  -3.531  -2.179
  120    HB2  MET  17           HB2      MET  17   6.602  -6.280  -3.018
  121    HB3  MET  17           HB1      MET  17   7.541  -5.106  -2.120
  122    HG2  MET  17           HG2      MET  17   5.906  -5.153  -0.317
  123    HG3  MET  17           HG1      MET  17   4.980  -6.353  -1.209
  124    HE1  MET  17           HE1      MET  17   8.889  -6.192  -1.120
  125    HE2  MET  17           HE2      MET  17   9.270  -7.185   0.287
  126    HE3  MET  17           HE3      MET  17   8.482  -5.622   0.499
  127    H    ARG  18           HN       ARG  18   5.549  -5.000  -5.377
  128    HA   ARG  18           HA       ARG  18   7.917  -3.754  -6.312
  129    HB2  ARG  18           HB2      ARG  18   7.293  -4.498  -8.498
  130    HB3  ARG  18           HB1      ARG  18   6.872  -5.767  -7.353
  131    HG2  ARG  18           HG2      ARG  18   4.580  -5.156  -7.423
  132    HG3  ARG  18           HG1      ARG  18   4.936  -3.729  -8.402
  133    HD2  ARG  18           HD2      ARG  18   5.735  -5.193 -10.203
  134    HD3  ARG  18           HD1      ARG  18   5.379  -6.603  -9.208
  135    HE   ARG  18           HE       ARG  18   3.254  -4.731 -10.036
  136   HH11  ARG  18          HH11      ARG  18   4.591  -7.960  -9.881
  137   HH12  ARG  18          HH12      ARG  18   3.170  -8.726 -10.526
  138   HH21  ARG  18          HH21      ARG  18   1.365  -5.725 -10.895
  139   HH22  ARG  18          HH22      ARG  18   1.347  -7.454 -11.110
  140    H    VAL  19           HN       VAL  19   4.590  -2.742  -6.042
  141    HA   VAL  19           HA       VAL  19   4.898  -0.487  -7.820
  142    HB   VAL  19           HB       VAL  19   2.694  -1.271  -5.892
  143   HG11  VAL  19          HG11      VAL  19   1.366   0.526  -6.887
  144   HG12  VAL  19          HG12      VAL  19   2.764   1.035  -7.834
  145   HG13  VAL  19          HG13      VAL  19   2.802   1.159  -6.080
  146   HG21  VAL  19          HG21      VAL  19   2.785  -1.256  -8.915
  147   HG22  VAL  19          HG22      VAL  19   1.443  -1.795  -7.909
  148   HG23  VAL  19          HG23      VAL  19   2.962  -2.687  -7.896
  149    H    VAL  20           HN       VAL  20   4.840  -1.157  -4.398
  150    HA   VAL  20           HA       VAL  20   5.086   1.461  -3.437
  151    HB   VAL  20           HB       VAL  20   5.823  -1.243  -2.325
  152   HG11  VAL  20          HG11      VAL  20   6.408   1.410  -0.996
  153   HG12  VAL  20          HG12      VAL  20   7.594   0.207  -1.503
  154   HG13  VAL  20          HG13      VAL  20   6.464  -0.164  -0.199
  155   HG21  VAL  20          HG21      VAL  20   3.895   0.930  -1.501
  156   HG22  VAL  20          HG22      VAL  20   4.152  -0.573  -0.616
  157   HG23  VAL  20          HG23      VAL  20   3.488  -0.614  -2.248
  158    H    SER  21           HN       SER  21   7.604  -0.960  -4.265
  159    HA   SER  21           HA       SER  21   9.823   0.551  -3.621
  160    HB2  SER  21           HB2      SER  21   9.388  -1.538  -5.665
  161    HB3  SER  21           HB1      SER  21  10.960  -0.803  -5.451
  162    HG   SER  21           HG       SER  21  11.035  -1.594  -3.391
  163    H    GLU  22           HN       GLU  22   8.118   0.458  -6.727
  164    HA   GLU  22           HA       GLU  22   9.825   2.133  -8.156
  165    HB2  GLU  22           HB2      GLU  22   6.844   1.749  -8.418
  166    HB3  GLU  22           HB1      GLU  22   7.822   2.633  -9.577
  167    HG2  GLU  22           HG2      GLU  22   8.245  -0.258  -8.858
  168    HG3  GLU  22           HG1      GLU  22   7.314   0.301 -10.247
  169    H    GLU  23           HN       GLU  23   7.008   2.999  -6.187
  170    HA   GLU  23           HA       GLU  23   7.237   5.788  -6.852
  171    HB2  GLU  23           HB2      GLU  23   5.446   4.283  -4.932
  172    HB3  GLU  23           HB1      GLU  23   5.377   6.023  -5.125
  173    HG2  GLU  23           HG2      GLU  23   4.917   3.997  -7.307
  174    HG3  GLU  23           HG1      GLU  23   3.666   4.894  -6.448
  175    H    SER  24           HN       SER  24   8.177   3.751  -4.156
  176    HA   SER  24           HA       SER  24   8.816   5.967  -2.437
  177    HB2  SER  24           HB2      SER  24   9.720   4.229  -0.925
  178    HB3  SER  24           HB1      SER  24   8.076   3.872  -1.441
  179    HG   SER  24           HG       SER  24   8.793   2.268  -2.700
  180    H    GLY  25           HN       GLY  25  10.632   3.677  -4.420
  181    HA2  GLY  25           HA2      GLY  25  12.705   4.277  -5.486
  182    HA3  GLY  25           HA1      GLY  25  12.981   5.455  -4.209
  183    H    ILE  26           HN       ILE  26  11.815   2.474  -3.063
  184    HA   ILE  26           HA       ILE  26  14.484   1.829  -2.033
  185    HB   ILE  26           HB       ILE  26  11.988   0.532  -1.023
  186   HG12  ILE  26          HG12      ILE  26  13.006   3.176   0.058
  187   HG13  ILE  26          HG11      ILE  26  11.681   3.074  -1.106
  188   HG21  ILE  26          HG21      ILE  26  13.287   0.555   1.092
  189   HG22  ILE  26          HG22      ILE  26  14.618   1.312   0.218
  190   HG23  ILE  26          HG23      ILE  26  14.089  -0.314  -0.219
  191   HD11  ILE  26          HD11      ILE  26  10.378   1.776   0.489
  192   HD12  ILE  26          HD12      ILE  26  10.890   3.306   1.202
  193   HD13  ILE  26          HD13      ILE  26  11.722   1.812   1.630
  194    H    ALA  27           HN       ALA  27  15.520   0.118  -2.820
  195    HA   ALA  27           HA       ALA  27  14.574  -1.637  -4.761
  196    HB1  ALA  27           HB1      ALA  27  16.763  -2.052  -2.731
  197    HB2  ALA  27           HB2      ALA  27  16.942  -1.332  -4.333
  198    HB3  ALA  27           HB3      ALA  27  16.516  -3.037  -4.172
  199    H    LEU  28           HN       LEU  28  13.759  -3.689  -4.729
  200    HA   LEU  28           HA       LEU  28  11.849  -4.439  -2.897
  201    HB2  LEU  28           HB2      LEU  28  12.603  -5.383  -5.250
  202    HB3  LEU  28           HB1      LEU  28  13.513  -6.508  -4.273
  203    HG   LEU  28           HG       LEU  28  11.542  -7.624  -4.909
  204   HD11  LEU  28          HD11      LEU  28  12.109  -8.034  -2.619
  205   HD12  LEU  28          HD12      LEU  28  10.353  -8.019  -2.800
  206   HD13  LEU  28          HD13      LEU  28  11.182  -6.627  -2.102
  207   HD21  LEU  28          HD21      LEU  28  10.284  -5.621  -5.600
  208   HD22  LEU  28          HD22      LEU  28   9.902  -5.306  -3.907
  209   HD23  LEU  28          HD23      LEU  28   9.314  -6.772  -4.687
  210    H    GLU  29           HN       GLU  29  15.285  -5.283  -2.943
  211    HA   GLU  29           HA       GLU  29  15.029  -7.205  -0.812
  212    HB2  GLU  29           HB2      GLU  29  17.603  -6.006  -1.813
  213    HB3  GLU  29           HB1      GLU  29  17.351  -7.577  -1.070
  214    HG2  GLU  29           HG2      GLU  29  16.175  -8.358  -3.058
  215    HG3  GLU  29           HG1      GLU  29  16.339  -6.761  -3.792
  216    H    GLU  30           HN       GLU  30  15.226  -3.862  -0.898
  217    HA   GLU  30           HA       GLU  30  16.288  -3.783   1.841
  218    HB2  GLU  30           HB2      GLU  30  15.869  -1.421   0.014
  219    HB3  GLU  30           HB1      GLU  30  16.748  -1.466   1.542
  220    HG2  GLU  30           HG2      GLU  30  17.574  -2.622  -1.096
  221    HG3  GLU  30           HG1      GLU  30  18.341  -1.327  -0.191
  222    H    LEU  31           HN       LEU  31  13.528  -3.773  -0.005
  223    HA   LEU  31           HA       LEU  31  11.987  -1.918   1.565
  224    HB2  LEU  31           HB2      LEU  31  11.664  -2.495  -0.882
  225    HB3  LEU  31           HB1      LEU  31  11.031  -4.043  -0.358
  226    HG   LEU  31           HG       LEU  31   9.260  -2.752   0.915
  227   HD11  LEU  31          HD11      LEU  31  10.152  -0.500  -0.878
  228   HD12  LEU  31          HD12      LEU  31  10.524  -0.582   0.848
  229   HD13  LEU  31          HD13      LEU  31   8.847  -0.480   0.307
  230   HD21  LEU  31          HD21      LEU  31   7.959  -2.365  -1.122
  231   HD22  LEU  31          HD22      LEU  31   8.851  -3.888  -1.181
  232   HD23  LEU  31          HD23      LEU  31   9.446  -2.485  -2.071
  233    H    THR  32           HN       THR  32  11.887  -2.543   3.630
  234    HA   THR  32           HA       THR  32  10.942  -5.266   4.226
  235    HB   THR  32           HB       THR  32  12.126  -5.090   6.389
  236    HG1  THR  32           HG1      THR  32  13.374  -2.719   5.487
  237   HG21  THR  32          HG21      THR  32  14.474  -5.057   5.589
  238   HG22  THR  32          HG22      THR  32  13.917  -4.442   4.033
  239   HG23  THR  32          HG23      THR  32  13.436  -6.052   4.573
  240    H    ASP  33           HN       ASP  33   9.608  -5.381   6.247
  241    HA   ASP  33           HA       ASP  33   7.600  -3.344   6.147
  242    HB2  ASP  33           HB2      ASP  33   7.907  -5.773   7.906
  243    HB3  ASP  33           HB1      ASP  33   6.515  -4.695   7.966
  244    H    ASP  34           HN       ASP  34  10.508  -3.436   7.631
  245    HA   ASP  34           HA       ASP  34   9.844  -2.070  10.081
  246    HB2  ASP  34           HB2      ASP  34  11.815  -3.470  10.031
  247    HB3  ASP  34           HB1      ASP  34  12.465  -2.587   8.654
  248    H    SER  35           HN       SER  35  10.339  -1.223   6.807
  249    HA   SER  35           HA       SER  35  11.299   1.460   7.190
  250    HB2  SER  35           HB2      SER  35   9.917   0.215   4.793
  251    HB3  SER  35           HB1      SER  35  10.814   1.733   4.797
  252    HG   SER  35           HG       SER  35  12.667   0.469   5.464
  253    H    ASN  36           HN       ASN  36  10.189   3.367   6.647
  254    HA   ASN  36           HA       ASN  36   7.323   3.296   7.345
  255    HB2  ASN  36           HB2      ASN  36   8.893   4.111   9.185
  256    HB3  ASN  36           HB1      ASN  36   9.302   5.445   8.122
  257   HD21  ASN  36          HD21      ASN  36   6.870   4.139  10.252
  258   HD22  ASN  36          HD22      ASN  36   5.841   5.522  10.215
  259    H    PHE  37           HN       PHE  37   6.070   4.276   5.860
  260    HA   PHE  37           HA       PHE  37   7.090   5.128   3.409
  261    HB2  PHE  37           HB2      PHE  37   4.398   5.480   4.705
  262    HB3  PHE  37           HB1      PHE  37   4.745   6.180   3.124
  263    HD1  PHE  37           HD1      PHE  37   6.164   4.342   1.627
  264    HD2  PHE  37           HD2      PHE  37   3.180   3.509   4.547
  265    HE1  PHE  37           HE1      PHE  37   5.697   2.200   0.531
  266    HE2  PHE  37           HE2      PHE  37   2.710   1.352   3.450
  267    HZ   PHE  37           HZ       PHE  37   3.965   0.703   1.436
  268    H    ALA  38           HN       ALA  38   5.790   7.090   6.077
  269    HA   ALA  38           HA       ALA  38   6.277   9.579   4.787
  270    HB1  ALA  38           HB1      ALA  38   5.661  10.568   6.889
  271    HB2  ALA  38           HB2      ALA  38   5.900   9.030   7.719
  272    HB3  ALA  38           HB3      ALA  38   4.588   9.207   6.556
  273    H    ASP  39           HN       ASP  39   8.213   7.446   6.673
  274    HA   ASP  39           HA       ASP  39  10.236   9.412   7.296
  275    HB2  ASP  39           HB2      ASP  39   9.675   7.364   8.713
  276    HB3  ASP  39           HB1      ASP  39  10.533   6.414   7.504
  277    H    MET  40           HN       MET  40   9.427   7.483   4.630
  278    HA   MET  40           HA       MET  40  12.190   7.444   3.665
  279    HB2  MET  40           HB2      MET  40   9.763   5.872   2.907
  280    HB3  MET  40           HB1      MET  40  11.130   5.999   1.804
  281    HG2  MET  40           HG2      MET  40  11.293   5.038   4.634
  282    HG3  MET  40           HG1      MET  40  11.220   3.984   3.218
  283    HE1  MET  40           HE1      MET  40  13.221   4.178   1.231
  284    HE2  MET  40           HE2      MET  40  14.617   5.240   1.437
  285    HE3  MET  40           HE3      MET  40  13.002   5.926   1.258
  286    H    GLY  41           HN       GLY  41   9.637   9.464   3.524
  287    HA2  GLY  41           HA2      GLY  41   9.691  11.484   2.260
  288    HA3  GLY  41           HA1      GLY  41  10.765  10.699   1.112
  289    H    ILE  42           HN       ILE  42   7.873   9.052   2.088
  290    HA   ILE  42           HA       ILE  42   6.824   9.107  -0.570
  291    HB   ILE  42           HB       ILE  42   5.617   8.159   2.046
  292   HG12  ILE  42          HG12      ILE  42   7.600   6.941   1.019
  293   HG13  ILE  42          HG11      ILE  42   6.161   5.964   1.297
  294   HG21  ILE  42          HG21      ILE  42   3.874   7.066   0.692
  295   HG22  ILE  42          HG22      ILE  42   4.488   7.894  -0.741
  296   HG23  ILE  42          HG23      ILE  42   3.800   8.826   0.589
  297   HD11  ILE  42          HD11      ILE  42   5.583   6.144  -1.063
  298   HD12  ILE  42          HD12      ILE  42   7.193   5.458  -0.844
  299   HD13  ILE  42          HD13      ILE  42   7.012   7.141  -1.342
  300    H    ASP  43           HN       ASP  43   6.091  10.897  -1.408
  301    HA   ASP  43           HA       ASP  43   4.971  13.072   0.122
  302    HB2  ASP  43           HB2      ASP  43   5.889  12.615  -2.607
  303    HB3  ASP  43           HB1      ASP  43   4.326  13.425  -2.609
  304    H    SER  44           HN       SER  44   2.824  13.926  -0.166
  305    HA   SER  44           HA       SER  44   0.676  12.166  -0.126
  306    HB2  SER  44           HB2      SER  44   0.079  14.245   0.664
  307    HB3  SER  44           HB1      SER  44   1.009  15.098  -0.566
  308    H    LEU  45           HN       LEU  45   2.146  13.899  -2.807
  309    HA   LEU  45           HA       LEU  45   0.469  13.105  -4.885
  310    HB2  LEU  45           HB2      LEU  45   2.418  14.758  -4.932
  311    HB3  LEU  45           HB1      LEU  45   3.481  13.370  -5.068
  312    HG   LEU  45           HG       LEU  45   2.938  14.615  -7.206
  313   HD11  LEU  45          HD11      LEU  45   3.935  12.401  -7.238
  314   HD12  LEU  45          HD12      LEU  45   2.775  12.580  -8.554
  315   HD13  LEU  45          HD13      LEU  45   2.339  11.662  -7.112
  316   HD21  LEU  45          HD21      LEU  45   0.295  13.200  -6.885
  317   HD22  LEU  45          HD22      LEU  45   0.835  14.080  -8.315
  318   HD23  LEU  45          HD23      LEU  45   0.552  14.943  -6.805
  319    H    SER  46           HN       SER  46   3.412  11.483  -3.652
  320    HA   SER  46           HA       SER  46   3.207   9.320  -5.467
  321    HB2  SER  46           HB2      SER  46   5.340   9.979  -4.420
  322    HB3  SER  46           HB1      SER  46   4.726   9.444  -2.856
  323    HG   SER  46           HG       SER  46   4.931   7.756  -5.134
  324    H    SER  47           HN       SER  47   2.197   9.718  -2.093
  325    HA   SER  47           HA       SER  47   1.513   7.038  -1.621
  326    HB2  SER  47           HB2      SER  47   0.045   7.998   0.185
  327    HB3  SER  47           HB1      SER  47   1.718   8.556   0.222
  328    HG   SER  47           HG       SER  47  -0.620   9.950  -0.418
  329    H    MET  48           HN       MET  48  -0.251   9.662  -3.112
  330    HA   MET  48           HA       MET  48  -2.763   8.305  -3.231
  331    HB2  MET  48           HB2      MET  48  -2.425  10.816  -3.419
  332    HB3  MET  48           HB1      MET  48  -1.772  10.543  -5.019
  333    HG2  MET  48           HG2      MET  48  -4.009   9.399  -5.530
  334    HG3  MET  48           HG1      MET  48  -4.604  10.207  -4.079
  335    HE1  MET  48           HE1      MET  48  -2.998  12.415  -7.794
  336    HE2  MET  48           HE2      MET  48  -3.202  10.666  -7.715
  337    HE3  MET  48           HE3      MET  48  -1.976  11.457  -6.722
  338    H    VAL  49           HN       VAL  49   0.038   8.597  -5.272
  339    HA   VAL  49           HA       VAL  49  -1.138   7.465  -7.598
  340    HB   VAL  49           HB       VAL  49   1.731   7.949  -6.755
  341   HG11  VAL  49          HG11      VAL  49   1.695   5.982  -8.199
  342   HG12  VAL  49          HG12      VAL  49   2.411   7.361  -9.031
  343   HG13  VAL  49          HG13      VAL  49   0.759   6.869  -9.404
  344   HG21  VAL  49          HG21      VAL  49   0.032   9.230  -8.905
  345   HG22  VAL  49          HG22      VAL  49   1.677   9.682  -8.460
  346   HG23  VAL  49          HG23      VAL  49   0.355   9.924  -7.316
  347    H    ILE  50           HN       ILE  50   0.863   6.191  -4.946
  348    HA   ILE  50           HA       ILE  50   1.186   3.592  -5.833
  349    HB   ILE  50           HB       ILE  50   0.699   4.435  -2.967
  350   HG12  ILE  50          HG12      ILE  50   3.294   4.177  -4.515
  351   HG13  ILE  50          HG11      ILE  50   2.546   5.692  -4.028
  352   HG21  ILE  50          HG21      ILE  50   1.954   2.412  -2.400
  353   HG22  ILE  50          HG22      ILE  50   2.074   2.009  -4.114
  354   HG23  ILE  50          HG23      ILE  50   0.499   2.033  -3.323
  355   HD11  ILE  50          HD11      ILE  50   3.598   3.574  -2.167
  356   HD12  ILE  50          HD12      ILE  50   2.866   5.104  -1.688
  357   HD13  ILE  50          HD13      ILE  50   4.394   5.098  -2.567
  358    H    GLY  51           HN       GLY  51  -1.428   4.833  -3.736
  359    HA2  GLY  51           HA2      GLY  51  -2.961   2.466  -3.723
  360    HA3  GLY  51           HA1      GLY  51  -3.561   4.076  -3.354
  361    H    SER  52           HN       SER  52  -2.786   5.127  -5.987
  362    HA   SER  52           HA       SER  52  -5.101   4.475  -7.459
  363    HB2  SER  52           HB2      SER  52  -2.955   6.366  -7.586
  364    HB3  SER  52           HB1      SER  52  -3.257   5.714  -9.192
  365    HG   SER  52           HG       SER  52  -4.849   7.299  -7.556
  366    H    ARG  53           HN       ARG  53  -1.673   3.572  -7.788
  367    HA   ARG  53           HA       ARG  53  -2.048   2.117 -10.195
  368    HB2  ARG  53           HB2      ARG  53   0.142   1.798  -8.146
  369    HB3  ARG  53           HB1      ARG  53   0.161   1.142  -9.775
  370    HG2  ARG  53           HG2      ARG  53  -0.132   3.643 -10.466
  371    HG3  ARG  53           HG1      ARG  53   0.510   3.946  -8.852
  372    HD2  ARG  53           HD2      ARG  53   2.505   3.796  -9.937
  373    HD3  ARG  53           HD1      ARG  53   2.224   2.082  -9.628
  374    HE   ARG  53           HE       ARG  53   1.087   2.818 -12.136
  375   HH11  ARG  53          HH11      ARG  53   4.185   2.264 -10.587
  376   HH12  ARG  53          HH12      ARG  53   4.935   1.612 -12.010
  377   HH21  ARG  53          HH21      ARG  53   2.053   1.926 -14.004
  378   HH22  ARG  53          HH22      ARG  53   3.715   1.408 -13.951
  379    H    PHE  54           HN       PHE  54  -2.534   1.366  -6.848
  380    HA   PHE  54           HA       PHE  54  -2.659  -1.436  -6.965
  381    HB2  PHE  54           HB2      PHE  54  -4.296   0.583  -5.413
  382    HB3  PHE  54           HB1      PHE  54  -4.511  -1.152  -5.234
  383    HD1  PHE  54           HD1      PHE  54  -1.211  -0.922  -5.888
  384    HD2  PHE  54           HD2      PHE  54  -3.969   0.105  -2.822
  385    HE1  PHE  54           HE1      PHE  54   0.608  -0.975  -4.238
  386    HE2  PHE  54           HE2      PHE  54  -2.156   0.047  -1.160
  387    HZ   PHE  54           HZ       PHE  54   0.068  -0.472  -1.799
  388    H    ARG  55           HN       ARG  55  -4.987   1.057  -7.842
  389    HA   ARG  55           HA       ARG  55  -6.998  -0.846  -8.662
  390    HB2  ARG  55           HB2      ARG  55  -6.888   2.110  -9.256
  391    HB3  ARG  55           HB1      ARG  55  -8.307   1.074  -9.237
  392    HG2  ARG  55           HG2      ARG  55  -8.031   0.770  -6.818
  393    HG3  ARG  55           HG1      ARG  55  -6.641   1.862  -6.854
  394    HD2  ARG  55           HD2      ARG  55  -8.606   3.076  -6.145
  395    HD3  ARG  55           HD1      ARG  55  -8.115   3.638  -7.740
  396    HE   ARG  55           HE       ARG  55  -9.949   1.747  -8.323
  397   HH11  ARG  55          HH11      ARG  55 -10.012   4.516  -6.172
  398   HH12  ARG  55          HH12      ARG  55 -11.727   4.745  -6.325
  399   HH21  ARG  55          HH21      ARG  55 -12.184   2.052  -8.523
  400   HH22  ARG  55          HH22      ARG  55 -12.966   3.347  -7.658
  401    H    GLU  56           HN       GLU  56  -4.360   0.855 -10.088
  402    HA   GLU  56           HA       GLU  56  -5.260   0.721 -12.807
  403    HB2  GLU  56           HB2      GLU  56  -3.813   2.529 -12.213
  404    HB3  GLU  56           HB1      GLU  56  -2.648   1.439 -11.478
  405    HG2  GLU  56           HG2      GLU  56  -2.048   0.565 -13.643
  406    HG3  GLU  56           HG1      GLU  56  -3.266   1.577 -14.415
  407    H    ASP  57           HN       ASP  57  -2.533  -0.818 -11.117
  408    HA   ASP  57           HA       ASP  57  -2.144  -2.587 -13.384
  409    HB2  ASP  57           HB2      ASP  57  -0.206  -1.501 -12.358
  410    HB3  ASP  57           HB1      ASP  57  -0.575  -2.269 -10.818
  411    H    LEU  58           HN       LEU  58  -3.036  -2.810  -9.985
  412    HA   LEU  58           HA       LEU  58  -3.123  -5.716 -10.131
  413    HB2  LEU  58           HB2      LEU  58  -3.359  -3.740  -7.879
  414    HB3  LEU  58           HB1      LEU  58  -3.809  -5.418  -7.653
  415    HG   LEU  58           HG       LEU  58  -1.535  -6.131  -8.176
  416   HD11  LEU  58          HD11      LEU  58  -0.871  -3.203  -8.409
  417   HD12  LEU  58          HD12      LEU  58  -0.973  -4.336  -9.755
  418   HD13  LEU  58          HD13      LEU  58   0.262  -4.550  -8.517
  419   HD21  LEU  58          HD21      LEU  58  -0.422  -5.241  -6.204
  420   HD22  LEU  58          HD22      LEU  58  -2.116  -5.592  -5.859
  421   HD23  LEU  58          HD23      LEU  58  -1.595  -3.926  -6.120
  422    H    GLY  59           HN       GLY  59  -5.321  -3.002  -9.625
  423    HA2  GLY  59           HA2      GLY  59  -7.562  -2.978 -10.402
  424    HA3  GLY  59           HA1      GLY  59  -7.553  -4.736 -10.399
  425    H    LEU  60           HN       LEU  60  -6.342  -2.908  -7.693
  426    HA   LEU  60           HA       LEU  60  -8.245  -4.171  -5.931
  427    HB2  LEU  60           HB2      LEU  60  -6.213  -2.035  -5.297
  428    HB3  LEU  60           HB1      LEU  60  -7.006  -3.098  -4.153
  429    HG   LEU  60           HG       LEU  60  -4.967  -3.895  -6.232
  430   HD11  LEU  60          HD11      LEU  60  -4.836  -3.801  -3.221
  431   HD12  LEU  60          HD12      LEU  60  -4.006  -2.721  -4.339
  432   HD13  LEU  60          HD13      LEU  60  -3.575  -4.430  -4.282
  433   HD21  LEU  60          HD21      LEU  60  -6.619  -5.657  -5.952
  434   HD22  LEU  60          HD22      LEU  60  -6.408  -5.593  -4.201
  435   HD23  LEU  60          HD23      LEU  60  -5.076  -6.115  -5.234
  436    H    ASP  61           HN       ASP  61 -10.305  -3.324  -5.903
  437    HA   ASP  61           HA       ASP  61 -10.666  -0.491  -6.342
  438    HB2  ASP  61           HB2      ASP  61 -13.112  -0.991  -6.204
  439    HB3  ASP  61           HB1      ASP  61 -12.264  -1.874  -7.470
  440    H    LEU  62           HN       LEU  62  -9.547   0.184  -4.530
  441    HA   LEU  62           HA       LEU  62 -10.462  -0.441  -1.869
  442    HB2  LEU  62           HB2      LEU  62  -8.491   1.642  -2.798
  443    HB3  LEU  62           HB1      LEU  62  -8.647   1.015  -1.171
  444    HG   LEU  62           HG       LEU  62  -7.903  -0.764  -3.472
  445   HD11  LEU  62          HD11      LEU  62  -6.036   0.812  -1.722
  446   HD12  LEU  62          HD12      LEU  62  -6.348   1.127  -3.427
  447   HD13  LEU  62          HD13      LEU  62  -5.577  -0.382  -2.934
  448   HD21  LEU  62          HD21      LEU  62  -7.439  -0.893  -0.498
  449   HD22  LEU  62          HD22      LEU  62  -6.843  -2.062  -1.676
  450   HD23  LEU  62          HD23      LEU  62  -8.580  -1.870  -1.422
  451    H    GLY  63           HN       GLY  63  -9.863   2.700  -3.382
  452    HA2  GLY  63           HA2      GLY  63 -12.392   3.839  -3.062
  453    HA3  GLY  63           HA1      GLY  63 -11.448   4.142  -1.606
  454    HA   PRO  64           HA       PRO  64 -10.105   6.995  -5.130
  455    HB2  PRO  64           HB2      PRO  64 -11.796   9.102  -4.962
  456    HB3  PRO  64           HB1      PRO  64 -12.104   7.695  -6.001
  457    HG2  PRO  64           HG2      PRO  64 -13.264   8.390  -3.355
  458    HG3  PRO  64           HG1      PRO  64 -14.031   7.599  -4.738
  459    HD2  PRO  64           HD2      PRO  64 -13.096   6.312  -2.471
  460    HD3  PRO  64           HD1      PRO  64 -13.381   5.533  -4.045
  461    H    GLU  65           HN       GLU  65 -11.148   7.663  -1.824
  462    HA   GLU  65           HA       GLU  65  -9.279   9.925  -1.666
  463    HB2  GLU  65           HB2      GLU  65 -11.230   8.956   0.429
  464    HB3  GLU  65           HB1      GLU  65 -10.312  10.454   0.462
  465    HG2  GLU  65           HG2      GLU  65 -12.374  11.184  -0.191
  466    HG3  GLU  65           HG1      GLU  65 -11.589  10.954  -1.751
  467    H    PHE  66           HN       PHE  66  -8.409   7.108  -1.803
  468    HA   PHE  66           HA       PHE  66  -7.402   6.602   0.883
  469    HB2  PHE  66           HB2      PHE  66  -8.374   4.752  -0.468
  470    HB3  PHE  66           HB1      PHE  66  -7.084   4.959  -1.643
  471    HD1  PHE  66           HD2      PHE  66  -7.879   3.897   1.779
  472    HD2  PHE  66           HD1      PHE  66  -4.908   4.070  -1.265
  473    HE1  PHE  66           HE2      PHE  66  -6.482   2.337   3.057
  474    HE2  PHE  66           HE1      PHE  66  -3.507   2.508   0.011
  475    HZ   PHE  66           HZ       PHE  66  -4.297   1.583   2.119
  476    H    SER  67           HN       SER  67  -5.576   7.631   1.452
  477    HA   SER  67           HA       SER  67  -3.377   7.663  -0.503
  478    HB2  SER  67           HB2      SER  67  -4.370   9.932  -0.405
  479    HB3  SER  67           HB1      SER  67  -4.090   9.968   1.337
  480    HG   SER  67           HG       SER  67  -2.457  10.964  -0.209
  481    H    LEU  68           HN       LEU  68  -1.612   6.746   0.273
  482    HA   LEU  68           HA       LEU  68  -1.500   5.576   2.819
  483    HB2  LEU  68           HB2      LEU  68   0.805   6.198   0.989
  484    HB3  LEU  68           HB1      LEU  68   0.805   5.028   2.289
  485    HG   LEU  68           HG       LEU  68  -0.799   4.862  -0.259
  486   HD11  LEU  68          HD11      LEU  68   1.452   4.385  -0.734
  487   HD12  LEU  68          HD12      LEU  68   0.662   2.818  -0.527
  488   HD13  LEU  68          HD13      LEU  68   1.658   3.484   0.769
  489   HD21  LEU  68          HD21      LEU  68  -1.418   2.629   0.546
  490   HD22  LEU  68          HD22      LEU  68  -2.028   3.907   1.600
  491   HD23  LEU  68          HD23      LEU  68  -0.612   2.972   2.078
  492    H    PHE  69           HN       PHE  69  -0.841   8.755   1.844
  493    HA   PHE  69           HA       PHE  69   1.194   9.391   3.734
  494    HB2  PHE  69           HB2      PHE  69   0.740  10.583   1.559
  495    HB3  PHE  69           HB1      PHE  69  -0.707  11.262   2.295
  496    HD1  PHE  69           HD1      PHE  69   2.620  10.763   3.816
  497    HD2  PHE  69           HD2      PHE  69  -0.249  13.537   2.356
  498    HE1  PHE  69           HE1      PHE  69   3.974  12.626   4.709
  499    HE2  PHE  69           HE2      PHE  69   1.087  15.404   3.235
  500    HZ   PHE  69           HZ       PHE  69   3.176  14.983   4.387
  501    H    ILE  70           HN       ILE  70  -2.167   8.925   3.950
  502    HA   ILE  70           HA       ILE  70  -2.175  10.163   6.627
  503    HB   ILE  70           HB       ILE  70  -4.463  10.282   4.622
  504   HG12  ILE  70          HG12      ILE  70  -2.751  12.450   5.871
  505   HG13  ILE  70          HG11      ILE  70  -2.660  11.910   4.200
  506   HG21  ILE  70          HG21      ILE  70  -5.684  11.519   6.331
  507   HG22  ILE  70          HG22      ILE  70  -4.356  11.296   7.469
  508   HG23  ILE  70          HG23      ILE  70  -5.276   9.901   6.905
  509   HD11  ILE  70          HD11      ILE  70  -5.048  13.225   5.476
  510   HD12  ILE  70          HD12      ILE  70  -4.910  12.723   3.791
  511   HD13  ILE  70          HD13      ILE  70  -3.881  14.014   4.413
  512    H    ASP  71           HN       ASP  71  -3.369   7.635   4.491
  513    HA   ASP  71           HA       ASP  71  -4.896   6.397   6.635
  514    HB2  ASP  71           HB2      ASP  71  -4.578   5.618   3.722
  515    HB3  ASP  71           HB1      ASP  71  -5.655   4.843   4.868
  516    H    CYS  72           HN       CYS  72  -1.733   6.393   6.111
  517    HA   CYS  72           HA       CYS  72  -1.304   3.737   7.095
  518    HB2  CYS  72           HB2      CYS  72  -0.425   4.455   4.293
  519    HB3  CYS  72           HB1      CYS  72   0.291   3.139   5.214
  520    HG   CYS  72           HG       CYS  72  -3.001   2.852   5.165
  521    H    THR  73           HN       THR  73   1.018   3.372   7.546
  522    HA   THR  73           HA       THR  73   2.572   5.861   7.678
  523    HB   THR  73           HB       THR  73   3.217   5.341   9.995
  524    HG1  THR  73           HG1      THR  73   1.418   3.655  10.832
  525   HG21  THR  73          HG21      THR  73   0.257   5.493   9.446
  526   HG22  THR  73          HG22      THR  73   1.368   6.846   9.685
  527   HG23  THR  73          HG23      THR  73   0.976   5.775  11.034
  528    H    THR  74           HN       THR  74   3.115   2.530   8.897
  529    HA   THR  74           HA       THR  74   5.701   2.479   7.583
  530    HB   THR  74           HB       THR  74   6.030   0.314   8.667
  531    HG1  THR  74           HG1      THR  74   4.207  -0.328  10.146
  532   HG21  THR  74          HG21      THR  74   4.793   2.352  10.523
  533   HG22  THR  74          HG22      THR  74   6.474   2.297   9.999
  534   HG23  THR  74          HG23      THR  74   5.832   1.014  11.022
  535    H    VAL  75           HN       VAL  75   6.117   0.021   6.610
  536    HA   VAL  75           HA       VAL  75   4.540   0.081   4.193
  537    HB   VAL  75           HB       VAL  75   6.340  -2.205   4.555
  538   HG11  VAL  75          HG11      VAL  75   7.174  -1.462   2.353
  539   HG12  VAL  75          HG12      VAL  75   6.120  -0.055   2.462
  540   HG13  VAL  75          HG13      VAL  75   5.421  -1.673   2.390
  541   HG21  VAL  75          HG21      VAL  75   7.627  -0.715   5.871
  542   HG22  VAL  75          HG22      VAL  75   7.419   0.588   4.702
  543   HG23  VAL  75          HG23      VAL  75   8.395  -0.822   4.287
  544    H    ARG  76           HN       ARG  76   5.120  -2.022   6.918
  545    HA   ARG  76           HA       ARG  76   3.547  -4.200   6.231
  546    HB2  ARG  76           HB2      ARG  76   5.190  -4.038   8.109
  547    HB3  ARG  76           HB1      ARG  76   3.982  -3.129   9.012
  548    HG2  ARG  76           HG2      ARG  76   3.894  -5.385   9.737
  549    HG3  ARG  76           HG1      ARG  76   2.459  -5.078   8.756
  550    HD2  ARG  76           HD2      ARG  76   3.419  -6.192   6.875
  551    HD3  ARG  76           HD1      ARG  76   4.971  -6.346   7.696
  552    HE   ARG  76           HE       ARG  76   2.735  -7.631   9.017
  553   HH11  ARG  76          HH11      ARG  76   5.435  -7.972   6.809
  554   HH12  ARG  76          HH12      ARG  76   5.529  -9.700   6.994
  555   HH21  ARG  76          HH21      ARG  76   2.869  -9.898   9.272
  556   HH22  ARG  76          HH22      ARG  76   4.070 -10.792   8.385
  557    H    ALA  77           HN       ALA  77   2.692  -1.078   7.561
  558    HA   ALA  77           HA       ALA  77   0.095  -1.654   8.461
  559    HB1  ALA  77           HB1      ALA  77   1.148   0.934   7.313
  560    HB2  ALA  77           HB2      ALA  77   1.235   0.438   9.003
  561    HB3  ALA  77           HB3      ALA  77  -0.331   0.748   8.254
  562    H    LEU  78           HN       LEU  78   1.372  -0.959   5.269
  563    HA   LEU  78           HA       LEU  78  -1.163  -0.760   3.961
  564    HB2  LEU  78           HB2      LEU  78   1.399  -0.187   3.252
  565    HB3  LEU  78           HB1      LEU  78   1.186  -1.720   2.439
  566    HG   LEU  78           HG       LEU  78  -0.653   0.630   2.075
  567   HD11  LEU  78          HD11      LEU  78   1.760  -0.219   0.481
  568   HD12  LEU  78          HD12      LEU  78   1.542   1.294   1.357
  569   HD13  LEU  78          HD13      LEU  78   0.563   0.952  -0.068
  570   HD21  LEU  78          HD21      LEU  78  -0.245  -1.867   0.447
  571   HD22  LEU  78          HD22      LEU  78  -1.287  -0.510   0.024
  572   HD23  LEU  78          HD23      LEU  78  -1.646  -1.482   1.453
  573    H    LYS  79           HN       LYS  79   1.308  -3.243   4.238
  574    HA   LYS  79           HA       LYS  79   0.269  -5.381   2.879
  575    HB2  LYS  79           HB2      LYS  79   1.624  -5.559   5.564
  576    HB3  LYS  79           HB1      LYS  79   1.641  -6.764   4.281
  577    HG2  LYS  79           HG2      LYS  79   2.759  -4.025   3.824
  578    HG3  LYS  79           HG1      LYS  79   3.720  -5.259   4.627
  579    HD2  LYS  79           HD2      LYS  79   3.303  -6.747   2.672
  580    HD3  LYS  79           HD1      LYS  79   2.514  -5.382   1.876
  581    HE2  LYS  79           HE2      LYS  79   4.761  -5.441   1.081
  582    HE3  LYS  79           HE1      LYS  79   4.633  -4.082   2.205
  583    HZ1  LYS  79           HZ1      LYS  79   5.619  -5.474   3.939
  584    HZ2  LYS  79           HZ2      LYS  79   6.650  -5.337   2.604
  585    HZ3  LYS  79           HZ3      LYS  79   5.767  -6.757   2.840
  586    H    ASP  80           HN       ASP  80  -0.186  -4.745   6.344
  587    HA   ASP  80           HA       ASP  80  -1.867  -6.925   6.850
  588    HB2  ASP  80           HB2      ASP  80  -0.643  -5.694   8.597
  589    HB3  ASP  80           HB1      ASP  80  -1.687  -4.298   8.338
  590    H    PHE  81           HN       PHE  81  -2.594  -3.643   5.891
  591    HA   PHE  81           HA       PHE  81  -5.374  -3.692   6.288
  592    HB2  PHE  81           HB2      PHE  81  -4.132  -1.607   5.915
  593    HB3  PHE  81           HB1      PHE  81  -3.752  -2.111   4.270
  594    HD1  PHE  81           HD1      PHE  81  -6.521  -1.147   6.529
  595    HD2  PHE  81           HD2      PHE  81  -5.264  -1.737   2.502
  596    HE1  PHE  81           HE1      PHE  81  -8.578  -0.060   5.729
  597    HE2  PHE  81           HE2      PHE  81  -7.321  -0.650   1.699
  598    HZ   PHE  81           HZ       PHE  81  -9.000   0.139   3.303
  599    H    MET  82           HN       MET  82  -3.370  -4.677   3.584
  600    HA   MET  82           HA       MET  82  -5.357  -4.998   1.645
  601    HB2  MET  82           HB2      MET  82  -2.957  -6.784   1.849
  602    HB3  MET  82           HB1      MET  82  -3.795  -6.253   0.399
  603    HG2  MET  82           HG2      MET  82  -3.025  -3.956   0.796
  604    HG3  MET  82           HG1      MET  82  -2.144  -4.518   2.222
  605    HE1  MET  82           HE1      MET  82  -1.865  -3.657  -1.422
  606    HE2  MET  82           HE2      MET  82  -2.681  -5.220  -1.566
  607    HE3  MET  82           HE3      MET  82  -1.034  -5.032  -2.164
  608    H    LEU  83           HN       LEU  83  -3.993  -7.450   3.856
  609    HA   LEU  83           HA       LEU  83  -5.842  -9.442   2.955
  610    HB2  LEU  83           HB2      LEU  83  -3.971  -9.395   5.332
  611    HB3  LEU  83           HB1      LEU  83  -4.955 -10.777   4.901
  612    HG   LEU  83           HG       LEU  83  -3.720 -10.781   2.663
  613   HD11  LEU  83          HD11      LEU  83  -1.858  -8.962   4.181
  614   HD12  LEU  83          HD12      LEU  83  -2.801  -8.537   2.751
  615   HD13  LEU  83          HD13      LEU  83  -1.517  -9.737   2.634
  616   HD21  LEU  83          HD21      LEU  83  -1.815 -12.001   3.564
  617   HD22  LEU  83          HD22      LEU  83  -3.277 -12.409   4.464
  618   HD23  LEU  83          HD23      LEU  83  -2.094 -11.298   5.158
  619    H    GLY  84           HN       GLY  84  -5.576  -7.369   5.808
  620    HA2  GLY  84           HA2      GLY  84  -7.795  -6.529   6.586
  621    HA3  GLY  84           HA1      GLY  84  -8.326  -8.204   6.511
  622    H    SER  85           HN       SER  85  -7.570  -5.905   8.580
  623    HA   SER  85           HA       SER  85  -5.823  -7.249  10.411
  624    HB2  SER  85           HB2      SER  85  -7.658  -4.919  10.981
  625    HB3  SER  85           HB1      SER  85  -6.156  -5.336  11.806
  626    HG   SER  85           HG       SER  85  -5.060  -4.917   9.799
  627    H    GLY  86           HN       GLY  86  -7.961  -8.938   9.771
  628    HA2  GLY  86           HA2      GLY  86 -10.000  -8.860  11.783
  629    HA3  GLY  86           HA1      GLY  86  -9.660 -10.194  10.691
  630    H    ASP  87           HN       ASP  87  -7.350 -11.173  11.219
  631    HA   ASP  87           HA       ASP  87  -6.679 -11.213  14.016
  632    HB2  ASP  87           HB2      ASP  87  -8.541 -12.796  14.042
  633    HB3  ASP  87           HB1      ASP  87  -7.814 -13.698  12.716
  634    H    ALA  88           HN       ALA  88  -4.561 -11.122  13.948
  635    HA   ALA  88           HA       ALA  88  -3.129 -13.051  12.268
  636    HB1  ALA  88           HB1      ALA  88  -2.389 -10.128  12.422
  637    HB2  ALA  88           HB2      ALA  88  -3.161 -10.908  11.042
  638    HB3  ALA  88           HB3      ALA  88  -1.533 -11.382  11.527
  639    H    GLY  89           HN       GLY  89  -2.349 -10.360  14.459
  640    HA2  GLY  89           HA2      GLY  89  -1.559 -10.646  16.688
  641    HA3  GLY  89           HA1      GLY  89  -1.071 -12.281  16.268
  642   H282  PNS  90          H28A      PNS  44  -1.807  14.328  -3.198
  643   H281  PNS  90          H28B      PNS  44  -3.195  13.252  -3.397
  644   H303  PNS  90          H30A      PNS  44  -2.006  16.709  -3.699
  645   H302  PNS  90          H30B      PNS  44  -3.373  16.802  -2.588
  646   H301  PNS  90          H30C      PNS  44  -3.537  17.394  -4.242
  647   H313  PNS  90          H31A      PNS  44  -3.378  14.021  -5.806
  648   H312  PNS  90          H31B      PNS  44  -1.967  15.034  -5.510
  649   H311  PNS  90          H31C      PNS  44  -3.443  15.749  -6.155
  650    H32  PNS  90          H32A      PNS  44  -5.391  14.197  -4.395
  651    H33  PNS  90          H33A      PNS  44  -4.781  14.979  -2.048
  652    H36  PNS  90          H36A      PNS  44  -5.386  15.309  -6.513
  653   H372  PNS  90          H37A      PNS  44  -7.278  17.472  -6.613
  654   H371  PNS  90          H37B      PNS  44  -5.668  17.911  -7.185
  655   H382  PNS  90          H38A      PNS  44  -7.156  15.531  -8.258
  656   H381  PNS  90          H38B      PNS  44  -7.380  17.146  -8.912
  657    H41  PNS  90          H41A      PNS  44  -6.665  15.582 -10.727
  658   H422  PNS  90          H42A      PNS  44  -4.093  16.418 -11.619
  659   H421  PNS  90          H42B      PNS  44  -4.097  14.711 -11.182
  660   H431  PNS  90          H43A      PNS  44  -4.522  14.965 -13.549
  661   H432  PNS  90          H43B      PNS  44  -5.867  16.051 -13.217
  662    H44  PNS  90           H1       PNS  44  -7.497  14.119 -12.069
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1 -22.251  -3.829   8.005
    2    H2   ALA   1           HT2      ALA   1 -22.992  -4.756   9.218
    3    H3   ALA   1           HT3      ALA   1 -23.291  -5.103   7.588
    4    HA   ALA   1           HA       ALA   1 -21.788  -6.712   8.513
    5    HB1  ALA   1           HB1      ALA   1 -20.029  -6.543   6.837
    6    HB2  ALA   1           HB2      ALA   1 -20.427  -4.846   6.567
    7    HB3  ALA   1           HB3      ALA   1 -21.591  -6.102   6.147
    8    H    MET   2           HN       MET   2 -21.156  -3.494   9.449
    9    HA   MET   2           HA       MET   2 -19.661  -2.476  10.812
   10    HB2  MET   2           HB2      MET   2 -19.234  -5.295  11.812
   11    HB3  MET   2           HB1      MET   2 -18.601  -3.857  12.597
   12    HG2  MET   2           HG2      MET   2 -20.875  -3.049  12.961
   13    HG3  MET   2           HG1      MET   2 -21.514  -4.490  12.170
   14    HE1  MET   2           HE1      MET   2 -19.672  -3.044  15.318
   15    HE2  MET   2           HE2      MET   2 -18.460  -4.143  14.658
   16    HE3  MET   2           HE3      MET   2 -19.243  -4.516  16.192
   17    H    ALA   3           HN       ALA   3 -18.495  -2.054   8.798
   18    HA   ALA   3           HA       ALA   3 -16.563  -1.705   7.692
   19    HB1  ALA   3           HB1      ALA   3 -15.244  -3.244   9.916
   20    HB2  ALA   3           HB2      ALA   3 -15.494  -1.498   9.864
   21    HB3  ALA   3           HB3      ALA   3 -14.424  -2.272   8.695
   22    H    LYS   4           HN       LYS   4 -15.843  -2.573   5.903
   23    HA   LYS   4           HA       LYS   4 -15.478  -5.482   5.742
   24    HB2  LYS   4           HB2      LYS   4 -17.728  -5.106   4.919
   25    HB3  LYS   4           HB1      LYS   4 -17.156  -3.851   3.832
   26    HG2  LYS   4           HG2      LYS   4 -16.008  -5.434   2.469
   27    HG3  LYS   4           HG1      LYS   4 -16.266  -6.721   3.649
   28    HD2  LYS   4           HD2      LYS   4 -18.526  -5.292   2.269
   29    HD3  LYS   4           HD1      LYS   4 -17.778  -6.754   1.625
   30    HE2  LYS   4           HE2      LYS   4 -19.018  -6.527   4.365
   31    HE3  LYS   4           HE1      LYS   4 -19.835  -7.197   2.950
   32    HZ1  LYS   4           HZ1      LYS   4 -18.192  -8.932   2.830
   33    HZ2  LYS   4           HZ2      LYS   4 -18.848  -8.905   4.392
   34    HZ3  LYS   4           HZ3      LYS   4 -17.308  -8.255   4.111
   35    H    GLY   5           HN       GLY   5 -13.547  -5.884   5.005
   36    HA2  GLY   5           HA2      GLY   5 -12.217  -3.852   3.337
   37    HA3  GLY   5           HA1      GLY   5 -11.382  -4.991   4.387
   38    H    VAL   6           HN       VAL   6 -10.208  -5.225   2.225
   39    HA   VAL   6           HA       VAL   6 -11.623  -6.685   0.185
   40    HB   VAL   6           HB       VAL   6  -8.670  -6.149   0.358
   41   HG11  VAL   6          HG11      VAL   6 -10.434  -6.864  -1.981
   42   HG12  VAL   6          HG12      VAL   6  -9.252  -7.923  -1.212
   43   HG13  VAL   6          HG13      VAL   6  -8.714  -6.484  -2.076
   44   HG21  VAL   6          HG21      VAL   6  -9.110  -4.264  -1.180
   45   HG22  VAL   6          HG22      VAL   6  -9.836  -4.036   0.411
   46   HG23  VAL   6          HG23      VAL   6 -10.840  -4.524  -0.955
   47    H    GLY   7           HN       GLY   7  -8.475  -7.494   1.612
   48    HA2  GLY   7           HA2      GLY   7  -7.900  -9.535   2.674
   49    HA3  GLY   7           HA1      GLY   7  -9.432 -10.217   2.132
   50    H    VAL   8           HN       VAL   8  -6.115  -9.686   1.369
   51    HA   VAL   8           HA       VAL   8  -6.547 -10.696  -1.365
   52    HB   VAL   8           HB       VAL   8  -4.598  -9.544  -2.111
   53   HG11  VAL   8          HG11      VAL   8  -6.561  -8.111  -1.842
   54   HG12  VAL   8          HG12      VAL   8  -5.060  -7.216  -1.608
   55   HG13  VAL   8          HG13      VAL   8  -6.030  -7.692  -0.214
   56   HG21  VAL   8          HG21      VAL   8  -3.993  -9.003   0.793
   57   HG22  VAL   8          HG22      VAL   8  -3.134  -8.263  -0.558
   58   HG23  VAL   8          HG23      VAL   8  -3.069 -10.013  -0.325
   59    H    SER   9           HN       SER   9  -4.940 -12.159  -2.220
   60    HA   SER   9           HA       SER   9  -3.873 -13.976  -0.243
   61    HB2  SER   9           HB2      SER   9  -4.966 -14.850  -2.283
   62    HB3  SER   9           HB1      SER   9  -3.748 -14.055  -3.274
   63    HG   SER   9           HG       SER   9  -3.639 -16.469  -2.218
   64    H    ASN  10           HN       ASN  10  -1.559 -14.876  -1.044
   65    HA   ASN  10           HA       ASN  10   0.256 -12.810  -0.319
   66    HB2  ASN  10           HB2      ASN  10   0.497 -15.289   0.195
   67    HB3  ASN  10           HB1      ASN  10   0.975 -15.502  -1.485
   68   HD21  ASN  10          HD21      ASN  10   2.985 -14.748  -2.167
   69   HD22  ASN  10          HD22      ASN  10   4.211 -14.250  -1.047
   70    H    GLU  11           HN       GLU  11  -0.968 -14.030  -3.256
   71    HA   GLU  11           HA       GLU  11   0.975 -13.207  -5.101
   72    HB2  GLU  11           HB2      GLU  11  -0.810 -14.577  -5.899
   73    HB3  GLU  11           HB1      GLU  11  -2.033 -13.479  -5.264
   74    HG2  GLU  11           HG2      GLU  11  -0.855 -11.799  -6.930
   75    HG3  GLU  11           HG1      GLU  11  -0.416 -13.299  -7.739
   76    H    LYS  12           HN       LYS  12  -1.863 -11.480  -3.827
   77    HA   LYS  12           HA       LYS  12  -1.283  -9.118  -5.321
   78    HB2  LYS  12           HB2      LYS  12  -3.480 -10.075  -3.931
   79    HB3  LYS  12           HB1      LYS  12  -2.917  -8.775  -2.892
   80    HG2  LYS  12           HG2      LYS  12  -4.535  -7.801  -4.304
   81    HG3  LYS  12           HG1      LYS  12  -2.979  -7.285  -4.954
   82    HD2  LYS  12           HD2      LYS  12  -4.075  -7.935  -6.874
   83    HD3  LYS  12           HD1      LYS  12  -3.222  -9.414  -6.444
   84    HE2  LYS  12           HE2      LYS  12  -5.394 -10.080  -5.211
   85    HE3  LYS  12           HE1      LYS  12  -6.137  -8.762  -6.119
   86    HZ1  LYS  12           HZ1      LYS  12  -4.675 -11.045  -7.348
   87    HZ2  LYS  12           HZ2      LYS  12  -5.506  -9.811  -8.174
   88    HZ3  LYS  12           HZ3      LYS  12  -6.362 -10.923  -7.226
   89    H    LEU  13           HN       LEU  13  -0.313 -10.423  -2.273
   90    HA   LEU  13           HA       LEU  13   0.781  -8.054  -1.150
   91    HB2  LEU  13           HB2      LEU  13   0.319 -10.356  -0.046
   92    HB3  LEU  13           HB1      LEU  13   1.883 -10.827  -0.684
   93    HG   LEU  13           HG       LEU  13   2.550  -8.531   0.559
   94   HD11  LEU  13          HD11      LEU  13   0.309  -8.137   1.372
   95   HD12  LEU  13          HD12      LEU  13   1.406  -8.466   2.717
   96   HD13  LEU  13          HD13      LEU  13   0.296  -9.716   2.153
   97   HD21  LEU  13          HD21      LEU  13   3.305  -9.952   2.436
   98   HD22  LEU  13          HD22      LEU  13   3.705 -10.626   0.853
   99   HD23  LEU  13          HD23      LEU  13   2.349 -11.281   1.776
  100    H    ASP  14           HN       ASP  14   1.897 -10.326  -3.599
  101    HA   ASP  14           HA       ASP  14   4.634  -9.414  -3.502
  102    HB2  ASP  14           HB2      ASP  14   3.469 -11.683  -4.455
  103    HB3  ASP  14           HB1      ASP  14   3.684 -10.798  -5.947
  104    H    ALA  15           HN       ALA  15   1.716  -8.602  -5.106
  105    HA   ALA  15           HA       ALA  15   2.959  -7.266  -7.341
  106    HB1  ALA  15           HB1      ALA  15   0.707  -6.734  -8.039
  107    HB2  ALA  15           HB2      ALA  15   0.071  -7.213  -6.467
  108    HB3  ALA  15           HB3      ALA  15   0.774  -8.424  -7.538
  109    H    VAL  16           HN       VAL  16   1.598  -6.393  -4.241
  110    HA   VAL  16           HA       VAL  16   1.433  -3.607  -4.740
  111    HB   VAL  16           HB       VAL  16   0.134  -4.511  -2.949
  112   HG11  VAL  16          HG11      VAL  16   1.644  -6.381  -2.372
  113   HG12  VAL  16          HG12      VAL  16   1.075  -5.494  -0.958
  114   HG13  VAL  16          HG13      VAL  16   2.713  -5.234  -1.562
  115   HG21  VAL  16          HG21      VAL  16   0.807  -3.038  -1.089
  116   HG22  VAL  16          HG22      VAL  16   0.837  -2.230  -2.655
  117   HG23  VAL  16          HG23      VAL  16   2.347  -2.751  -1.904
  118    H    MET  17           HN       MET  17   3.924  -5.632  -3.230
  119    HA   MET  17           HA       MET  17   5.474  -3.521  -2.222
  120    HB2  MET  17           HB2      MET  17   6.397  -6.296  -2.997
  121    HB3  MET  17           HB1      MET  17   7.239  -5.181  -1.944
  122    HG2  MET  17           HG2      MET  17   5.286  -5.245  -0.413
  123    HG3  MET  17           HG1      MET  17   4.619  -6.518  -1.428
  124    HE1  MET  17           HE1      MET  17   7.155  -8.170  -2.280
  125    HE2  MET  17           HE2      MET  17   5.678  -8.937  -1.691
  126    HE3  MET  17           HE3      MET  17   7.239  -9.384  -1.003
  127    H    ARG  18           HN       ARG  18   5.332  -4.943  -5.384
  128    HA   ARG  18           HA       ARG  18   7.837  -3.817  -6.213
  129    HB2  ARG  18           HB2      ARG  18   7.270  -4.707  -8.420
  130    HB3  ARG  18           HB1      ARG  18   7.159  -5.925  -7.156
  131    HG2  ARG  18           HG2      ARG  18   4.714  -5.563  -7.111
  132    HG3  ARG  18           HG1      ARG  18   4.900  -4.460  -8.471
  133    HD2  ARG  18           HD2      ARG  18   4.257  -6.594  -9.333
  134    HD3  ARG  18           HD1      ARG  18   5.952  -6.340  -9.723
  135    HE   ARG  18           HE       ARG  18   5.511  -7.805  -7.275
  136   HH11  ARG  18          HH11      ARG  18   5.947  -8.031 -10.753
  137   HH12  ARG  18          HH12      ARG  18   6.463  -9.689 -10.697
  138   HH21  ARG  18          HH21      ARG  18   6.221  -9.990  -7.206
  139   HH22  ARG  18          HH22      ARG  18   6.622 -10.795  -8.706
  140    H    VAL  19           HN       VAL  19   4.516  -2.813  -6.188
  141    HA   VAL  19           HA       VAL  19   5.007  -0.664  -8.069
  142    HB   VAL  19           HB       VAL  19   2.670  -1.244  -6.237
  143   HG11  VAL  19          HG11      VAL  19   1.486   0.542  -7.435
  144   HG12  VAL  19          HG12      VAL  19   2.972   0.933  -8.304
  145   HG13  VAL  19          HG13      VAL  19   2.889   1.162  -6.561
  146   HG21  VAL  19          HG21      VAL  19   3.059  -2.765  -8.172
  147   HG22  VAL  19          HG22      VAL  19   2.871  -1.376  -9.244
  148   HG23  VAL  19          HG23      VAL  19   1.523  -1.904  -8.237
  149    H    VAL  20           HN       VAL  20   4.848  -1.232  -4.649
  150    HA   VAL  20           HA       VAL  20   5.219   1.430  -3.764
  151    HB   VAL  20           HB       VAL  20   5.709  -1.288  -2.529
  152   HG11  VAL  20          HG11      VAL  20   6.330   1.367  -1.227
  153   HG12  VAL  20          HG12      VAL  20   7.506   0.134  -1.676
  154   HG13  VAL  20          HG13      VAL  20   6.317  -0.199  -0.416
  155   HG21  VAL  20          HG21      VAL  20   3.860   1.005  -1.874
  156   HG22  VAL  20          HG22      VAL  20   3.985  -0.484  -0.943
  157   HG23  VAL  20          HG23      VAL  20   3.410  -0.534  -2.609
  158    H    SER  21           HN       SER  21   7.434  -1.099  -4.857
  159    HA   SER  21           HA       SER  21   9.808   0.015  -3.845
  160    HB2  SER  21           HB2      SER  21  10.977  -1.371  -5.498
  161    HB3  SER  21           HB1      SER  21   9.681  -2.302  -4.748
  162    HG   SER  21           HG       SER  21   8.418  -1.694  -6.656
  163    H    GLU  22           HN       GLU  22   8.392   0.296  -7.063
  164    HA   GLU  22           HA       GLU  22  10.174   2.041  -8.242
  165    HB2  GLU  22           HB2      GLU  22   7.186   1.836  -8.645
  166    HB3  GLU  22           HB1      GLU  22   8.296   2.656  -9.743
  167    HG2  GLU  22           HG2      GLU  22   9.468   0.517 -10.097
  168    HG3  GLU  22           HG1      GLU  22   8.270  -0.274  -9.073
  169    H    GLU  23           HN       GLU  23   7.173   2.911  -6.538
  170    HA   GLU  23           HA       GLU  23   7.612   5.694  -7.073
  171    HB2  GLU  23           HB2      GLU  23   5.507   4.311  -5.394
  172    HB3  GLU  23           HB1      GLU  23   5.491   6.017  -5.796
  173    HG2  GLU  23           HG2      GLU  23   5.292   3.712  -7.715
  174    HG3  GLU  23           HG1      GLU  23   4.009   4.837  -7.284
  175    H    SER  24           HN       SER  24   8.355   3.587  -4.405
  176    HA   SER  24           HA       SER  24   8.833   5.826  -2.623
  177    HB2  SER  24           HB2      SER  24   9.572   2.914  -2.250
  178    HB3  SER  24           HB1      SER  24   9.578   4.169  -1.009
  179    HG   SER  24           HG       SER  24   7.376   3.015  -2.351
  180    H    GLY  25           HN       GLY  25  10.615   3.705  -4.771
  181    HA2  GLY  25           HA2      GLY  25  12.581   4.575  -5.882
  182    HA3  GLY  25           HA1      GLY  25  12.944   5.491  -4.427
  183    H    ILE  26           HN       ILE  26  12.006   2.537  -3.353
  184    HA   ILE  26           HA       ILE  26  14.819   1.775  -2.995
  185    HB   ILE  26           HB       ILE  26  12.574   0.578  -1.409
  186   HG12  ILE  26          HG12      ILE  26  13.965   3.141  -0.595
  187   HG13  ILE  26          HG11      ILE  26  12.392   3.120  -1.396
  188   HG21  ILE  26          HG21      ILE  26  14.321   0.420   0.317
  189   HG22  ILE  26          HG22      ILE  26  15.458   1.197  -0.784
  190   HG23  ILE  26          HG23      ILE  26  14.791  -0.386  -1.181
  191   HD11  ILE  26          HD11      ILE  26  12.179   3.341   1.025
  192   HD12  ILE  26          HD12      ILE  26  13.060   1.830   1.245
  193   HD13  ILE  26          HD13      ILE  26  11.478   1.819   0.466
  194    H    ALA  27           HN       ALA  27  15.446  -0.400  -3.161
  195    HA   ALA  27           HA       ALA  27  14.290  -1.884  -5.279
  196    HB1  ALA  27           HB1      ALA  27  16.263  -2.766  -3.169
  197    HB2  ALA  27           HB2      ALA  27  16.673  -1.983  -4.695
  198    HB3  ALA  27           HB3      ALA  27  15.942  -3.588  -4.695
  199    H    LEU  28           HN       LEU  28  13.105  -3.776  -5.262
  200    HA   LEU  28           HA       LEU  28  11.132  -4.048  -3.280
  201    HB2  LEU  28           HB2      LEU  28  10.584  -4.805  -5.435
  202    HB3  LEU  28           HB1      LEU  28  12.049  -5.751  -5.577
  203    HG   LEU  28           HG       LEU  28  11.137  -7.354  -3.911
  204   HD11  LEU  28          HD11      LEU  28   8.718  -7.289  -3.434
  205   HD12  LEU  28          HD12      LEU  28   8.642  -5.685  -4.160
  206   HD13  LEU  28          HD13      LEU  28   9.600  -5.945  -2.704
  207   HD21  LEU  28          HD21      LEU  28   9.507  -8.367  -5.427
  208   HD22  LEU  28          HD22      LEU  28  10.934  -7.787  -6.284
  209   HD23  LEU  28          HD23      LEU  28   9.435  -6.862  -6.344
  210    H    GLU  29           HN       GLU  29  14.218  -5.654  -3.789
  211    HA   GLU  29           HA       GLU  29  13.799  -7.705  -1.846
  212    HB2  GLU  29           HB2      GLU  29  16.439  -6.678  -2.868
  213    HB3  GLU  29           HB1      GLU  29  16.094  -8.257  -2.171
  214    HG2  GLU  29           HG2      GLU  29  14.925  -7.232  -4.738
  215    HG3  GLU  29           HG1      GLU  29  16.320  -8.305  -4.632
  216    H    GLU  30           HN       GLU  30  14.346  -4.421  -1.572
  217    HA   GLU  30           HA       GLU  30  15.589  -4.701   1.089
  218    HB2  GLU  30           HB2      GLU  30  15.675  -2.266  -0.695
  219    HB3  GLU  30           HB1      GLU  30  16.551  -2.515   0.816
  220    HG2  GLU  30           HG2      GLU  30  17.638  -4.501  -0.399
  221    HG3  GLU  30           HG1      GLU  30  17.031  -3.729  -1.865
  222    H    LEU  31           HN       LEU  31  12.693  -4.326  -0.257
  223    HA   LEU  31           HA       LEU  31  11.690  -2.092   1.242
  224    HB2  LEU  31           HB2      LEU  31  10.636  -2.906  -0.861
  225    HB3  LEU  31           HB1      LEU  31  10.169  -4.384  -0.034
  226    HG   LEU  31           HG       LEU  31   8.780  -3.053   1.515
  227   HD11  LEU  31          HD11      LEU  31  10.037  -0.962   1.384
  228   HD12  LEU  31          HD12      LEU  31   8.326  -0.716   1.032
  229   HD13  LEU  31          HD13      LEU  31   9.503  -0.746  -0.282
  230   HD21  LEU  31          HD21      LEU  31   7.035  -2.473  -0.116
  231   HD22  LEU  31          HD22      LEU  31   7.766  -4.043  -0.445
  232   HD23  LEU  31          HD23      LEU  31   8.217  -2.640  -1.413
  233    H    THR  32           HN       THR  32  12.016  -2.277   3.348
  234    HA   THR  32           HA       THR  32  11.393  -4.800   4.691
  235    HB   THR  32           HB       THR  32  12.676  -3.889   6.582
  236    HG1  THR  32           HG1      THR  32  13.814  -1.827   6.153
  237   HG21  THR  32          HG21      THR  32  14.105  -3.644   3.918
  238   HG22  THR  32          HG22      THR  32  14.001  -5.082   4.939
  239   HG23  THR  32          HG23      THR  32  14.915  -3.681   5.486
  240    H    ASP  33           HN       ASP  33  10.185  -4.740   6.711
  241    HA   ASP  33           HA       ASP  33   7.990  -2.849   6.628
  242    HB2  ASP  33           HB2      ASP  33   7.105  -4.179   8.541
  243    HB3  ASP  33           HB1      ASP  33   7.432  -5.142   7.108
  244    H    ASP  34           HN       ASP  34  11.020  -2.873   7.870
  245    HA   ASP  34           HA       ASP  34  10.669  -1.449  10.313
  246    HB2  ASP  34           HB2      ASP  34  12.716  -2.605  10.040
  247    HB3  ASP  34           HB1      ASP  34  12.984  -1.920   8.439
  248    H    SER  35           HN       SER  35  10.588  -0.594   6.996
  249    HA   SER  35           HA       SER  35  11.338   2.172   7.339
  250    HB2  SER  35           HB2      SER  35  10.042   0.784   4.974
  251    HB3  SER  35           HB1      SER  35  10.774   2.390   4.960
  252    HG   SER  35           HG       SER  35  12.093  -0.085   5.447
  253    H    ASN  36           HN       ASN  36  10.042   3.960   6.915
  254    HA   ASN  36           HA       ASN  36   7.171   3.571   7.478
  255    HB2  ASN  36           HB2      ASN  36   8.532   4.419   9.448
  256    HB3  ASN  36           HB1      ASN  36   8.926   5.828   8.484
  257   HD21  ASN  36          HD21      ASN  36   6.549   4.382  10.534
  258   HD22  ASN  36          HD22      ASN  36   5.408   5.664  10.420
  259    H    PHE  37           HN       PHE  37   5.940   4.528   5.905
  260    HA   PHE  37           HA       PHE  37   7.179   5.466   3.585
  261    HB2  PHE  37           HB2      PHE  37   4.351   5.501   4.568
  262    HB3  PHE  37           HB1      PHE  37   4.769   6.401   3.110
  263    HD1  PHE  37           HD1      PHE  37   6.610   4.758   1.664
  264    HD2  PHE  37           HD2      PHE  37   3.272   3.570   4.024
  265    HE1  PHE  37           HE1      PHE  37   6.413   2.688   0.345
  266    HE2  PHE  37           HE2      PHE  37   3.077   1.505   2.717
  267    HZ   PHE  37           HZ       PHE  37   4.754   1.072   0.839
  268    H    ALA  38           HN       ALA  38   5.398   7.337   6.042
  269    HA   ALA  38           HA       ALA  38   5.950   9.823   4.745
  270    HB1  ALA  38           HB1      ALA  38   4.964   9.262   7.530
  271    HB2  ALA  38           HB2      ALA  38   3.962   9.494   6.094
  272    HB3  ALA  38           HB3      ALA  38   4.931  10.829   6.718
  273    H    ASP  39           HN       ASP  39   7.556   7.898   7.140
  274    HA   ASP  39           HA       ASP  39   9.291   9.956   8.101
  275    HB2  ASP  39           HB2      ASP  39   8.788   7.890   9.399
  276    HB3  ASP  39           HB1      ASP  39   9.709   6.964   8.212
  277    H    MET  40           HN       MET  40   9.303   7.779   5.422
  278    HA   MET  40           HA       MET  40  12.134   8.072   4.916
  279    HB2  MET  40           HB2      MET  40   9.915   6.629   3.511
  280    HB3  MET  40           HB1      MET  40  11.499   6.822   2.758
  281    HG2  MET  40           HG2      MET  40  11.088   5.663   5.478
  282    HG3  MET  40           HG1      MET  40  11.147   4.683   4.013
  283    HE1  MET  40           HE1      MET  40  13.159   3.250   5.150
  284    HE2  MET  40           HE2      MET  40  13.008   4.269   6.578
  285    HE3  MET  40           HE3      MET  40  14.590   4.007   5.845
  286    H    GLY  41           HN       GLY  41   9.322   9.806   4.192
  287    HA2  GLY  41           HA2      GLY  41   9.590  12.018   3.204
  288    HA3  GLY  41           HA1      GLY  41  10.819  11.330   2.148
  289    H    ILE  42           HN       ILE  42   8.153   9.273   2.546
  290    HA   ILE  42           HA       ILE  42   7.261   9.605  -0.128
  291    HB   ILE  42           HB       ILE  42   5.998   8.202   2.239
  292   HG12  ILE  42          HG12      ILE  42   8.119   7.298   1.287
  293   HG13  ILE  42          HG11      ILE  42   6.758   6.182   1.190
  294   HG21  ILE  42          HG21      ILE  42   4.149   8.792   0.889
  295   HG22  ILE  42          HG22      ILE  42   4.520   7.106   0.519
  296   HG23  ILE  42          HG23      ILE  42   5.015   8.382  -0.595
  297   HD11  ILE  42          HD11      ILE  42   6.462   6.849  -1.178
  298   HD12  ILE  42          HD12      ILE  42   8.014   6.080  -0.839
  299   HD13  ILE  42          HD13      ILE  42   7.920   7.831  -1.039
  300    H    ASP  43           HN       ASP  43   6.392  11.440  -0.754
  301    HA   ASP  43           HA       ASP  43   4.951  13.174   1.055
  302    HB2  ASP  43           HB2      ASP  43   6.152  13.366  -1.609
  303    HB3  ASP  43           HB1      ASP  43   4.588  14.170  -1.512
  304    H    SER  44           HN       SER  44   2.941  14.240   0.058
  305    HA   SER  44           HA       SER  44   0.804  12.448  -0.028
  306    HB2  SER  44           HB2      SER  44   0.486  14.738   0.606
  307    HB3  SER  44           HB1      SER  44   1.083  15.315  -0.947
  308    H    LEU  45           HN       LEU  45   2.866  13.750  -2.477
  309    HA   LEU  45           HA       LEU  45   1.355  13.256  -4.785
  310    HB2  LEU  45           HB2      LEU  45   3.485  14.638  -4.528
  311    HB3  LEU  45           HB1      LEU  45   4.372  13.127  -4.547
  312    HG   LEU  45           HG       LEU  45   4.352  14.415  -6.701
  313   HD11  LEU  45          HD11      LEU  45   4.884  12.014  -6.622
  314   HD12  LEU  45          HD12      LEU  45   4.090  12.477  -8.127
  315   HD13  LEU  45          HD13      LEU  45   3.178  11.643  -6.867
  316   HD21  LEU  45          HD21      LEU  45   2.363  14.236  -8.117
  317   HD22  LEU  45          HD22      LEU  45   2.063  15.196  -6.669
  318   HD23  LEU  45          HD23      LEU  45   1.473  13.536  -6.767
  319    H    SER  46           HN       SER  46   4.056  11.286  -3.508
  320    HA   SER  46           HA       SER  46   3.637   9.227  -5.403
  321    HB2  SER  46           HB2      SER  46   5.179   9.076  -2.802
  322    HB3  SER  46           HB1      SER  46   5.386   8.042  -4.217
  323    HG   SER  46           HG       SER  46   6.606   9.511  -5.080
  324    H    SER  47           HN       SER  47   2.644   9.637  -2.033
  325    HA   SER  47           HA       SER  47   1.835   6.958  -1.637
  326    HB2  SER  47           HB2      SER  47   0.563   7.889   0.309
  327    HB3  SER  47           HB1      SER  47   2.266   8.348   0.270
  328    HG   SER  47           HG       SER  47   1.736  10.380  -0.190
  329    H    MET  48           HN       MET  48   0.350   9.626  -3.215
  330    HA   MET  48           HA       MET  48  -2.289   8.507  -3.237
  331    HB2  MET  48           HB2      MET  48  -1.814  10.965  -3.376
  332    HB3  MET  48           HB1      MET  48  -1.078  10.708  -4.938
  333    HG2  MET  48           HG2      MET  48  -4.013  10.233  -4.337
  334    HG3  MET  48           HG1      MET  48  -3.344  11.690  -5.043
  335    HE1  MET  48           HE1      MET  48  -5.156  11.406  -6.996
  336    HE2  MET  48           HE2      MET  48  -5.720   9.898  -6.273
  337    HE3  MET  48           HE3      MET  48  -5.294   9.952  -7.984
  338    H    VAL  49           HN       VAL  49   0.438   8.751  -5.396
  339    HA   VAL  49           HA       VAL  49  -0.745   7.637  -7.692
  340    HB   VAL  49           HB       VAL  49   2.134   7.887  -6.777
  341   HG11  VAL  49          HG11      VAL  49   2.826   7.250  -9.039
  342   HG12  VAL  49          HG12      VAL  49   1.156   6.853  -9.442
  343   HG13  VAL  49          HG13      VAL  49   2.014   5.925  -8.209
  344   HG21  VAL  49          HG21      VAL  49   0.994   9.981  -7.379
  345   HG22  VAL  49          HG22      VAL  49   0.579   9.305  -8.955
  346   HG23  VAL  49          HG23      VAL  49   2.265   9.592  -8.537
  347    H    ILE  50           HN       ILE  50   1.241   6.172  -5.122
  348    HA   ILE  50           HA       ILE  50   1.497   3.631  -6.100
  349    HB   ILE  50           HB       ILE  50   1.081   4.403  -3.214
  350   HG12  ILE  50          HG12      ILE  50   3.654   4.039  -4.761
  351   HG13  ILE  50          HG11      ILE  50   2.925   5.601  -4.424
  352   HG21  ILE  50          HG21      ILE  50   2.340   2.358  -2.709
  353   HG22  ILE  50          HG22      ILE  50   2.350   1.953  -4.427
  354   HG23  ILE  50          HG23      ILE  50   0.825   2.016  -3.544
  355   HD11  ILE  50          HD11      ILE  50   4.738   5.102  -2.885
  356   HD12  ILE  50          HD12      ILE  50   3.894   3.645  -2.361
  357   HD13  ILE  50          HD13      ILE  50   3.196   5.232  -2.040
  358    H    GLY  51           HN       GLY  51  -1.099   4.744  -3.897
  359    HA2  GLY  51           HA2      GLY  51  -2.510   2.296  -3.939
  360    HA3  GLY  51           HA1      GLY  51  -3.175   3.847  -3.448
  361    H    SER  52           HN       SER  52  -2.618   5.095  -6.047
  362    HA   SER  52           HA       SER  52  -5.018   4.404  -7.382
  363    HB2  SER  52           HB2      SER  52  -3.449   6.601  -7.491
  364    HB3  SER  52           HB1      SER  52  -2.927   5.789  -8.975
  365    HG   SER  52           HG       SER  52  -4.646   6.774  -9.738
  366    H    ARG  53           HN       ARG  53  -1.634   3.525  -7.933
  367    HA   ARG  53           HA       ARG  53  -2.038   2.256 -10.427
  368    HB2  ARG  53           HB2      ARG  53   0.105   1.645  -8.382
  369    HB3  ARG  53           HB1      ARG  53   0.134   1.201 -10.083
  370    HG2  ARG  53           HG2      ARG  53  -0.071   3.759 -10.466
  371    HG3  ARG  53           HG1      ARG  53   0.524   3.867  -8.811
  372    HD2  ARG  53           HD2      ARG  53   2.542   3.799  -9.840
  373    HD3  ARG  53           HD1      ARG  53   2.215   2.070  -9.788
  374    HE   ARG  53           HE       ARG  53   1.226   3.297 -12.180
  375   HH11  ARG  53          HH11      ARG  53   4.086   1.954 -10.654
  376   HH12  ARG  53          HH12      ARG  53   4.831   1.508 -12.155
  377   HH21  ARG  53          HH21      ARG  53   2.210   2.701 -14.146
  378   HH22  ARG  53          HH22      ARG  53   3.768   1.925 -14.132
  379    H    PHE  54           HN       PHE  54  -2.624   1.244  -7.163
  380    HA   PHE  54           HA       PHE  54  -2.726  -1.550  -7.461
  381    HB2  PHE  54           HB2      PHE  54  -4.410   0.326  -5.778
  382    HB3  PHE  54           HB1      PHE  54  -4.498  -1.420  -5.657
  383    HD1  PHE  54           HD1      PHE  54  -1.154  -0.688  -6.299
  384    HD2  PHE  54           HD2      PHE  54  -4.094  -0.442  -3.227
  385    HE1  PHE  54           HE1      PHE  54   0.625  -0.643  -4.588
  386    HE2  PHE  54           HE2      PHE  54  -2.319  -0.400  -1.526
  387    HZ   PHE  54           HZ       PHE  54   0.040  -0.516  -2.214
  388    H    ARG  55           HN       ARG  55  -5.008   1.003  -8.221
  389    HA   ARG  55           HA       ARG  55  -7.135  -0.779  -8.950
  390    HB2  ARG  55           HB2      ARG  55  -6.802   2.182  -9.454
  391    HB3  ARG  55           HB1      ARG  55  -8.301   1.267  -9.592
  392    HG2  ARG  55           HG2      ARG  55  -8.211   0.782  -7.199
  393    HG3  ARG  55           HG1      ARG  55  -6.719   1.715  -7.069
  394    HD2  ARG  55           HD2      ARG  55  -9.388   2.793  -7.980
  395    HD3  ARG  55           HD1      ARG  55  -8.692   3.008  -6.376
  396    HE   ARG  55           HE       ARG  55  -6.794   3.956  -8.118
  397   HH11  ARG  55          HH11      ARG  55 -10.158   4.694  -7.468
  398   HH12  ARG  55          HH12      ARG  55  -9.980   6.382  -7.841
  399   HH21  ARG  55          HH21      ARG  55  -6.579   6.192  -8.622
  400   HH22  ARG  55          HH22      ARG  55  -7.980   7.219  -8.491
  401    H    GLU  56           HN       GLU  56  -4.444   0.697 -10.525
  402    HA   GLU  56           HA       GLU  56  -5.520   0.533 -13.186
  403    HB2  GLU  56           HB2      GLU  56  -2.693   0.983 -12.222
  404    HB3  GLU  56           HB1      GLU  56  -3.215   1.119 -13.895
  405    HG2  GLU  56           HG2      GLU  56  -4.769   2.926 -13.193
  406    HG3  GLU  56           HG1      GLU  56  -4.062   2.840 -11.578
  407    H    ASP  57           HN       ASP  57  -2.785  -1.104 -11.593
  408    HA   ASP  57           HA       ASP  57  -2.718  -3.064 -13.747
  409    HB2  ASP  57           HB2      ASP  57  -0.607  -2.140 -12.926
  410    HB3  ASP  57           HB1      ASP  57  -0.952  -2.746 -11.312
  411    H    LEU  58           HN       LEU  58  -3.038  -3.105 -10.211
  412    HA   LEU  58           HA       LEU  58  -3.239  -5.947 -10.110
  413    HB2  LEU  58           HB2      LEU  58  -3.592  -3.768  -8.061
  414    HB3  LEU  58           HB1      LEU  58  -3.929  -5.443  -7.675
  415    HG   LEU  58           HG       LEU  58  -1.602  -6.045  -8.153
  416   HD11  LEU  58          HD11      LEU  58  -1.147  -4.349  -9.861
  417   HD12  LEU  58          HD12      LEU  58   0.074  -4.353  -8.590
  418   HD13  LEU  58          HD13      LEU  58  -1.167  -3.101  -8.615
  419   HD21  LEU  58          HD21      LEU  58  -2.243  -5.371  -5.893
  420   HD22  LEU  58          HD22      LEU  58  -1.833  -3.698  -6.279
  421   HD23  LEU  58          HD23      LEU  58  -0.574  -4.934  -6.261
  422    H    GLY  59           HN       GLY  59  -5.509  -3.354 -10.366
  423    HA2  GLY  59           HA2      GLY  59  -7.776  -3.423 -10.799
  424    HA3  GLY  59           HA1      GLY  59  -7.674  -5.180 -10.796
  425    H    LEU  60           HN       LEU  60  -6.535  -3.221  -8.147
  426    HA   LEU  60           HA       LEU  60  -8.332  -4.546  -6.317
  427    HB2  LEU  60           HB2      LEU  60  -6.331  -2.346  -5.822
  428    HB3  LEU  60           HB1      LEU  60  -7.167  -3.255  -4.585
  429    HG   LEU  60           HG       LEU  60  -5.132  -4.347  -6.524
  430   HD11  LEU  60          HD11      LEU  60  -3.779  -4.688  -4.503
  431   HD12  LEU  60          HD12      LEU  60  -5.027  -3.887  -3.548
  432   HD13  LEU  60          HD13      LEU  60  -4.147  -2.984  -4.781
  433   HD21  LEU  60          HD21      LEU  60  -5.337  -6.453  -5.367
  434   HD22  LEU  60          HD22      LEU  60  -6.917  -5.976  -5.997
  435   HD23  LEU  60          HD23      LEU  60  -6.553  -5.775  -4.283
  436    H    ASP  61           HN       ASP  61 -10.385  -3.819  -6.037
  437    HA   ASP  61           HA       ASP  61 -10.980  -1.034  -6.635
  438    HB2  ASP  61           HB2      ASP  61 -12.468  -2.926  -7.434
  439    HB3  ASP  61           HB1      ASP  61 -12.930  -3.170  -5.750
  440    H    LEU  62           HN       LEU  62  -9.690  -0.300  -4.874
  441    HA   LEU  62           HA       LEU  62 -10.492  -0.875  -2.152
  442    HB2  LEU  62           HB2      LEU  62  -8.593   1.221  -3.208
  443    HB3  LEU  62           HB1      LEU  62  -8.730   0.700  -1.541
  444    HG   LEU  62           HG       LEU  62  -7.855  -1.120  -3.784
  445   HD11  LEU  62          HD11      LEU  62  -5.576  -0.771  -2.986
  446   HD12  LEU  62          HD12      LEU  62  -6.157   0.432  -1.834
  447   HD13  LEU  62          HD13      LEU  62  -6.283   0.737  -3.566
  448   HD21  LEU  62          HD21      LEU  62  -8.730  -2.245  -1.796
  449   HD22  LEU  62          HD22      LEU  62  -7.592  -1.348  -0.791
  450   HD23  LEU  62          HD23      LEU  62  -6.994  -2.502  -1.983
  451    H    GLY  63           HN       GLY  63 -10.107   2.122  -3.973
  452    HA2  GLY  63           HA2      GLY  63 -12.580   3.222  -3.817
  453    HA3  GLY  63           HA1      GLY  63 -11.850   3.605  -2.262
  454    HA   PRO  64           HA       PRO  64 -10.335   6.488  -5.665
  455    HB2  PRO  64           HB2      PRO  64 -12.031   8.560  -5.528
  456    HB3  PRO  64           HB1      PRO  64 -12.425   7.091  -6.441
  457    HG2  PRO  64           HG2      PRO  64 -13.358   7.949  -3.745
  458    HG3  PRO  64           HG1      PRO  64 -14.262   7.144  -5.035
  459    HD2  PRO  64           HD2      PRO  64 -13.157   5.886  -2.815
  460    HD3  PRO  64           HD1      PRO  64 -13.623   5.078  -4.323
  461    H    GLU  65           HN       GLU  65 -10.887   6.665  -2.361
  462    HA   GLU  65           HA       GLU  65  -9.369   9.183  -2.099
  463    HB2  GLU  65           HB2      GLU  65 -11.802   9.137  -1.340
  464    HB3  GLU  65           HB1      GLU  65 -11.295   8.022  -0.077
  465    HG2  GLU  65           HG2      GLU  65  -9.774   9.751   0.806
  466    HG3  GLU  65           HG1      GLU  65 -10.359  10.868  -0.431
  467    H    PHE  66           HN       PHE  66  -8.496   6.293  -2.248
  468    HA   PHE  66           HA       PHE  66  -7.590   5.633   0.412
  469    HB2  PHE  66           HB2      PHE  66  -8.198   3.862  -1.211
  470    HB3  PHE  66           HB1      PHE  66  -6.907   4.399  -2.278
  471    HD1  PHE  66           HD2      PHE  66  -7.623   2.830   0.989
  472    HD2  PHE  66           HD1      PHE  66  -4.707   3.686  -1.987
  473    HE1  PHE  66           HE2      PHE  66  -6.063   1.276   2.073
  474    HE2  PHE  66           HE1      PHE  66  -3.149   2.125  -0.913
  475    HZ   PHE  66           HZ       PHE  66  -3.821   0.914   1.119
  476    H    SER  67           HN       SER  67  -5.999   6.696   1.320
  477    HA   SER  67           HA       SER  67  -3.717   7.574  -0.325
  478    HB2  SER  67           HB2      SER  67  -5.013   8.987   2.017
  479    HB3  SER  67           HB1      SER  67  -3.517   9.510   1.240
  480    HG   SER  67           HG       SER  67  -5.737   9.083  -0.388
  481    H    LEU  68           HN       LEU  68  -1.936   6.508   0.196
  482    HA   LEU  68           HA       LEU  68  -1.632   4.937   2.512
  483    HB2  LEU  68           HB2      LEU  68   0.477   6.068   0.681
  484    HB3  LEU  68           HB1      LEU  68   0.760   4.832   1.889
  485    HG   LEU  68           HG       LEU  68  -0.876   4.611  -0.625
  486   HD11  LEU  68          HD11      LEU  68   1.427   4.311  -1.046
  487   HD12  LEU  68          HD12      LEU  68   0.719   2.696  -0.967
  488   HD13  LEU  68          HD13      LEU  68   1.636   3.326   0.402
  489   HD21  LEU  68          HD21      LEU  68  -0.615   2.631   1.630
  490   HD22  LEU  68          HD22      LEU  68  -1.384   2.330   0.070
  491   HD23  LEU  68          HD23      LEU  68  -2.074   3.514   1.181
  492    H    PHE  69           HN       PHE  69  -0.882   8.249   1.781
  493    HA   PHE  69           HA       PHE  69   1.029   8.781   3.746
  494    HB2  PHE  69           HB2      PHE  69   0.324  10.228   1.769
  495    HB3  PHE  69           HB1      PHE  69  -1.042  10.751   2.746
  496    HD1  PHE  69           HD1      PHE  69   2.659  10.666   2.624
  497    HD2  PHE  69           HD2      PHE  69  -0.802  12.500   4.291
  498    HE1  PHE  69           HE1      PHE  69   4.066  12.433   3.583
  499    HE2  PHE  69           HE2      PHE  69   0.609  14.268   5.271
  500    HZ   PHE  69           HZ       PHE  69   3.048  14.238   4.916
  501    H    ILE  70           HN       ILE  70  -2.297   8.087   4.086
  502    HA   ILE  70           HA       ILE  70  -2.271   9.229   6.806
  503    HB   ILE  70           HB       ILE  70  -4.678   9.055   4.956
  504   HG12  ILE  70          HG12      ILE  70  -3.217  11.419   6.163
  505   HG13  ILE  70          HG11      ILE  70  -3.179  10.943   4.471
  506   HG21  ILE  70          HG21      ILE  70  -4.564  10.023   7.815
  507   HG22  ILE  70          HG22      ILE  70  -5.286   8.510   7.267
  508   HG23  ILE  70          HG23      ILE  70  -5.969  10.049   6.748
  509   HD11  ILE  70          HD11      ILE  70  -5.586  11.932   5.985
  510   HD12  ILE  70          HD12      ILE  70  -5.590  11.386   4.309
  511   HD13  ILE  70          HD13      ILE  70  -4.663  12.815   4.766
  512    H    ASP  71           HN       ASP  71  -3.371   6.541   4.743
  513    HA   ASP  71           HA       ASP  71  -4.266   5.198   7.207
  514    HB2  ASP  71           HB2      ASP  71  -5.620   5.518   4.823
  515    HB3  ASP  71           HB1      ASP  71  -5.039   3.854   4.738
  516    H    CYS  72           HN       CYS  72  -1.523   5.284   5.568
  517    HA   CYS  72           HA       CYS  72  -0.811   2.614   6.429
  518    HB2  CYS  72           HB2      CYS  72  -0.447   3.484   3.550
  519    HB3  CYS  72           HB1      CYS  72   0.327   2.076   4.267
  520    HG   CYS  72           HG       CYS  72  -2.874   1.837   4.856
  521    H    THR  73           HN       THR  73   0.449   3.620   7.942
  522    HA   THR  73           HA       THR  73   2.179   5.829   7.248
  523    HB   THR  73           HB       THR  73   2.885   5.542   9.694
  524    HG1  THR  73           HG1      THR  73   1.220   4.253  10.868
  525   HG21  THR  73          HG21      THR  73   0.727   6.455  10.542
  526   HG22  THR  73          HG22      THR  73  -0.024   6.030   9.004
  527   HG23  THR  73          HG23      THR  73   1.263   7.231   9.051
  528    H    THR  74           HN       THR  74   2.829   2.633   8.740
  529    HA   THR  74           HA       THR  74   5.535   2.716   7.695
  530    HB   THR  74           HB       THR  74   5.842   0.550   8.817
  531    HG1  THR  74           HG1      THR  74   4.024  -0.174  10.176
  532   HG21  THR  74          HG21      THR  74   5.484   1.305  11.145
  533   HG22  THR  74          HG22      THR  74   4.521   2.651  10.535
  534   HG23  THR  74          HG23      THR  74   6.236   2.535  10.132
  535    H    VAL  75           HN       VAL  75   6.179   0.306   6.789
  536    HA   VAL  75           HA       VAL  75   4.716   0.147   4.305
  537    HB   VAL  75           HB       VAL  75   6.714  -1.938   4.856
  538   HG11  VAL  75          HG11      VAL  75   6.323   0.046   2.626
  539   HG12  VAL  75          HG12      VAL  75   5.780  -1.633   2.647
  540   HG13  VAL  75          HG13      VAL  75   7.505  -1.260   2.631
  541   HG21  VAL  75          HG21      VAL  75   7.475   0.968   4.809
  542   HG22  VAL  75          HG22      VAL  75   8.605  -0.361   4.548
  543   HG23  VAL  75          HG23      VAL  75   7.773  -0.205   6.095
  544    H    ARG  76           HN       ARG  76   5.356  -1.917   7.082
  545    HA   ARG  76           HA       ARG  76   3.908  -4.169   6.302
  546    HB2  ARG  76           HB2      ARG  76   5.456  -4.142   8.199
  547    HB3  ARG  76           HB1      ARG  76   4.367  -3.078   9.085
  548    HG2  ARG  76           HG2      ARG  76   3.868  -5.150   9.965
  549    HG3  ARG  76           HG1      ARG  76   2.640  -4.937   8.719
  550    HD2  ARG  76           HD2      ARG  76   3.449  -7.169   8.564
  551    HD3  ARG  76           HD1      ARG  76   4.063  -6.278   7.174
  552    HE   ARG  76           HE       ARG  76   6.154  -6.049   8.670
  553   HH11  ARG  76          HH11      ARG  76   4.022  -8.829   8.595
  554   HH12  ARG  76          HH12      ARG  76   5.277  -9.947   9.061
  555   HH21  ARG  76          HH21      ARG  76   7.800  -7.520   9.266
  556   HH22  ARG  76          HH22      ARG  76   7.421  -9.218   9.388
  557    H    ALA  77           HN       ALA  77   2.875  -1.097   7.613
  558    HA   ALA  77           HA       ALA  77   0.284  -1.764   8.427
  559    HB1  ALA  77           HB1      ALA  77  -0.248   0.619   8.118
  560    HB2  ALA  77           HB2      ALA  77   1.278   0.835   7.262
  561    HB3  ALA  77           HB3      ALA  77   1.280   0.382   8.966
  562    H    LEU  78           HN       LEU  78   1.583  -1.038   5.236
  563    HA   LEU  78           HA       LEU  78  -0.942  -0.978   3.897
  564    HB2  LEU  78           HB2      LEU  78   1.598  -0.280   3.247
  565    HB3  LEU  78           HB1      LEU  78   1.470  -1.808   2.413
  566    HG   LEU  78           HG       LEU  78  -0.502   0.429   2.024
  567   HD11  LEU  78          HD11      LEU  78   1.627   1.314   1.441
  568   HD12  LEU  78          HD12      LEU  78   0.810   0.876  -0.062
  569   HD13  LEU  78          HD13      LEU  78   2.077  -0.162   0.597
  570   HD21  LEU  78          HD21      LEU  78  -1.293  -1.740   1.271
  571   HD22  LEU  78          HD22      LEU  78   0.193  -1.990   0.357
  572   HD23  LEU  78          HD23      LEU  78  -0.928  -0.713  -0.114
  573    H    LYS  79           HN       LYS  79   1.619  -3.342   4.348
  574    HA   LYS  79           HA       LYS  79   0.703  -5.501   2.913
  575    HB2  LYS  79           HB2      LYS  79   1.962  -5.706   5.653
  576    HB3  LYS  79           HB1      LYS  79   2.007  -6.907   4.357
  577    HG2  LYS  79           HG2      LYS  79   3.186  -4.153   3.990
  578    HG3  LYS  79           HG1      LYS  79   4.134  -5.422   4.777
  579    HD2  LYS  79           HD2      LYS  79   3.796  -6.834   2.767
  580    HD3  LYS  79           HD1      LYS  79   2.923  -5.505   2.001
  581    HE2  LYS  79           HE2      LYS  79   5.177  -5.471   1.192
  582    HE3  LYS  79           HE1      LYS  79   4.963  -4.097   2.283
  583    HZ1  LYS  79           HZ1      LYS  79   7.071  -5.454   2.545
  584    HZ2  LYS  79           HZ2      LYS  79   6.103  -6.677   3.215
  585    HZ3  LYS  79           HZ3      LYS  79   6.185  -5.159   3.954
  586    H    ASP  80           HN       ASP  80   0.145  -4.973   6.385
  587    HA   ASP  80           HA       ASP  80  -1.675  -7.123   6.627
  588    HB2  ASP  80           HB2      ASP  80  -0.921  -4.840   8.426
  589    HB3  ASP  80           HB1      ASP  80  -2.216  -5.951   8.862
  590    H    PHE  81           HN       PHE  81  -2.075  -3.815   5.728
  591    HA   PHE  81           HA       PHE  81  -4.799  -3.509   6.387
  592    HB2  PHE  81           HB2      PHE  81  -3.208  -1.657   5.753
  593    HB3  PHE  81           HB1      PHE  81  -3.368  -2.178   4.079
  594    HD1  PHE  81           HD1      PHE  81  -5.099  -0.661   6.938
  595    HD2  PHE  81           HD2      PHE  81  -5.340  -1.691   2.814
  596    HE1  PHE  81           HE1      PHE  81  -7.098   0.755   6.709
  597    HE2  PHE  81           HE2      PHE  81  -7.339  -0.276   2.578
  598    HZ   PHE  81           HZ       PHE  81  -8.216   0.951   4.524
  599    H    MET  82           HN       MET  82  -3.139  -4.815   3.597
  600    HA   MET  82           HA       MET  82  -5.320  -5.043   1.847
  601    HB2  MET  82           HB2      MET  82  -2.940  -6.872   2.013
  602    HB3  MET  82           HB1      MET  82  -3.972  -6.607   0.616
  603    HG2  MET  82           HG2      MET  82  -3.236  -4.256   0.546
  604    HG3  MET  82           HG1      MET  82  -2.139  -4.590   1.890
  605    HE1  MET  82           HE1      MET  82  -1.217  -4.947  -2.417
  606    HE2  MET  82           HE2      MET  82  -1.872  -3.643  -1.423
  607    HE3  MET  82           HE3      MET  82  -2.900  -5.008  -1.885
  608    H    LEU  83           HN       LEU  83  -4.030  -7.301   4.242
  609    HA   LEU  83           HA       LEU  83  -5.916  -9.366   3.640
  610    HB2  LEU  83           HB2      LEU  83  -4.066  -8.932   5.995
  611    HB3  LEU  83           HB1      LEU  83  -5.095 -10.338   5.840
  612    HG   LEU  83           HG       LEU  83  -3.888 -10.854   3.680
  613   HD11  LEU  83          HD11      LEU  83  -1.714  -9.868   3.305
  614   HD12  LEU  83          HD12      LEU  83  -1.957  -8.773   4.667
  615   HD13  LEU  83          HD13      LEU  83  -2.983  -8.646   3.238
  616   HD21  LEU  83          HD21      LEU  83  -3.381 -12.061   5.744
  617   HD22  LEU  83          HD22      LEU  83  -2.231 -10.804   6.205
  618   HD23  LEU  83          HD23      LEU  83  -1.924 -11.807   4.786
  619    H    GLY  84           HN       GLY  84  -6.044  -6.475   5.463
  620    HA2  GLY  84           HA2      GLY  84  -7.914  -7.244   7.472
  621    HA3  GLY  84           HA1      GLY  84  -7.625  -5.597   6.922
  622    H    SER  85           HN       SER  85  -9.621  -8.407   6.642
  623    HA   SER  85           HA       SER  85 -11.262  -7.089   4.615
  624    HB2  SER  85           HB2      SER  85 -10.418  -9.480   4.305
  625    HB3  SER  85           HB1      SER  85 -11.540  -9.932   5.579
  626    HG   SER  85           HG       SER  85 -12.065  -9.062   2.966
  627    H    GLY  86           HN       GLY  86 -11.008  -6.841   7.640
  628    HA2  GLY  86           HA2      GLY  86 -13.392  -5.789   8.343
  629    HA3  GLY  86           HA1      GLY  86 -13.643  -7.509   8.616
  630    H    ASP  87           HN       ASP  87 -13.526  -5.228  10.498
  631    HA   ASP  87           HA       ASP  87 -11.820  -6.514  12.452
  632    HB2  ASP  87           HB2      ASP  87 -10.343  -4.827  11.288
  633    HB3  ASP  87           HB1      ASP  87 -11.427  -3.568  11.866
  634    H    ALA  88           HN       ALA  88 -12.947  -3.189  12.484
  635    HA   ALA  88           HA       ALA  88 -14.678  -2.114  13.445
  636    HB1  ALA  88           HB1      ALA  88 -15.949  -4.826  13.773
  637    HB2  ALA  88           HB2      ALA  88 -16.142  -3.755  12.385
  638    HB3  ALA  88           HB3      ALA  88 -16.748  -3.266  13.967
  639    H    GLY  89           HN       GLY  89 -15.131  -1.329  15.414
  640    HA2  GLY  89           HA2      GLY  89 -15.354  -2.639  17.821
  641    HA3  GLY  89           HA1      GLY  89 -13.638  -2.294  17.642
  642   H282  PNS  90          H28A      PNS  44   0.326  14.816  -4.411
  643   H281  PNS  90          H28B      PNS  44  -0.734  13.928  -3.323
  644   H303  PNS  90          H30A      PNS  44  -1.106  12.934  -5.704
  645   H302  PNS  90          H30B      PNS  44  -0.371  14.307  -6.532
  646   H301  PNS  90          H30C      PNS  44  -2.049  13.874  -6.862
  647   H313  PNS  90          H31A      PNS  44  -3.823  14.351  -5.153
  648   H312  PNS  90          H31B      PNS  44  -3.351  14.963  -3.565
  649   H311  PNS  90          H31C      PNS  44  -2.922  13.319  -4.041
  650    H32  PNS  90          H32A      PNS  44  -2.533  16.840  -4.798
  651    H33  PNS  90          H33A      PNS  44  -0.258  17.027  -4.785
  652    H36  PNS  90          H36A      PNS  44  -1.323  17.605  -7.533
  653   H372  PNS  90          H37A      PNS  44  -2.817  16.262  -9.557
  654   H371  PNS  90          H37B      PNS  44  -3.579  17.780  -9.084
  655   H382  PNS  90          H38A      PNS  44  -2.178  18.181 -10.972
  656   H381  PNS  90          H38B      PNS  44  -1.451  18.946  -9.562
  657    H41  PNS  90          H41A      PNS  44   0.477  18.985 -10.762
  658   H422  PNS  90          H42A      PNS  44   2.187  16.702 -10.297
  659   H421  PNS  90          H42B      PNS  44   1.961  17.123 -11.997
  660   H431  PNS  90          H43A      PNS  44   2.810  19.350 -11.591
  661   H432  PNS  90          H43B      PNS  44   3.975  18.146 -11.041
  662    H44  PNS  90           H1       PNS  44   3.982  20.337  -9.284
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1 -20.479  -4.516  14.022
    2    H2   ALA   1           HT2      ALA   1 -19.926  -4.399  12.425
    3    H3   ALA   1           HT3      ALA   1 -18.865  -4.122  13.713
    4    HA   ALA   1           HA       ALA   1 -19.169  -6.435  14.437
    5    HB1  ALA   1           HB1      ALA   1 -20.183  -8.016  12.879
    6    HB2  ALA   1           HB2      ALA   1 -20.617  -6.688  11.804
    7    HB3  ALA   1           HB3      ALA   1 -21.348  -6.802  13.404
    8    H    MET   2           HN       MET   2 -18.892  -5.891  10.904
    9    HA   MET   2           HA       MET   2 -16.224  -7.069  11.046
   10    HB2  MET   2           HB2      MET   2 -17.825  -6.269   8.606
   11    HB3  MET   2           HB1      MET   2 -16.322  -7.183   8.609
   12    HG2  MET   2           HG2      MET   2 -18.999  -8.066   9.658
   13    HG3  MET   2           HG1      MET   2 -18.139  -8.687   8.250
   14    HE1  MET   2           HE1      MET   2 -15.196  -8.956   9.185
   15    HE2  MET   2           HE2      MET   2 -16.008 -10.305   8.392
   16    HE3  MET   2           HE3      MET   2 -15.122 -10.566   9.895
   17    H    ALA   3           HN       ALA   3 -14.367  -5.967  10.233
   18    HA   ALA   3           HA       ALA   3 -14.535  -3.110  10.682
   19    HB1  ALA   3           HB1      ALA   3 -12.100  -3.180  10.772
   20    HB2  ALA   3           HB2      ALA   3 -12.133  -4.870  10.270
   21    HB3  ALA   3           HB3      ALA   3 -12.805  -4.402  11.832
   22    H    LYS   4           HN       LYS   4 -14.490  -5.210   8.138
   23    HA   LYS   4           HA       LYS   4 -14.458  -5.029   5.887
   24    HB2  LYS   4           HB2      LYS   4 -15.814  -3.033   6.093
   25    HB3  LYS   4           HB1      LYS   4 -14.386  -2.057   6.417
   26    HG2  LYS   4           HG2      LYS   4 -13.566  -2.434   4.184
   27    HG3  LYS   4           HG1      LYS   4 -14.889  -3.549   3.850
   28    HD2  LYS   4           HD2      LYS   4 -16.498  -1.718   4.109
   29    HD3  LYS   4           HD1      LYS   4 -15.170  -0.604   4.455
   30    HE2  LYS   4           HE2      LYS   4 -14.267  -0.916   2.241
   31    HE3  LYS   4           HE1      LYS   4 -15.448  -2.178   1.893
   32    HZ1  LYS   4           HZ1      LYS   4 -17.207  -0.501   2.121
   33    HZ2  LYS   4           HZ2      LYS   4 -16.129  -0.136   0.866
   34    HZ3  LYS   4           HZ3      LYS   4 -16.031   0.705   2.339
   35    H    GLY   5           HN       GLY   5 -12.773  -5.792   4.895
   36    HA2  GLY   5           HA2      GLY   5 -10.335  -4.170   4.742
   37    HA3  GLY   5           HA1      GLY   5 -10.209  -5.844   5.276
   38    H    VAL   6           HN       VAL   6  -8.783  -5.276   3.115
   39    HA   VAL   6           HA       VAL   6 -10.252  -5.611   0.670
   40    HB   VAL   6           HB       VAL   6  -7.286  -5.933   1.120
   41   HG11  VAL   6          HG11      VAL   6  -7.106  -5.485  -1.277
   42   HG12  VAL   6          HG12      VAL   6  -8.860  -5.363  -1.390
   43   HG13  VAL   6          HG13      VAL   6  -8.109  -6.904  -0.980
   44   HG21  VAL   6          HG21      VAL   6  -8.824  -3.484   0.268
   45   HG22  VAL   6          HG22      VAL   6  -7.069  -3.616   0.399
   46   HG23  VAL   6          HG23      VAL   6  -8.074  -3.723   1.844
   47    H    GLY   7           HN       GLY   7  -7.644  -7.656   1.990
   48    HA2  GLY   7           HA2      GLY   7  -7.764  -9.975   2.411
   49    HA3  GLY   7           HA1      GLY   7  -9.317 -10.022   1.585
   50    H    VAL   8           HN       VAL   8  -5.844  -9.941   1.164
   51    HA   VAL   8           HA       VAL   8  -6.208 -10.483  -1.706
   52    HB   VAL   8           HB       VAL   8  -4.105  -9.487  -2.188
   53   HG11  VAL   8          HG11      VAL   8  -4.321  -7.228  -1.380
   54   HG12  VAL   8          HG12      VAL   8  -5.399  -7.769  -0.093
   55   HG13  VAL   8          HG13      VAL   8  -5.904  -7.898  -1.777
   56   HG21  VAL   8          HG21      VAL   8  -2.497  -8.765  -0.532
   57   HG22  VAL   8          HG22      VAL   8  -2.840 -10.478  -0.323
   58   HG23  VAL   8          HG23      VAL   8  -3.557  -9.293   0.774
   59    H    SER   9           HN       SER   9  -4.704 -11.984  -2.701
   60    HA   SER   9           HA       SER   9  -4.050 -14.225  -1.017
   61    HB2  SER   9           HB2      SER   9  -3.273 -13.861  -3.912
   62    HB3  SER   9           HB1      SER   9  -3.551 -15.368  -3.040
   63    HG   SER   9           HG       SER   9  -5.279 -14.458  -4.513
   64    H    ASN  10           HN       ASN  10  -1.733 -15.218  -1.528
   65    HA   ASN  10           HA       ASN  10   0.137 -13.420  -0.357
   66    HB2  ASN  10           HB2      ASN  10   0.154 -15.912  -0.044
   67    HB3  ASN  10           HB1      ASN  10   0.701 -16.080  -1.709
   68   HD21  ASN  10          HD21      ASN  10   1.549 -15.133   1.509
   69   HD22  ASN  10          HD22      ASN  10   3.256 -15.021   1.240
   70    H    GLU  11           HN       GLU  11  -0.435 -14.625  -3.588
   71    HA   GLU  11           HA       GLU  11   1.686 -13.512  -5.001
   72    HB2  GLU  11           HB2      GLU  11   0.164 -15.011  -6.077
   73    HB3  GLU  11           HB1      GLU  11  -1.210 -13.984  -5.710
   74    HG2  GLU  11           HG2      GLU  11   0.150 -12.258  -7.171
   75    HG3  GLU  11           HG1      GLU  11   0.823 -13.741  -7.847
   76    H    LYS  12           HN       LYS  12  -1.332 -12.061  -3.944
   77    HA   LYS  12           HA       LYS  12  -1.015  -9.643  -5.402
   78    HB2  LYS  12           HB2      LYS  12  -2.714 -10.273  -2.982
   79    HB3  LYS  12           HB1      LYS  12  -2.857  -8.817  -3.956
   80    HG2  LYS  12           HG2      LYS  12  -3.291 -11.630  -4.965
   81    HG3  LYS  12           HG1      LYS  12  -4.578 -10.512  -4.510
   82    HD2  LYS  12           HD2      LYS  12  -3.660  -8.934  -6.255
   83    HD3  LYS  12           HD1      LYS  12  -2.599 -10.244  -6.777
   84    HE2  LYS  12           HE2      LYS  12  -5.593 -10.515  -6.632
   85    HE3  LYS  12           HE1      LYS  12  -4.760  -9.945  -8.074
   86    HZ1  LYS  12           HZ1      LYS  12  -3.486 -12.068  -8.046
   87    HZ2  LYS  12           HZ2      LYS  12  -5.157 -12.261  -8.298
   88    HZ3  LYS  12           HZ3      LYS  12  -4.491 -12.607  -6.785
   89    H    LEU  13           HN       LEU  13   0.129 -10.770  -2.336
   90    HA   LEU  13           HA       LEU  13   0.993  -8.242  -1.343
   91    HB2  LEU  13           HB2      LEU  13   0.737 -10.344   0.009
   92    HB3  LEU  13           HB1      LEU  13   2.203 -10.948  -0.726
   93    HG   LEU  13           HG       LEU  13   3.458  -9.083   0.237
   94   HD11  LEU  13          HD11      LEU  13   1.725  -7.397   0.301
   95   HD12  LEU  13          HD12      LEU  13   2.394  -7.634   1.918
   96   HD13  LEU  13          HD13      LEU  13   0.829  -8.333   1.499
   97   HD21  LEU  13          HD21      LEU  13   3.299 -11.157   1.482
   98   HD22  LEU  13          HD22      LEU  13   1.810 -10.599   2.245
   99   HD23  LEU  13          HD23      LEU  13   3.333  -9.774   2.579
  100    H    ASP  14           HN       ASP  14   2.340 -10.500  -3.656
  101    HA   ASP  14           HA       ASP  14   4.974  -9.316  -3.623
  102    HB2  ASP  14           HB2      ASP  14   3.989 -11.670  -4.601
  103    HB3  ASP  14           HB1      ASP  14   4.111 -10.744  -6.075
  104    H    ALA  15           HN       ALA  15   1.957  -8.821  -5.226
  105    HA   ALA  15           HA       ALA  15   3.009  -7.314  -7.422
  106    HB1  ALA  15           HB1      ALA  15   0.681  -6.918  -8.006
  107    HB2  ALA  15           HB2      ALA  15   0.163  -7.536  -6.437
  108    HB3  ALA  15           HB3      ALA  15   0.925  -8.617  -7.604
  109    H    VAL  16           HN       VAL  16   1.649  -6.614  -4.264
  110    HA   VAL  16           HA       VAL  16   1.425  -3.821  -4.680
  111    HB   VAL  16           HB       VAL  16   0.090  -4.744  -2.952
  112   HG11  VAL  16          HG11      VAL  16   2.642  -5.665  -1.640
  113   HG12  VAL  16          HG12      VAL  16   1.410  -6.690  -2.379
  114   HG13  VAL  16          HG13      VAL  16   1.033  -5.767  -0.921
  115   HG21  VAL  16          HG21      VAL  16   2.322  -3.105  -1.755
  116   HG22  VAL  16          HG22      VAL  16   0.731  -3.347  -1.028
  117   HG23  VAL  16          HG23      VAL  16   0.879  -2.480  -2.558
  118    H    MET  17           HN       MET  17   3.932  -5.841  -3.201
  119    HA   MET  17           HA       MET  17   5.481  -3.740  -2.186
  120    HB2  MET  17           HB2      MET  17   6.392  -6.478  -3.122
  121    HB3  MET  17           HB1      MET  17   7.363  -5.355  -2.201
  122    HG2  MET  17           HG2      MET  17   5.721  -5.470  -0.369
  123    HG3  MET  17           HG1      MET  17   4.840  -6.678  -1.296
  124    HE1  MET  17           HE1      MET  17   4.959  -8.377   0.745
  125    HE2  MET  17           HE2      MET  17   5.832  -7.175   1.701
  126    HE3  MET  17           HE3      MET  17   6.460  -8.818   1.560
  127    H    ARG  18           HN       ARG  18   5.313  -5.146  -5.403
  128    HA   ARG  18           HA       ARG  18   7.721  -3.945  -6.306
  129    HB2  ARG  18           HB2      ARG  18   7.210  -4.755  -8.457
  130    HB3  ARG  18           HB1      ARG  18   6.666  -5.980  -7.325
  131    HG2  ARG  18           HG2      ARG  18   4.375  -5.124  -7.555
  132    HG3  ARG  18           HG1      ARG  18   4.952  -3.975  -8.763
  133    HD2  ARG  18           HD2      ARG  18   5.777  -5.870 -10.109
  134    HD3  ARG  18           HD1      ARG  18   5.078  -6.972  -8.927
  135    HE   ARG  18           HE       ARG  18   3.109  -5.174  -9.872
  136   HH11  ARG  18          HH11      ARG  18   4.952  -7.988 -10.804
  137   HH12  ARG  18          HH12      ARG  18   3.794  -8.526 -11.984
  138   HH21  ARG  18          HH21      ARG  18   1.565  -5.844 -11.446
  139   HH22  ARG  18          HH22      ARG  18   1.881  -7.296 -12.365
  140    H    VAL  19           HN       VAL  19   4.374  -2.913  -6.178
  141    HA   VAL  19           HA       VAL  19   4.769  -0.687  -7.971
  142    HB   VAL  19           HB       VAL  19   2.516  -1.387  -6.065
  143   HG11  VAL  19          HG11      VAL  19   1.218   0.403  -7.031
  144   HG12  VAL  19          HG12      VAL  19   2.555   0.866  -8.072
  145   HG13  VAL  19          HG13      VAL  19   2.689   1.068  -6.324
  146   HG21  VAL  19          HG21      VAL  19   1.285  -1.941  -8.058
  147   HG22  VAL  19          HG22      VAL  19   2.818  -2.811  -8.069
  148   HG23  VAL  19          HG23      VAL  19   2.608  -1.382  -9.078
  149    H    VAL  20           HN       VAL  20   4.796  -1.348  -4.569
  150    HA   VAL  20           HA       VAL  20   5.174   1.310  -3.656
  151    HB   VAL  20           HB       VAL  20   5.736  -1.420  -2.474
  152   HG11  VAL  20          HG11      VAL  20   7.528   0.048  -1.677
  153   HG12  VAL  20          HG12      VAL  20   6.401  -0.355  -0.382
  154   HG13  VAL  20          HG13      VAL  20   6.327   1.231  -1.152
  155   HG21  VAL  20          HG21      VAL  20   4.030  -0.678  -0.836
  156   HG22  VAL  20          HG22      VAL  20   3.413  -0.692  -2.487
  157   HG23  VAL  20          HG23      VAL  20   3.863   0.833  -1.726
  158    H    SER  21           HN       SER  21   7.356  -1.284  -4.703
  159    HA   SER  21           HA       SER  21   9.783  -0.058  -3.992
  160    HB2  SER  21           HB2      SER  21   9.385  -2.493  -4.703
  161    HB3  SER  21           HB1      SER  21   9.424  -1.914  -6.364
  162    HG   SER  21           HG       SER  21  11.509  -1.227  -4.611
  163    H    GLU  22           HN       GLU  22   7.581   0.617  -6.570
  164    HA   GLU  22           HA       GLU  22   9.520   1.814  -8.321
  165    HB2  GLU  22           HB2      GLU  22   6.509   1.778  -8.344
  166    HB3  GLU  22           HB1      GLU  22   7.488   2.479  -9.620
  167    HG2  GLU  22           HG2      GLU  22   8.033  -0.327  -8.884
  168    HG3  GLU  22           HG1      GLU  22   6.520   0.010  -9.718
  169    H    GLU  23           HN       GLU  23   6.909   2.920  -6.220
  170    HA   GLU  23           HA       GLU  23   7.327   5.652  -7.036
  171    HB2  GLU  23           HB2      GLU  23   5.354   4.479  -5.057
  172    HB3  GLU  23           HB1      GLU  23   5.315   6.125  -5.674
  173    HG2  GLU  23           HG2      GLU  23   4.911   3.579  -7.221
  174    HG3  GLU  23           HG1      GLU  23   3.698   4.792  -6.846
  175    H    SER  24           HN       SER  24   8.019   3.691  -4.207
  176    HA   SER  24           HA       SER  24   8.657   5.957  -2.536
  177    HB2  SER  24           HB2      SER  24   9.458   4.281  -0.935
  178    HB3  SER  24           HB1      SER  24   7.858   3.859  -1.540
  179    HG   SER  24           HG       SER  24   8.705   2.244  -2.728
  180    H    GLY  25           HN       GLY  25  10.411   3.736  -4.609
  181    HA2  GLY  25           HA2      GLY  25  12.569   4.160  -5.534
  182    HA3  GLY  25           HA1      GLY  25  12.823   5.386  -4.293
  183    H    ILE  26           HN       ILE  26  11.503   2.533  -3.079
  184    HA   ILE  26           HA       ILE  26  14.123   1.708  -2.030
  185    HB   ILE  26           HB       ILE  26  11.456   0.751  -0.989
  186   HG12  ILE  26          HG12      ILE  26  12.966   3.099   0.187
  187   HG13  ILE  26          HG11      ILE  26  11.634   3.314  -0.951
  188   HG21  ILE  26          HG21      ILE  26  12.733   0.342   1.057
  189   HG22  ILE  26          HG22      ILE  26  14.178   0.994   0.286
  190   HG23  ILE  26          HG23      ILE  26  13.448  -0.492  -0.324
  191   HD11  ILE  26          HD11      ILE  26  11.466   1.909   1.712
  192   HD12  ILE  26          HD12      ILE  26  10.126   2.195   0.599
  193   HD13  ILE  26          HD13      ILE  26  10.929   3.557   1.384
  194    H    ALA  27           HN       ALA  27  14.986   0.120  -3.192
  195    HA   ALA  27           HA       ALA  27  13.751  -1.561  -5.014
  196    HB1  ALA  27           HB1      ALA  27  15.771  -2.938  -4.856
  197    HB2  ALA  27           HB2      ALA  27  16.210  -2.124  -3.355
  198    HB3  ALA  27           HB3      ALA  27  16.177  -1.221  -4.870
  199    H    LEU  28           HN       LEU  28  12.979  -3.642  -4.974
  200    HA   LEU  28           HA       LEU  28  11.335  -4.428  -2.888
  201    HB2  LEU  28           HB2      LEU  28  11.186  -5.192  -5.226
  202    HB3  LEU  28           HB1      LEU  28  12.644  -6.137  -5.015
  203    HG   LEU  28           HG       LEU  28  11.348  -7.416  -3.210
  204   HD11  LEU  28          HD11      LEU  28   9.089  -5.972  -4.575
  205   HD12  LEU  28          HD12      LEU  28   9.485  -5.979  -2.856
  206   HD13  LEU  28          HD13      LEU  28   8.879  -7.446  -3.626
  207   HD21  LEU  28          HD21      LEU  28  10.332  -8.870  -4.884
  208   HD22  LEU  28          HD22      LEU  28  11.942  -8.341  -5.376
  209   HD23  LEU  28          HD23      LEU  28  10.512  -7.600  -6.095
  210    H    GLU  29           HN       GLU  29  14.696  -5.210  -3.495
  211    HA   GLU  29           HA       GLU  29  14.905  -7.323  -1.586
  212    HB2  GLU  29           HB2      GLU  29  17.115  -5.626  -2.748
  213    HB3  GLU  29           HB1      GLU  29  17.271  -7.205  -1.993
  214    HG2  GLU  29           HG2      GLU  29  15.515  -6.885  -4.383
  215    HG3  GLU  29           HG1      GLU  29  17.267  -7.031  -4.577
  216    H    GLU  30           HN       GLU  30  14.877  -3.921  -1.328
  217    HA   GLU  30           HA       GLU  30  16.143  -4.014   1.342
  218    HB2  GLU  30           HB2      GLU  30  15.553  -1.568  -0.335
  219    HB3  GLU  30           HB1      GLU  30  16.467  -1.621   1.167
  220    HG2  GLU  30           HG2      GLU  30  18.099  -3.119  -0.104
  221    HG3  GLU  30           HG1      GLU  30  17.266  -2.553  -1.557
  222    H    LEU  31           HN       LEU  31  13.224  -4.186  -0.069
  223    HA   LEU  31           HA       LEU  31  11.811  -2.236   1.475
  224    HB2  LEU  31           HB2      LEU  31  11.197  -3.837  -0.734
  225    HB3  LEU  31           HB1      LEU  31  10.161  -4.471   0.539
  226    HG   LEU  31           HG       LEU  31  10.147  -1.802  -0.790
  227   HD11  LEU  31          HD11      LEU  31   8.591  -3.510  -1.498
  228   HD12  LEU  31          HD12      LEU  31   7.726  -2.187  -0.715
  229   HD13  LEU  31          HD13      LEU  31   8.006  -3.696   0.155
  230   HD21  LEU  31          HD21      LEU  31   9.178  -2.275   2.028
  231   HD22  LEU  31          HD22      LEU  31   8.768  -0.876   1.035
  232   HD23  LEU  31          HD23      LEU  31  10.443  -1.156   1.512
  233    H    THR  32           HN       THR  32  12.120  -2.495   3.582
  234    HA   THR  32           HA       THR  32  11.496  -5.108   4.764
  235    HB   THR  32           HB       THR  32  12.661  -4.339   6.758
  236    HG1  THR  32           HG1      THR  32  13.803  -2.204   6.514
  237   HG21  THR  32          HG21      THR  32  14.227  -3.867   4.203
  238   HG22  THR  32          HG22      THR  32  14.124  -5.362   5.140
  239   HG23  THR  32          HG23      THR  32  14.964  -3.961   5.803
  240    H    ASP  33           HN       ASP  33  10.091  -5.133   6.635
  241    HA   ASP  33           HA       ASP  33   7.886  -3.332   6.170
  242    HB2  ASP  33           HB2      ASP  33   8.225  -5.805   7.834
  243    HB3  ASP  33           HB1      ASP  33   6.808  -4.777   8.019
  244    H    ASP  34           HN       ASP  34  10.573  -3.134   8.024
  245    HA   ASP  34           HA       ASP  34   9.275  -1.743  10.236
  246    HB2  ASP  34           HB2      ASP  34  12.180  -2.407   9.720
  247    HB3  ASP  34           HB1      ASP  34  11.597  -1.531  11.137
  248    H    SER  35           HN       SER  35  10.275  -1.046   7.174
  249    HA   SER  35           HA       SER  35  11.306   1.617   7.600
  250    HB2  SER  35           HB2      SER  35  10.113   0.341   5.117
  251    HB3  SER  35           HB1      SER  35  10.970   1.880   5.163
  252    HG   SER  35           HG       SER  35  12.046  -0.668   5.830
  253    H    ASN  36           HN       ASN  36  10.222   3.541   6.888
  254    HA   ASN  36           HA       ASN  36   7.331   3.421   7.464
  255    HB2  ASN  36           HB2      ASN  36   8.780   4.235   9.380
  256    HB3  ASN  36           HB1      ASN  36   9.232   5.592   8.364
  257   HD21  ASN  36          HD21      ASN  36   6.693   4.219  10.330
  258   HD22  ASN  36          HD22      ASN  36   5.649   5.587  10.245
  259    H    PHE  37           HN       PHE  37   6.132   4.339   5.917
  260    HA   PHE  37           HA       PHE  37   7.186   5.306   3.529
  261    HB2  PHE  37           HB2      PHE  37   4.465   5.470   4.779
  262    HB3  PHE  37           HB1      PHE  37   4.797   6.302   3.260
  263    HD1  PHE  37           HD1      PHE  37   6.041   4.768   1.453
  264    HD2  PHE  37           HD2      PHE  37   3.670   3.358   4.687
  265    HE1  PHE  37           HE1      PHE  37   5.638   2.655   0.233
  266    HE2  PHE  37           HE2      PHE  37   3.268   1.262   3.499
  267    HZ   PHE  37           HZ       PHE  37   4.398   0.924   1.177
  268    H    ALA  38           HN       ALA  38   5.806   7.138   6.261
  269    HA   ALA  38           HA       ALA  38   6.233   9.685   5.072
  270    HB1  ALA  38           HB1      ALA  38   5.803   8.945   7.962
  271    HB2  ALA  38           HB2      ALA  38   4.550   9.345   6.786
  272    HB3  ALA  38           HB3      ALA  38   5.709  10.575   7.295
  273    H    ASP  39           HN       ASP  39   8.188   7.596   7.080
  274    HA   ASP  39           HA       ASP  39  10.147   9.565   7.764
  275    HB2  ASP  39           HB2      ASP  39   9.866   7.554   9.127
  276    HB3  ASP  39           HB1      ASP  39  10.287   6.541   7.750
  277    H    MET  40           HN       MET  40   9.577   7.517   5.044
  278    HA   MET  40           HA       MET  40  12.289   7.759   4.051
  279    HB2  MET  40           HB2      MET  40   9.845   6.353   3.041
  280    HB3  MET  40           HB1      MET  40  11.288   6.520   2.046
  281    HG2  MET  40           HG2      MET  40  11.339   5.357   4.803
  282    HG3  MET  40           HG1      MET  40  11.083   4.375   3.356
  283    HE1  MET  40           HE1      MET  40  13.187   2.897   4.165
  284    HE2  MET  40           HE2      MET  40  13.448   3.960   5.550
  285    HE3  MET  40           HE3      MET  40  14.788   3.570   4.469
  286    H    GLY  41           HN       GLY  41   9.455   9.559   3.910
  287    HA2  GLY  41           HA2      GLY  41   9.502  11.776   2.964
  288    HA3  GLY  41           HA1      GLY  41  10.626  11.189   1.746
  289    H    ILE  42           HN       ILE  42   7.873   9.228   2.456
  290    HA   ILE  42           HA       ILE  42   6.844   9.549  -0.185
  291    HB   ILE  42           HB       ILE  42   5.686   8.175   2.249
  292   HG12  ILE  42          HG12      ILE  42   7.765   7.240   1.199
  293   HG13  ILE  42          HG11      ILE  42   6.384   6.140   1.200
  294   HG21  ILE  42          HG21      ILE  42   3.838   8.848   0.887
  295   HG22  ILE  42          HG22      ILE  42   4.100   7.117   0.657
  296   HG23  ILE  42          HG23      ILE  42   4.639   8.263  -0.573
  297   HD11  ILE  42          HD11      ILE  42   5.960   6.693  -1.148
  298   HD12  ILE  42          HD12      ILE  42   7.572   6.024  -0.896
  299   HD13  ILE  42          HD13      ILE  42   7.367   7.759  -1.135
  300    H    ASP  43           HN       ASP  43   5.975  11.413  -0.756
  301    HA   ASP  43           HA       ASP  43   4.416  12.972   1.151
  302    HB2  ASP  43           HB2      ASP  43   5.391  13.524  -1.645
  303    HB3  ASP  43           HB1      ASP  43   4.323  14.624  -0.777
  304    H    SER  44           HN       SER  44   2.549  14.205  -0.094
  305    HA   SER  44           HA       SER  44   0.402  12.473  -0.337
  306    HB2  SER  44           HB2      SER  44   0.083  14.802   0.135
  307    HB3  SER  44           HB1      SER  44   0.802  15.268  -1.406
  308    H    LEU  45           HN       LEU  45   2.284  14.063  -2.884
  309    HA   LEU  45           HA       LEU  45   0.978  13.155  -5.140
  310    HB2  LEU  45           HB2      LEU  45   2.924  14.771  -5.017
  311    HB3  LEU  45           HB1      LEU  45   3.989  13.391  -4.845
  312    HG   LEU  45           HG       LEU  45   3.843  14.469  -7.137
  313   HD11  LEU  45          HD11      LEU  45   3.970  12.339  -8.323
  314   HD12  LEU  45          HD12      LEU  45   3.280  11.517  -6.923
  315   HD13  LEU  45          HD13      LEU  45   4.862  12.292  -6.803
  316   HD21  LEU  45          HD21      LEU  45   1.196  13.025  -7.177
  317   HD22  LEU  45          HD22      LEU  45   1.988  13.766  -8.568
  318   HD23  LEU  45          HD23      LEU  45   1.435  14.772  -7.229
  319    H    SER  46           HN       SER  46   3.754  11.522  -3.582
  320    HA   SER  46           HA       SER  46   3.713   9.326  -5.367
  321    HB2  SER  46           HB2      SER  46   5.718  10.063  -4.083
  322    HB3  SER  46           HB1      SER  46   4.952   9.475  -2.607
  323    HG   SER  46           HG       SER  46   5.840   7.996  -4.854
  324    H    SER  47           HN       SER  47   2.486   9.726  -2.072
  325    HA   SER  47           HA       SER  47   1.746   7.034  -1.716
  326    HB2  SER  47           HB2      SER  47   0.393   7.921   0.183
  327    HB3  SER  47           HB1      SER  47   2.067   8.481   0.179
  328    HG   SER  47           HG       SER  47   1.422  10.465  -0.471
  329    H    MET  48           HN       MET  48   0.099   9.754  -3.149
  330    HA   MET  48           HA       MET  48  -2.476   8.507  -3.254
  331    HB2  MET  48           HB2      MET  48  -2.019  11.002  -3.360
  332    HB3  MET  48           HB1      MET  48  -1.443  10.743  -5.000
  333    HG2  MET  48           HG2      MET  48  -3.753  11.532  -4.974
  334    HG3  MET  48           HG1      MET  48  -3.624   9.914  -5.662
  335    HE1  MET  48           HE1      MET  48  -6.289   9.681  -5.386
  336    HE2  MET  48           HE2      MET  48  -6.350  11.292  -4.668
  337    HE3  MET  48           HE3      MET  48  -7.125   9.932  -3.853
  338    H    VAL  49           HN       VAL  49   0.253   8.948  -5.423
  339    HA   VAL  49           HA       VAL  49  -0.792   7.783  -7.735
  340    HB   VAL  49           HB       VAL  49   2.038   7.967  -6.672
  341   HG11  VAL  49          HG11      VAL  49   2.848   7.231  -8.856
  342   HG12  VAL  49          HG12      VAL  49   1.195   6.905  -9.375
  343   HG13  VAL  49          HG13      VAL  49   1.912   5.962  -8.068
  344   HG21  VAL  49          HG21      VAL  49   0.993  10.069  -7.411
  345   HG22  VAL  49          HG22      VAL  49   0.653   9.350  -8.985
  346   HG23  VAL  49          HG23      VAL  49   2.320   9.604  -8.473
  347    H    ILE  50           HN       ILE  50   1.176   6.235  -5.167
  348    HA   ILE  50           HA       ILE  50   1.173   3.644  -6.032
  349    HB   ILE  50           HB       ILE  50   0.828   4.538  -3.166
  350   HG12  ILE  50          HG12      ILE  50   3.342   3.961  -4.750
  351   HG13  ILE  50          HG11      ILE  50   2.757   5.569  -4.333
  352   HG21  ILE  50          HG21      ILE  50   1.883   2.392  -2.603
  353   HG22  ILE  50          HG22      ILE  50   1.884   1.953  -4.312
  354   HG23  ILE  50          HG23      ILE  50   0.357   2.167  -3.458
  355   HD11  ILE  50          HD11      ILE  50   3.582   3.447  -2.369
  356   HD12  ILE  50          HD12      ILE  50   3.051   5.083  -1.981
  357   HD13  ILE  50          HD13      ILE  50   4.556   4.832  -2.866
  358    H    GLY  51           HN       GLY  51  -1.313   5.107  -3.914
  359    HA2  GLY  51           HA2      GLY  51  -2.992   2.865  -3.783
  360    HA3  GLY  51           HA1      GLY  51  -3.509   4.527  -3.542
  361    H    SER  52           HN       SER  52  -2.807   5.444  -6.168
  362    HA   SER  52           HA       SER  52  -5.150   4.664  -7.585
  363    HB2  SER  52           HB2      SER  52  -2.828   6.046  -8.967
  364    HB3  SER  52           HB1      SER  52  -4.534   6.184  -9.339
  365    HG   SER  52           HG       SER  52  -3.606   7.012  -6.808
  366    H    ARG  53           HN       ARG  53  -1.731   3.808  -7.910
  367    HA   ARG  53           HA       ARG  53  -2.071   2.363 -10.325
  368    HB2  ARG  53           HB2      ARG  53   0.132   1.977  -8.293
  369    HB3  ARG  53           HB1      ARG  53   0.170   1.516  -9.989
  370    HG2  ARG  53           HG2      ARG  53  -0.235   4.081 -10.369
  371    HG3  ARG  53           HG1      ARG  53   0.428   4.208  -8.742
  372    HD2  ARG  53           HD2      ARG  53   2.463   4.157  -9.668
  373    HD3  ARG  53           HD1      ARG  53   2.152   2.465 -10.059
  374    HE   ARG  53           HE       ARG  53   1.014   3.673 -12.143
  375   HH11  ARG  53          HH11      ARG  53   4.142   4.293 -10.664
  376   HH12  ARG  53          HH12      ARG  53   4.869   4.781 -12.163
  377   HH21  ARG  53          HH21      ARG  53   1.980   4.274 -14.088
  378   HH22  ARG  53          HH22      ARG  53   3.658   4.730 -14.123
  379    H    PHE  54           HN       PHE  54  -2.628   1.585  -6.997
  380    HA   PHE  54           HA       PHE  54  -2.697  -1.230  -7.111
  381    HB2  PHE  54           HB2      PHE  54  -4.328   0.787  -5.546
  382    HB3  PHE  54           HB1      PHE  54  -4.570  -0.943  -5.375
  383    HD1  PHE  54           HD1      PHE  54  -1.298  -0.925  -5.986
  384    HD2  PHE  54           HD2      PHE  54  -3.978   0.454  -3.001
  385    HE1  PHE  54           HE1      PHE  54   0.522  -0.988  -4.342
  386    HE2  PHE  54           HE2      PHE  54  -2.166   0.370  -1.330
  387    HZ   PHE  54           HZ       PHE  54   0.007  -0.400  -1.923
  388    H    ARG  55           HN       ARG  55  -5.009   1.230  -8.027
  389    HA   ARG  55           HA       ARG  55  -7.116  -0.557  -8.751
  390    HB2  ARG  55           HB2      ARG  55  -6.666   2.317  -9.586
  391    HB3  ARG  55           HB1      ARG  55  -8.177   1.428  -9.678
  392    HG2  ARG  55           HG2      ARG  55  -6.885   1.692  -7.018
  393    HG3  ARG  55           HG1      ARG  55  -7.670   3.110  -7.718
  394    HD2  ARG  55           HD2      ARG  55  -8.909   0.423  -7.168
  395    HD3  ARG  55           HD1      ARG  55  -9.261   1.948  -6.355
  396    HE   ARG  55           HE       ARG  55 -10.071   2.705  -8.627
  397   HH11  ARG  55          HH11      ARG  55 -10.143  -0.657  -7.653
  398   HH12  ARG  55          HH12      ARG  55 -11.453  -1.076  -8.716
  399   HH21  ARG  55          HH21      ARG  55 -11.781   2.158 -10.057
  400   HH22  ARG  55          HH22      ARG  55 -12.408   0.536 -10.060
  401    H    GLU  56           HN       GLU  56  -4.309   0.741 -10.315
  402    HA   GLU  56           HA       GLU  56  -5.328   0.397 -12.982
  403    HB2  GLU  56           HB2      GLU  56  -2.524   1.008 -12.051
  404    HB3  GLU  56           HB1      GLU  56  -3.093   1.115 -13.707
  405    HG2  GLU  56           HG2      GLU  56  -4.705   2.872 -12.943
  406    HG3  GLU  56           HG1      GLU  56  -3.892   2.830 -11.375
  407    H    ASP  57           HN       ASP  57  -2.533  -0.988 -11.267
  408    HA   ASP  57           HA       ASP  57  -2.160  -2.864 -13.440
  409    HB2  ASP  57           HB2      ASP  57  -0.233  -1.714 -12.428
  410    HB3  ASP  57           HB1      ASP  57  -0.579  -2.488 -10.887
  411    H    LEU  58           HN       LEU  58  -3.252  -2.918 -10.128
  412    HA   LEU  58           HA       LEU  58  -3.269  -5.836 -10.121
  413    HB2  LEU  58           HB2      LEU  58  -3.557  -3.773  -7.954
  414    HB3  LEU  58           HB1      LEU  58  -3.977  -5.451  -7.678
  415    HG   LEU  58           HG       LEU  58  -1.675  -6.133  -8.170
  416   HD11  LEU  58          HD11      LEU  58  -1.057  -3.193  -8.414
  417   HD12  LEU  58          HD12      LEU  58  -1.138  -4.330  -9.759
  418   HD13  LEU  58          HD13      LEU  58   0.090  -4.530  -8.509
  419   HD21  LEU  58          HD21      LEU  58  -1.871  -3.930  -6.122
  420   HD22  LEU  58          HD22      LEU  58  -0.607  -5.159  -6.195
  421   HD23  LEU  58          HD23      LEU  58  -2.276  -5.631  -5.872
  422    H    GLY  59           HN       GLY  59  -5.420  -3.075  -9.842
  423    HA2  GLY  59           HA2      GLY  59  -7.678  -3.007 -10.465
  424    HA3  GLY  59           HA1      GLY  59  -7.666  -4.762 -10.589
  425    H    LEU  60           HN       LEU  60  -6.584  -2.852  -7.837
  426    HA   LEU  60           HA       LEU  60  -8.198  -4.458  -6.074
  427    HB2  LEU  60           HB2      LEU  60  -6.379  -2.108  -5.578
  428    HB3  LEU  60           HB1      LEU  60  -7.207  -2.977  -4.304
  429    HG   LEU  60           HG       LEU  60  -5.167  -4.179  -6.181
  430   HD11  LEU  60          HD11      LEU  60  -4.949  -3.358  -3.289
  431   HD12  LEU  60          HD12      LEU  60  -4.129  -2.608  -4.659
  432   HD13  LEU  60          HD13      LEU  60  -3.729  -4.263  -4.186
  433   HD21  LEU  60          HD21      LEU  60  -6.786  -5.821  -5.460
  434   HD22  LEU  60          HD22      LEU  60  -6.597  -5.311  -3.783
  435   HD23  LEU  60          HD23      LEU  60  -5.256  -6.086  -4.622
  436    H    ASP  61           HN       ASP  61 -10.137  -3.907  -5.155
  437    HA   ASP  61           HA       ASP  61 -11.356  -1.413  -5.976
  438    HB2  ASP  61           HB2      ASP  61 -12.343  -3.956  -4.808
  439    HB3  ASP  61           HB1      ASP  61 -13.264  -2.497  -4.440
  440    H    LEU  62           HN       LEU  62  -9.853  -0.115  -4.760
  441    HA   LEU  62           HA       LEU  62 -10.288  -0.068  -1.866
  442    HB2  LEU  62           HB2      LEU  62  -8.530   1.700  -3.568
  443    HB3  LEU  62           HB1      LEU  62  -8.527   1.612  -1.819
  444    HG   LEU  62           HG       LEU  62  -7.736  -0.665  -3.632
  445   HD11  LEU  62          HD11      LEU  62  -5.449  -0.122  -3.016
  446   HD12  LEU  62          HD12      LEU  62  -6.016   1.268  -2.090
  447   HD13  LEU  62          HD13      LEU  62  -6.214   1.234  -3.841
  448   HD21  LEU  62          HD21      LEU  62  -8.535  -1.389  -1.451
  449   HD22  LEU  62          HD22      LEU  62  -7.444  -0.251  -0.659
  450   HD23  LEU  62          HD23      LEU  62  -6.788  -1.607  -1.576
  451    H    GLY  63           HN       GLY  63 -10.260   2.235  -4.535
  452    HA2  GLY  63           HA2      GLY  63 -12.615   3.471  -4.506
  453    HA3  GLY  63           HA1      GLY  63 -11.869   4.112  -3.045
  454    HA   PRO  64           HA       PRO  64 -10.211   6.465  -6.728
  455    HB2  PRO  64           HB2      PRO  64 -11.521   8.801  -6.468
  456    HB3  PRO  64           HB1      PRO  64 -12.192   7.446  -7.402
  457    HG2  PRO  64           HG2      PRO  64 -12.835   8.363  -4.631
  458    HG3  PRO  64           HG1      PRO  64 -13.929   7.759  -5.889
  459    HD2  PRO  64           HD2      PRO  64 -12.999   6.279  -3.764
  460    HD3  PRO  64           HD1      PRO  64 -13.565   5.579  -5.292
  461    H    GLU  65           HN       GLU  65 -10.803   7.158  -3.372
  462    HA   GLU  65           HA       GLU  65  -8.555   9.044  -3.368
  463    HB2  GLU  65           HB2      GLU  65 -10.732  10.137  -2.920
  464    HB3  GLU  65           HB1      GLU  65 -10.961   9.069  -1.540
  465    HG2  GLU  65           HG2      GLU  65  -9.008  10.027  -0.453
  466    HG3  GLU  65           HG1      GLU  65  -8.742  11.086  -1.837
  467    H    PHE  66           HN       PHE  66  -7.471   6.891  -3.138
  468    HA   PHE  66           HA       PHE  66  -7.263   6.208  -0.272
  469    HB2  PHE  66           HB2      PHE  66  -7.738   4.323  -1.887
  470    HB3  PHE  66           HB1      PHE  66  -6.163   4.631  -2.614
  471    HD1  PHE  66           HD2      PHE  66  -7.919   3.406   0.358
  472    HD2  PHE  66           HD1      PHE  66  -4.146   3.969  -1.527
  473    HE1  PHE  66           HE2      PHE  66  -6.871   1.931   2.025
  474    HE2  PHE  66           HE1      PHE  66  -3.092   2.499   0.128
  475    HZ   PHE  66           HZ       PHE  66  -4.486   1.423   1.886
  476    H    SER  67           HN       SER  67  -5.720   7.328   0.697
  477    HA   SER  67           HA       SER  67  -3.256   7.924  -0.806
  478    HB2  SER  67           HB2      SER  67  -4.398   9.629   1.415
  479    HB3  SER  67           HB1      SER  67  -3.124  10.053   0.271
  480    HG   SER  67           HG       SER  67  -4.739   9.930  -1.397
  481    H    LEU  68           HN       LEU  68  -1.568   6.852  -0.013
  482    HA   LEU  68           HA       LEU  68  -1.568   5.507   2.467
  483    HB2  LEU  68           HB2      LEU  68   0.720   6.276   0.665
  484    HB3  LEU  68           HB1      LEU  68   0.886   5.248   2.071
  485    HG   LEU  68           HG       LEU  68  -0.696   4.646  -0.424
  486   HD11  LEU  68          HD11      LEU  68   1.857   3.592   0.766
  487   HD12  LEU  68          HD12      LEU  68   1.610   4.325  -0.825
  488   HD13  LEU  68          HD13      LEU  68   0.946   2.725  -0.471
  489   HD21  LEU  68          HD21      LEU  68  -1.106   2.459   0.638
  490   HD22  LEU  68          HD22      LEU  68  -1.874   3.792   1.502
  491   HD23  LEU  68          HD23      LEU  68  -0.389   3.074   2.128
  492    H    PHE  69           HN       PHE  69  -0.736   8.723   1.572
  493    HA   PHE  69           HA       PHE  69   0.946   9.346   3.782
  494    HB2  PHE  69           HB2      PHE  69   0.815  10.550   1.554
  495    HB3  PHE  69           HB1      PHE  69  -0.703  11.256   2.094
  496    HD1  PHE  69           HD1      PHE  69   2.234  10.695   4.267
  497    HD2  PHE  69           HD2      PHE  69  -0.050  13.498   2.029
  498    HE1  PHE  69           HE1      PHE  69   3.476  12.545   5.321
  499    HE2  PHE  69           HE2      PHE  69   1.180  15.351   3.079
  500    HZ   PHE  69           HZ       PHE  69   2.946  14.873   4.730
  501    H    ILE  70           HN       ILE  70  -2.286   8.587   3.656
  502    HA   ILE  70           HA       ILE  70  -2.876  10.217   6.043
  503    HB   ILE  70           HB       ILE  70  -4.858   9.467   3.854
  504   HG12  ILE  70          HG12      ILE  70  -3.811  12.153   4.789
  505   HG13  ILE  70          HG11      ILE  70  -3.396  11.361   3.275
  506   HG21  ILE  70          HG21      ILE  70  -5.863   9.325   6.087
  507   HG22  ILE  70          HG22      ILE  70  -6.519  10.669   5.153
  508   HG23  ILE  70          HG23      ILE  70  -5.336  10.974   6.424
  509   HD11  ILE  70          HD11      ILE  70  -6.138  12.318   4.057
  510   HD12  ILE  70          HD12      ILE  70  -5.712  11.519   2.542
  511   HD13  ILE  70          HD13      ILE  70  -5.039  13.105   2.921
  512    H    ASP  71           HN       ASP  71  -3.393   7.140   4.355
  513    HA   ASP  71           HA       ASP  71  -4.822   6.135   6.725
  514    HB2  ASP  71           HB2      ASP  71  -5.647   6.127   4.155
  515    HB3  ASP  71           HB1      ASP  71  -4.848   4.559   4.215
  516    H    CYS  72           HN       CYS  72  -1.744   6.143   5.893
  517    HA   CYS  72           HA       CYS  72  -1.215   3.538   7.023
  518    HB2  CYS  72           HB2      CYS  72  -0.364   4.218   4.201
  519    HB3  CYS  72           HB1      CYS  72   0.358   2.921   5.146
  520    HG   CYS  72           HG       CYS  72  -2.878   2.513   5.234
  521    H    THR  73           HN       THR  73   1.074   3.265   7.547
  522    HA   THR  73           HA       THR  73   2.549   5.807   7.623
  523    HB   THR  73           HB       THR  73   3.098   5.450   9.984
  524    HG1  THR  73           HG1      THR  73   1.314   3.656  10.760
  525   HG21  THR  73          HG21      THR  73   0.792   5.759  10.924
  526   HG22  THR  73          HG22      THR  73   0.161   5.371   9.316
  527   HG23  THR  73          HG23      THR  73   1.169   6.801   9.547
  528    H    THR  74           HN       THR  74   3.128   2.513   8.950
  529    HA   THR  74           HA       THR  74   5.762   2.507   7.745
  530    HB   THR  74           HB       THR  74   6.032   0.286   8.764
  531    HG1  THR  74           HG1      THR  74   3.794   0.276  10.306
  532   HG21  THR  74          HG21      THR  74   6.556   2.241  10.111
  533   HG22  THR  74          HG22      THR  74   5.879   0.960  11.119
  534   HG23  THR  74          HG23      THR  74   4.880   2.335  10.650
  535    H    VAL  75           HN       VAL  75   6.221  -0.013   6.826
  536    HA   VAL  75           HA       VAL  75   4.759   0.127   4.318
  537    HB   VAL  75           HB       VAL  75   6.625  -2.102   4.615
  538   HG11  VAL  75          HG11      VAL  75   6.389   0.170   2.660
  539   HG12  VAL  75          HG12      VAL  75   5.744  -1.462   2.472
  540   HG13  VAL  75          HG13      VAL  75   7.488  -1.197   2.492
  541   HG21  VAL  75          HG21      VAL  75   7.639   0.708   4.910
  542   HG22  VAL  75          HG22      VAL  75   8.646  -0.685   4.508
  543   HG23  VAL  75          HG23      VAL  75   7.811  -0.618   6.060
  544    H    ARG  76           HN       ARG  76   5.403  -2.054   6.937
  545    HA   ARG  76           HA       ARG  76   3.837  -4.223   6.238
  546    HB2  ARG  76           HB2      ARG  76   5.492  -4.045   8.096
  547    HB3  ARG  76           HB1      ARG  76   4.293  -3.152   9.017
  548    HG2  ARG  76           HG2      ARG  76   4.275  -5.401   9.736
  549    HG3  ARG  76           HG1      ARG  76   2.788  -5.119   8.826
  550    HD2  ARG  76           HD2      ARG  76   3.686  -6.227   6.899
  551    HD3  ARG  76           HD1      ARG  76   5.272  -6.367   7.660
  552    HE   ARG  76           HE       ARG  76   2.926  -7.709   8.834
  553   HH11  ARG  76          HH11      ARG  76   6.100  -7.867   7.328
  554   HH12  ARG  76          HH12      ARG  76   6.383  -9.513   7.817
  555   HH21  ARG  76          HH21      ARG  76   3.294  -9.894   9.430
  556   HH22  ARG  76          HH22      ARG  76   4.770 -10.675   8.958
  557    H    ALA  77           HN       ALA  77   2.957  -1.108   7.613
  558    HA   ALA  77           HA       ALA  77   0.364  -1.692   8.475
  559    HB1  ALA  77           HB1      ALA  77   1.402   0.873   7.259
  560    HB2  ALA  77           HB2      ALA  77   1.450   0.430   8.966
  561    HB3  ALA  77           HB3      ALA  77  -0.099   0.706   8.173
  562    H    LEU  78           HN       LEU  78   1.634  -1.163   5.262
  563    HA   LEU  78           HA       LEU  78  -0.936  -0.955   3.976
  564    HB2  LEU  78           HB2      LEU  78   1.634  -0.368   3.261
  565    HB3  LEU  78           HB1      LEU  78   1.385  -1.870   2.405
  566    HG   LEU  78           HG       LEU  78  -0.440   0.502   2.139
  567   HD11  LEU  78          HD11      LEU  78   1.769   1.168   1.459
  568   HD12  LEU  78          HD12      LEU  78   0.782   0.912   0.020
  569   HD13  LEU  78          HD13      LEU  78   1.965  -0.302   0.509
  570   HD21  LEU  78          HD21      LEU  78  -1.416  -1.619   1.459
  571   HD22  LEU  78          HD22      LEU  78  -0.026  -1.936   0.415
  572   HD23  LEU  78          HD23      LEU  78  -1.103  -0.580   0.068
  573    H    LYS  79           HN       LYS  79   1.516  -3.378   4.460
  574    HA   LYS  79           HA       LYS  79   0.429  -5.524   3.027
  575    HB2  LYS  79           HB2      LYS  79   1.922  -5.885   5.606
  576    HB3  LYS  79           HB1      LYS  79   2.021  -6.852   4.141
  577    HG2  LYS  79           HG2      LYS  79   2.947  -4.008   4.165
  578    HG3  LYS  79           HG1      LYS  79   3.990  -5.288   4.762
  579    HD2  LYS  79           HD2      LYS  79   3.934  -6.386   2.620
  580    HD3  LYS  79           HD1      LYS  79   2.734  -5.235   2.021
  581    HE2  LYS  79           HE2      LYS  79   5.466  -4.430   2.997
  582    HE3  LYS  79           HE1      LYS  79   5.107  -4.790   1.298
  583    HZ1  LYS  79           HZ1      LYS  79   4.972  -2.437   1.707
  584    HZ2  LYS  79           HZ2      LYS  79   3.858  -2.670   2.960
  585    HZ3  LYS  79           HZ3      LYS  79   3.424  -3.030   1.364
  586    H    ASP  80           HN       ASP  80   0.222  -4.659   6.432
  587    HA   ASP  80           HA       ASP  80  -1.387  -6.780   7.290
  588    HB2  ASP  80           HB2      ASP  80   0.030  -5.202   8.687
  589    HB3  ASP  80           HB1      ASP  80  -1.275  -4.033   8.534
  590    H    PHE  81           HN       PHE  81  -2.155  -3.720   5.852
  591    HA   PHE  81           HA       PHE  81  -4.925  -3.702   6.515
  592    HB2  PHE  81           HB2      PHE  81  -3.715  -1.638   5.951
  593    HB3  PHE  81           HB1      PHE  81  -3.415  -2.249   4.324
  594    HD1  PHE  81           HD1      PHE  81  -6.153  -1.323   6.659
  595    HD2  PHE  81           HD2      PHE  81  -4.928  -1.822   2.616
  596    HE1  PHE  81           HE1      PHE  81  -8.264  -0.315   5.901
  597    HE2  PHE  81           HE2      PHE  81  -7.040  -0.814   1.849
  598    HZ   PHE  81           HZ       PHE  81  -8.710  -0.062   3.494
  599    H    MET  82           HN       MET  82  -3.005  -4.830   3.803
  600    HA   MET  82           HA       MET  82  -5.329  -5.359   2.191
  601    HB2  MET  82           HB2      MET  82  -2.375  -5.845   1.759
  602    HB3  MET  82           HB1      MET  82  -3.593  -6.262   0.542
  603    HG2  MET  82           HG2      MET  82  -4.132  -3.585   1.354
  604    HG3  MET  82           HG1      MET  82  -2.380  -3.694   1.133
  605    HE1  MET  82           HE1      MET  82  -1.764  -5.567  -1.050
  606    HE2  MET  82           HE2      MET  82  -1.204  -3.902  -1.204
  607    HE3  MET  82           HE3      MET  82  -1.997  -4.698  -2.568
  608    H    LEU  83           HN       LEU  83  -2.952  -7.409   3.910
  609    HA   LEU  83           HA       LEU  83  -4.417  -9.780   3.158
  610    HB2  LEU  83           HB2      LEU  83  -2.098  -9.339   5.046
  611    HB3  LEU  83           HB1      LEU  83  -2.818 -10.912   4.779
  612    HG   LEU  83           HG       LEU  83  -2.211 -10.626   2.329
  613   HD11  LEU  83          HD11      LEU  83  -1.895  -8.222   2.313
  614   HD12  LEU  83          HD12      LEU  83  -0.432  -9.058   1.793
  615   HD13  LEU  83          HD13      LEU  83  -0.532  -8.385   3.420
  616   HD21  LEU  83          HD21      LEU  83  -0.936 -12.089   3.821
  617   HD22  LEU  83          HD22      LEU  83   0.025 -10.711   4.361
  618   HD23  LEU  83          HD23      LEU  83   0.140 -11.262   2.690
  619    H    GLY  84           HN       GLY  84  -3.906  -7.911   6.116
  620    HA2  GLY  84           HA2      GLY  84  -5.490  -7.616   7.849
  621    HA3  GLY  84           HA1      GLY  84  -6.422  -8.951   7.184
  622    H    SER  85           HN       SER  85  -5.360  -8.337   9.947
  623    HA   SER  85           HA       SER  85  -3.923 -10.856  10.364
  624    HB2  SER  85           HB2      SER  85  -4.065  -8.324  11.999
  625    HB3  SER  85           HB1      SER  85  -3.449  -9.835  12.666
  626    HG   SER  85           HG       SER  85  -2.349  -8.152  10.717
  627    H    GLY  86           HN       GLY  86  -6.722 -10.743   9.852
  628    HA2  GLY  86           HA2      GLY  86  -7.710 -11.873  12.372
  629    HA3  GLY  86           HA1      GLY  86  -8.646 -10.604  11.595
  630    H    ASP  87           HN       ASP  87  -7.205 -13.791  10.962
  631    HA   ASP  87           HA       ASP  87  -9.202 -14.298   8.885
  632    HB2  ASP  87           HB2      ASP  87  -6.813 -15.868   9.866
  633    HB3  ASP  87           HB1      ASP  87  -7.973 -16.530   8.721
  634    H    ALA  88           HN       ALA  88  -9.850 -14.014  11.754
  635    HA   ALA  88           HA       ALA  88 -10.620 -16.708  12.562
  636    HB1  ALA  88           HB1      ALA  88 -11.115 -15.733  14.720
  637    HB2  ALA  88           HB2      ALA  88 -10.880 -14.110  14.073
  638    HB3  ALA  88           HB3      ALA  88  -9.514 -15.218  14.189
  639    H    GLY  89           HN       GLY  89 -11.935 -14.759  10.472
  640    HA2  GLY  89           HA2      GLY  89 -14.669 -15.367  11.378
  641    HA3  GLY  89           HA1      GLY  89 -14.283 -13.811  10.654
  642   H282  PNS  90          H28A      PNS  44  -1.003  14.014  -4.313
  643   H281  PNS  90          H28B      PNS  44  -2.715  14.183  -3.929
  644   H303  PNS  90          H30A      PNS  44  -1.058  16.059  -7.357
  645   H302  PNS  90          H30B      PNS  44  -0.050  15.108  -6.266
  646   H301  PNS  90          H30C      PNS  44  -0.700  16.661  -5.740
  647   H313  PNS  90          H31A      PNS  44  -3.246  13.298  -6.198
  648   H312  PNS  90          H31B      PNS  44  -1.547  13.212  -6.660
  649   H311  PNS  90          H31C      PNS  44  -2.681  14.142  -7.638
  650    H32  PNS  90          H32A      PNS  44  -3.176  16.856  -5.200
  651    H33  PNS  90          H33A      PNS  44  -3.731  15.854  -7.808
  652    H36  PNS  90          H36A      PNS  44  -5.577  16.303  -6.966
  653   H372  PNS  90          H37A      PNS  44  -6.995  14.052  -6.058
  654   H371  PNS  90          H37B      PNS  44  -7.392  15.439  -5.043
  655   H382  PNS  90          H38A      PNS  44  -7.628  15.404  -8.051
  656   H381  PNS  90          H38B      PNS  44  -8.955  15.060  -6.949
  657    H41  PNS  90          H41A      PNS  44  -9.288  16.955  -8.734
  658   H422  PNS  90          H42A      PNS  44 -10.306  19.133  -7.514
  659   H421  PNS  90          H42B      PNS  44  -8.635  19.604  -7.836
  660   H431  PNS  90          H43A      PNS  44 -10.527  18.555  -9.934
  661   H432  PNS  90          H43B      PNS  44  -8.932  19.267 -10.194
  662    H44  PNS  90           H1       PNS  44 -11.723  20.920  -9.091
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1 -18.003   0.001  14.043
    2    H2   ALA   1           HT2      ALA   1 -19.403   0.927  14.242
    3    H3   ALA   1           HT3      ALA   1 -19.067   0.215  12.740
    4    HA   ALA   1           HA       ALA   1 -19.661  -1.231  15.252
    5    HB1  ALA   1           HB1      ALA   1 -21.338  -0.909  12.768
    6    HB2  ALA   1           HB2      ALA   1 -21.621  -0.098  14.310
    7    HB3  ALA   1           HB3      ALA   1 -21.757  -1.853  14.197
    8    H    MET   2           HN       MET   2 -19.487  -1.593  11.692
    9    HA   MET   2           HA       MET   2 -18.345  -4.270  12.154
   10    HB2  MET   2           HB2      MET   2 -20.592  -4.493  11.270
   11    HB3  MET   2           HB1      MET   2 -20.231  -3.369   9.968
   12    HG2  MET   2           HG2      MET   2 -20.233  -5.663   9.176
   13    HG3  MET   2           HG1      MET   2 -18.632  -4.940   9.028
   14    HE1  MET   2           HE1      MET   2 -17.484  -7.321   8.711
   15    HE2  MET   2           HE2      MET   2 -19.094  -8.038   8.765
   16    HE3  MET   2           HE3      MET   2 -17.803  -8.691   9.774
   17    H    ALA   3           HN       ALA   3 -16.422  -4.721  11.067
   18    HA   ALA   3           HA       ALA   3 -15.587  -2.893   8.958
   19    HB1  ALA   3           HB1      ALA   3 -14.686  -1.940  11.016
   20    HB2  ALA   3           HB2      ALA   3 -13.399  -2.562   9.981
   21    HB3  ALA   3           HB3      ALA   3 -13.915  -3.481  11.394
   22    H    LYS   4           HN       LYS   4 -14.488  -3.835   7.409
   23    HA   LYS   4           HA       LYS   4 -13.026  -6.299   7.855
   24    HB2  LYS   4           HB2      LYS   4 -15.374  -6.961   7.174
   25    HB3  LYS   4           HB1      LYS   4 -15.090  -6.132   5.649
   26    HG2  LYS   4           HG2      LYS   4 -13.152  -7.657   5.267
   27    HG3  LYS   4           HG1      LYS   4 -13.646  -8.549   6.707
   28    HD2  LYS   4           HD2      LYS   4 -15.809  -9.022   5.677
   29    HD3  LYS   4           HD1      LYS   4 -15.337  -8.098   4.249
   30    HE2  LYS   4           HE2      LYS   4 -13.449  -9.682   3.920
   31    HE3  LYS   4           HE1      LYS   4 -14.061 -10.638   5.268
   32    HZ1  LYS   4           HZ1      LYS   4 -15.419 -10.113   2.680
   33    HZ2  LYS   4           HZ2      LYS   4 -16.170 -10.866   3.999
   34    HZ3  LYS   4           HZ3      LYS   4 -14.836 -11.604   3.248
   35    H    GLY   5           HN       GLY   5 -11.677  -6.816   5.884
   36    HA2  GLY   5           HA2      GLY   5 -10.994  -4.316   4.469
   37    HA3  GLY   5           HA1      GLY   5  -9.833  -5.581   4.855
   38    H    VAL   6           HN       VAL   6  -9.295  -5.578   2.591
   39    HA   VAL   6           HA       VAL   6 -11.280  -6.519   0.715
   40    HB   VAL   6           HB       VAL   6  -8.308  -6.181   0.362
   41   HG11  VAL   6          HG11      VAL   6 -10.496  -6.485  -1.685
   42   HG12  VAL   6          HG12      VAL   6  -9.265  -7.686  -1.295
   43   HG13  VAL   6          HG13      VAL   6  -8.800  -6.156  -2.038
   44   HG21  VAL   6          HG21      VAL   6  -9.366  -4.063   0.940
   45   HG22  VAL   6          HG22      VAL   6 -10.554  -4.298  -0.343
   46   HG23  VAL   6          HG23      VAL   6  -8.855  -4.063  -0.748
   47    H    GLY   7           HN       GLY   7  -8.064  -7.727   1.641
   48    HA2  GLY   7           HA2      GLY   7  -7.683  -9.941   2.485
   49    HA3  GLY   7           HA1      GLY   7  -9.169 -10.457   1.693
   50    H    VAL   8           HN       VAL   8  -5.784  -9.865   1.322
   51    HA   VAL   8           HA       VAL   8  -5.980 -10.648  -1.504
   52    HB   VAL   8           HB       VAL   8  -4.112  -9.335  -2.077
   53   HG11  VAL   8          HG11      VAL   8  -4.584  -7.078  -1.258
   54   HG12  VAL   8          HG12      VAL   8  -5.665  -7.761  -0.046
   55   HG13  VAL   8          HG13      VAL   8  -6.031  -7.947  -1.762
   56   HG21  VAL   8          HG21      VAL   8  -3.506  -8.963   0.849
   57   HG22  VAL   8          HG22      VAL   8  -2.611  -8.252  -0.495
   58   HG23  VAL   8          HG23      VAL   8  -2.624 -10.000  -0.273
   59    H    SER   9           HN       SER   9  -4.314 -12.009  -2.333
   60    HA   SER   9           HA       SER   9  -3.216 -13.799  -0.307
   61    HB2  SER   9           HB2      SER   9  -4.465 -14.767  -2.218
   62    HB3  SER   9           HB1      SER   9  -3.285 -14.070  -3.329
   63    HG   SER   9           HG       SER   9  -3.158 -16.376  -1.930
   64    H    ASN  10           HN       ASN  10  -0.980 -14.776  -1.319
   65    HA   ASN  10           HA       ASN  10   0.961 -12.772  -0.881
   66    HB2  ASN  10           HB2      ASN  10   1.435 -15.103  -0.391
   67    HB3  ASN  10           HB1      ASN  10   1.225 -15.538  -2.081
   68   HD21  ASN  10          HD21      ASN  10   3.309 -13.978   0.242
   69   HD22  ASN  10          HD22      ASN  10   4.716 -13.935  -0.760
   70    H    GLU  11           HN       GLU  11  -0.620 -13.951  -3.714
   71    HA   GLU  11           HA       GLU  11   1.006 -12.978  -5.750
   72    HB2  GLU  11           HB2      GLU  11  -0.863 -14.326  -6.344
   73    HB3  GLU  11           HB1      GLU  11  -1.979 -13.311  -5.441
   74    HG2  GLU  11           HG2      GLU  11  -2.441 -12.830  -7.672
   75    HG3  GLU  11           HG1      GLU  11  -1.366 -11.507  -7.204
   76    H    LYS  12           HN       LYS  12  -1.707 -11.313  -4.136
   77    HA   LYS  12           HA       LYS  12  -1.100  -8.870  -5.486
   78    HB2  LYS  12           HB2      LYS  12  -3.058  -9.513  -3.289
   79    HB3  LYS  12           HB1      LYS  12  -2.883  -7.918  -4.021
   80    HG2  LYS  12           HG2      LYS  12  -3.287  -8.961  -6.254
   81    HG3  LYS  12           HG1      LYS  12  -3.690 -10.464  -5.426
   82    HD2  LYS  12           HD2      LYS  12  -5.560  -9.408  -4.332
   83    HD3  LYS  12           HD1      LYS  12  -5.101  -7.826  -4.998
   84    HE2  LYS  12           HE2      LYS  12  -5.348  -8.857  -7.285
   85    HE3  LYS  12           HE1      LYS  12  -6.064 -10.257  -6.493
   86    HZ1  LYS  12           HZ1      LYS  12  -7.774  -8.795  -7.291
   87    HZ2  LYS  12           HZ2      LYS  12  -7.119  -7.486  -6.445
   88    HZ3  LYS  12           HZ3      LYS  12  -7.792  -8.784  -5.593
   89    H    LEU  13           HN       LEU  13  -0.111 -10.383  -2.573
   90    HA   LEU  13           HA       LEU  13   0.984  -8.033  -1.369
   91    HB2  LEU  13           HB2      LEU  13   0.502 -10.536  -0.474
   92    HB3  LEU  13           HB1      LEU  13   2.226 -10.692  -0.825
   93    HG   LEU  13           HG       LEU  13   2.110 -10.102   1.498
   94   HD11  LEU  13          HD11      LEU  13   3.806  -8.832   0.361
   95   HD12  LEU  13          HD12      LEU  13   3.082  -7.880   1.655
   96   HD13  LEU  13          HD13      LEU  13   2.640  -7.565  -0.022
   97   HD21  LEU  13          HD21      LEU  13  -0.210  -9.427   1.596
   98   HD22  LEU  13          HD22      LEU  13   0.146  -7.956   0.693
   99   HD23  LEU  13          HD23      LEU  13   0.807  -8.173   2.313
  100    H    ASP  14           HN       ASP  14   2.167 -10.353  -3.837
  101    HA   ASP  14           HA       ASP  14   4.853  -9.315  -3.685
  102    HB2  ASP  14           HB2      ASP  14   3.947 -11.627  -4.639
  103    HB3  ASP  14           HB1      ASP  14   3.907 -10.739  -6.134
  104    H    ALA  15           HN       ALA  15   1.944  -8.622  -5.340
  105    HA   ALA  15           HA       ALA  15   3.176  -7.130  -7.466
  106    HB1  ALA  15           HB1      ALA  15   0.265  -7.071  -6.737
  107    HB2  ALA  15           HB2      ALA  15   0.987  -8.426  -7.602
  108    HB3  ALA  15           HB3      ALA  15   1.004  -6.812  -8.317
  109    H    VAL  16           HN       VAL  16   1.916  -6.453  -4.302
  110    HA   VAL  16           HA       VAL  16   1.655  -3.634  -4.726
  111    HB   VAL  16           HB       VAL  16   0.250  -4.572  -3.036
  112   HG11  VAL  16          HG11      VAL  16   1.573  -6.507  -2.407
  113   HG12  VAL  16          HG12      VAL  16   1.147  -5.573  -0.971
  114   HG13  VAL  16          HG13      VAL  16   2.777  -5.468  -1.642
  115   HG21  VAL  16          HG21      VAL  16   0.829  -3.161  -1.104
  116   HG22  VAL  16          HG22      VAL  16   1.011  -2.303  -2.634
  117   HG23  VAL  16          HG23      VAL  16   2.440  -2.906  -1.789
  118    H    MET  17           HN       MET  17   4.091  -5.731  -3.270
  119    HA   MET  17           HA       MET  17   5.612  -3.639  -2.151
  120    HB2  MET  17           HB2      MET  17   6.564  -6.386  -3.022
  121    HB3  MET  17           HB1      MET  17   7.408  -5.295  -1.942
  122    HG2  MET  17           HG2      MET  17   5.497  -5.439  -0.371
  123    HG3  MET  17           HG1      MET  17   4.786  -6.646  -1.432
  124    HE1  MET  17           HE1      MET  17   7.311  -8.313  -2.405
  125    HE2  MET  17           HE2      MET  17   5.792  -9.028  -1.870
  126    HE3  MET  17           HE3      MET  17   7.318  -9.598  -1.198
  127    H    ARG  18           HN       ARG  18   5.506  -4.986  -5.385
  128    HA   ARG  18           HA       ARG  18   7.962  -3.806  -6.220
  129    HB2  ARG  18           HB2      ARG  18   7.362  -4.448  -8.465
  130    HB3  ARG  18           HB1      ARG  18   6.999  -5.771  -7.365
  131    HG2  ARG  18           HG2      ARG  18   4.663  -5.209  -7.407
  132    HG3  ARG  18           HG1      ARG  18   4.997  -3.802  -8.423
  133    HD2  ARG  18           HD2      ARG  18   5.856  -5.285 -10.174
  134    HD3  ARG  18           HD1      ARG  18   5.532  -6.678  -9.147
  135    HE   ARG  18           HE       ARG  18   3.298  -4.947  -9.900
  136   HH11  ARG  18          HH11      ARG  18   4.980  -8.003 -10.198
  137   HH12  ARG  18          HH12      ARG  18   3.675  -8.797 -11.026
  138   HH21  ARG  18          HH21      ARG  18   1.573  -5.964 -11.019
  139   HH22  ARG  18          HH22      ARG  18   1.749  -7.627 -11.500
  140    H    VAL  19           HN       VAL  19   4.599  -2.772  -6.143
  141    HA   VAL  19           HA       VAL  19   5.042  -0.480  -7.832
  142    HB   VAL  19           HB       VAL  19   2.729  -1.262  -6.023
  143   HG11  VAL  19          HG11      VAL  19   2.909   1.090  -7.897
  144   HG12  VAL  19          HG12      VAL  19   2.879   1.170  -6.137
  145   HG13  VAL  19          HG13      VAL  19   1.470   0.569  -7.019
  146   HG21  VAL  19          HG21      VAL  19   2.964  -1.146  -9.035
  147   HG22  VAL  19          HG22      VAL  19   1.564  -1.687  -8.112
  148   HG23  VAL  19          HG23      VAL  19   3.063  -2.610  -8.061
  149    H    VAL  20           HN       VAL  20   4.871  -1.217  -4.434
  150    HA   VAL  20           HA       VAL  20   5.058   1.388  -3.408
  151    HB   VAL  20           HB       VAL  20   5.697  -1.342  -2.302
  152   HG11  VAL  20          HG11      VAL  20   6.237   1.277  -0.892
  153   HG12  VAL  20          HG12      VAL  20   7.452   0.099  -1.393
  154   HG13  VAL  20          HG13      VAL  20   6.278  -0.318  -0.141
  155   HG21  VAL  20          HG21      VAL  20   3.948  -0.666  -0.679
  156   HG22  VAL  20          HG22      VAL  20   3.377  -0.664  -2.347
  157   HG23  VAL  20          HG23      VAL  20   3.772   0.861  -1.549
  158    H    SER  21           HN       SER  21   7.556  -0.878  -4.512
  159    HA   SER  21           HA       SER  21   9.683   0.547  -3.221
  160    HB2  SER  21           HB2      SER  21   9.654  -1.612  -5.270
  161    HB3  SER  21           HB1      SER  21  11.134  -0.942  -4.637
  162    HG   SER  21           HG       SER  21   9.161  -2.497  -3.372
  163    H    GLU  22           HN       GLU  22   8.440   0.300  -6.473
  164    HA   GLU  22           HA       GLU  22  10.191   1.934  -7.830
  165    HB2  GLU  22           HB2      GLU  22   8.716   0.730  -9.154
  166    HB3  GLU  22           HB1      GLU  22   7.322   1.149  -8.160
  167    HG2  GLU  22           HG2      GLU  22   6.972   3.077  -9.196
  168    HG3  GLU  22           HG1      GLU  22   8.679   3.350  -9.531
  169    H    GLU  23           HN       GLU  23   7.225   2.807  -6.076
  170    HA   GLU  23           HA       GLU  23   7.497   5.587  -6.753
  171    HB2  GLU  23           HB2      GLU  23   5.633   4.105  -4.897
  172    HB3  GLU  23           HB1      GLU  23   5.572   5.847  -5.103
  173    HG2  GLU  23           HG2      GLU  23   5.133   3.771  -7.234
  174    HG3  GLU  23           HG1      GLU  23   3.904   4.774  -6.474
  175    H    SER  24           HN       SER  24   8.368   3.561  -4.032
  176    HA   SER  24           HA       SER  24   8.901   5.753  -2.257
  177    HB2  SER  24           HB2      SER  24   9.682   2.838  -2.085
  178    HB3  SER  24           HB1      SER  24   9.849   4.012  -0.782
  179    HG   SER  24           HG       SER  24   7.476   3.046  -1.979
  180    H    GLY  25           HN       GLY  25  10.787   3.736  -4.437
  181    HA2  GLY  25           HA2      GLY  25  12.730   4.712  -5.522
  182    HA3  GLY  25           HA1      GLY  25  13.045   5.607  -4.043
  183    H    ILE  26           HN       ILE  26  12.140   2.573  -3.118
  184    HA   ILE  26           HA       ILE  26  14.922   1.865  -2.602
  185    HB   ILE  26           HB       ILE  26  12.588   0.274  -1.589
  186   HG12  ILE  26          HG12      ILE  26  13.702   2.686  -0.136
  187   HG13  ILE  26          HG11      ILE  26  12.209   2.722  -1.075
  188   HG21  ILE  26          HG21      ILE  26  14.113  -0.131   0.310
  189   HG22  ILE  26          HG22      ILE  26  15.337   0.858  -0.487
  190   HG23  ILE  26          HG23      ILE  26  14.798  -0.648  -1.232
  191   HD11  ILE  26          HD11      ILE  26  11.283   0.975   0.388
  192   HD12  ILE  26          HD12      ILE  26  11.754   2.416   1.292
  193   HD13  ILE  26          HD13      ILE  26  12.779   0.982   1.319
  194    H    ALA  27           HN       ALA  27  15.653  -0.288  -2.879
  195    HA   ALA  27           HA       ALA  27  14.597  -1.643  -5.212
  196    HB1  ALA  27           HB1      ALA  27  17.041  -1.346  -4.836
  197    HB2  ALA  27           HB2      ALA  27  16.559  -3.029  -5.035
  198    HB3  ALA  27           HB3      ALA  27  16.906  -2.397  -3.426
  199    H    LEU  28           HN       LEU  28  13.707  -3.702  -5.183
  200    HA   LEU  28           HA       LEU  28  11.913  -4.199  -3.111
  201    HB2  LEU  28           HB2      LEU  28  11.602  -4.986  -5.387
  202    HB3  LEU  28           HB1      LEU  28  12.979  -6.056  -5.238
  203    HG   LEU  28           HG       LEU  28  11.724  -7.323  -3.485
  204   HD11  LEU  28          HD11      LEU  28   9.532  -5.430  -4.299
  205   HD12  LEU  28          HD12      LEU  28  10.133  -5.776  -2.675
  206   HD13  LEU  28          HD13      LEU  28   9.215  -6.995  -3.557
  207   HD21  LEU  28          HD21      LEU  28  10.475  -7.092  -6.217
  208   HD22  LEU  28          HD22      LEU  28  10.252  -8.441  -5.102
  209   HD23  LEU  28          HD23      LEU  28  11.849  -8.103  -5.770
  210    H    GLU  29           HN       GLU  29  15.208  -5.276  -3.520
  211    HA   GLU  29           HA       GLU  29  15.084  -7.534  -1.797
  212    HB2  GLU  29           HB2      GLU  29  17.521  -5.892  -2.463
  213    HB3  GLU  29           HB1      GLU  29  17.469  -7.561  -1.915
  214    HG2  GLU  29           HG2      GLU  29  16.253  -6.638  -4.489
  215    HG3  GLU  29           HG1      GLU  29  17.895  -7.273  -4.358
  216    H    GLU  30           HN       GLU  30  15.070  -4.200  -1.137
  217    HA   GLU  30           HA       GLU  30  16.066  -4.683   1.600
  218    HB2  GLU  30           HB2      GLU  30  15.956  -2.037   0.144
  219    HB3  GLU  30           HB1      GLU  30  16.688  -2.350   1.712
  220    HG2  GLU  30           HG2      GLU  30  18.231  -3.962   0.448
  221    HG3  GLU  30           HG1      GLU  30  17.655  -3.145  -1.008
  222    H    LEU  31           HN       LEU  31  13.256  -4.478   0.011
  223    HA   LEU  31           HA       LEU  31  11.895  -2.587   1.694
  224    HB2  LEU  31           HB2      LEU  31  11.172  -3.061  -0.637
  225    HB3  LEU  31           HB1      LEU  31  10.714  -4.684  -0.140
  226    HG   LEU  31           HG       LEU  31   9.092  -3.672   1.470
  227   HD11  LEU  31          HD11      LEU  31   9.792  -1.115   0.041
  228   HD12  LEU  31          HD12      LEU  31  10.182  -1.505   1.715
  229   HD13  LEU  31          HD13      LEU  31   8.496  -1.328   1.220
  230   HD21  LEU  31          HD21      LEU  31   7.461  -3.006  -0.242
  231   HD22  LEU  31          HD22      LEU  31   8.326  -4.481  -0.672
  232   HD23  LEU  31          HD23      LEU  31   8.758  -2.951  -1.436
  233    H    THR  32           HN       THR  32  12.008  -3.156   3.781
  234    HA   THR  32           HA       THR  32  10.729  -5.701   4.513
  235    HB   THR  32           HB       THR  32  12.093  -5.854   6.476
  236    HG1  THR  32           HG1      THR  32  12.871  -4.133   7.393
  237   HG21  THR  32          HG21      THR  32  13.840  -5.011   4.154
  238   HG22  THR  32          HG22      THR  32  13.244  -6.639   4.487
  239   HG23  THR  32          HG23      THR  32  14.399  -5.882   5.582
  240    H    ASP  33           HN       ASP  33   9.585  -5.564   6.661
  241    HA   ASP  33           HA       ASP  33   7.757  -3.377   6.545
  242    HB2  ASP  33           HB2      ASP  33   6.708  -4.455   8.531
  243    HB3  ASP  33           HB1      ASP  33   6.934  -5.545   7.169
  244    H    ASP  34           HN       ASP  34  10.771  -3.493   7.854
  245    HA   ASP  34           HA       ASP  34  10.415  -2.031  10.274
  246    HB2  ASP  34           HB2      ASP  34  12.857  -2.085   8.480
  247    HB3  ASP  34           HB1      ASP  34  12.817  -1.640  10.185
  248    H    SER  35           HN       SER  35  10.357  -1.161   6.945
  249    HA   SER  35           HA       SER  35  11.409   1.500   7.265
  250    HB2  SER  35           HB2      SER  35  11.677   0.246   5.163
  251    HB3  SER  35           HB1      SER  35   9.930   0.273   4.930
  252    HG   SER  35           HG       SER  35  11.170   1.947   3.807
  253    H    ASN  36           HN       ASN  36  10.266   3.437   6.701
  254    HA   ASN  36           HA       ASN  36   7.399   3.370   7.399
  255    HB2  ASN  36           HB2      ASN  36   8.593   4.164   9.374
  256    HB3  ASN  36           HB1      ASN  36   9.501   5.323   8.413
  257   HD21  ASN  36          HD21      ASN  36   6.116   4.790   7.821
  258   HD22  ASN  36          HD22      ASN  36   5.581   6.300   8.468
  259    H    PHE  37           HN       PHE  37   6.236   4.162   5.757
  260    HA   PHE  37           HA       PHE  37   7.206   5.230   3.408
  261    HB2  PHE  37           HB2      PHE  37   4.530   5.401   4.758
  262    HB3  PHE  37           HB1      PHE  37   4.816   6.230   3.227
  263    HD1  PHE  37           HD1      PHE  37   5.947   4.700   1.365
  264    HD2  PHE  37           HD2      PHE  37   3.731   3.297   4.708
  265    HE1  PHE  37           HE1      PHE  37   5.481   2.596   0.167
  266    HE2  PHE  37           HE2      PHE  37   3.261   1.207   3.533
  267    HZ   PHE  37           HZ       PHE  37   4.268   0.865   1.173
  268    H    ALA  38           HN       ALA  38   5.903   6.989   6.203
  269    HA   ALA  38           HA       ALA  38   6.247   9.565   5.084
  270    HB1  ALA  38           HB1      ALA  38   6.069   8.798   7.990
  271    HB2  ALA  38           HB2      ALA  38   4.689   9.030   6.916
  272    HB3  ALA  38           HB3      ALA  38   5.755  10.387   7.292
  273    H    ASP  39           HN       ASP  39   8.370   7.456   6.935
  274    HA   ASP  39           HA       ASP  39  10.268   9.494   7.584
  275    HB2  ASP  39           HB2      ASP  39  10.049   7.422   8.926
  276    HB3  ASP  39           HB1      ASP  39  10.654   6.494   7.556
  277    H    MET  40           HN       MET  40   9.719   7.394   4.912
  278    HA   MET  40           HA       MET  40  12.335   7.767   3.746
  279    HB2  MET  40           HB2      MET  40   9.784   6.691   2.542
  280    HB3  MET  40           HB1      MET  40  11.358   6.674   1.757
  281    HG2  MET  40           HG2      MET  40  12.219   5.250   3.543
  282    HG3  MET  40           HG1      MET  40  10.624   5.246   4.301
  283    HE1  MET  40           HE1      MET  40   8.439   4.227   3.104
  284    HE2  MET  40           HE2      MET  40   8.481   3.425   1.532
  285    HE3  MET  40           HE3      MET  40   8.761   5.162   1.644
  286    H    GLY  41           HN       GLY  41   9.307   9.376   3.762
  287    HA2  GLY  41           HA2      GLY  41   9.183  11.690   3.068
  288    HA3  GLY  41           HA1      GLY  41  10.394  11.341   1.840
  289    H    ILE  42           HN       ILE  42   7.762   9.114   2.316
  290    HA   ILE  42           HA       ILE  42   6.820   9.401  -0.339
  291    HB   ILE  42           HB       ILE  42   5.528   8.126   2.089
  292   HG12  ILE  42          HG12      ILE  42   7.631   7.124   1.175
  293   HG13  ILE  42          HG11      ILE  42   6.239   6.046   1.105
  294   HG21  ILE  42          HG21      ILE  42   3.965   7.063   0.519
  295   HG22  ILE  42          HG22      ILE  42   4.623   8.051  -0.788
  296   HG23  ILE  42          HG23      ILE  42   3.782   8.818   0.558
  297   HD11  ILE  42          HD11      ILE  42   7.341   7.650  -1.189
  298   HD12  ILE  42          HD12      ILE  42   5.978   6.532  -1.263
  299   HD13  ILE  42          HD13      ILE  42   7.599   5.928  -0.913
  300    H    ASP  43           HN       ASP  43   5.936  11.189  -1.050
  301    HA   ASP  43           HA       ASP  43   4.630  13.055   0.742
  302    HB2  ASP  43           HB2      ASP  43   6.194  13.453  -1.369
  303    HB3  ASP  43           HB1      ASP  43   4.660  13.402  -2.226
  304    H    SER  44           HN       SER  44   2.610  14.160  -0.261
  305    HA   SER  44           HA       SER  44   0.454  12.363  -0.210
  306    HB2  SER  44           HB2      SER  44   0.178  14.671   0.424
  307    HB3  SER  44           HB1      SER  44   0.642  15.218  -1.186
  308    H    LEU  45           HN       LEU  45   2.186  13.925  -2.841
  309    HA   LEU  45           HA       LEU  45   0.635  13.128  -5.013
  310    HB2  LEU  45           HB2      LEU  45   2.648  14.716  -4.943
  311    HB3  LEU  45           HB1      LEU  45   3.659  13.286  -5.010
  312    HG   LEU  45           HG       LEU  45   3.312  14.517  -7.185
  313   HD11  LEU  45          HD11      LEU  45   3.076  12.495  -8.529
  314   HD12  LEU  45          HD12      LEU  45   2.489  11.625  -7.111
  315   HD13  LEU  45          HD13      LEU  45   4.142  12.237  -7.147
  316   HD21  LEU  45          HD21      LEU  45   0.953  15.032  -6.939
  317   HD22  LEU  45          HD22      LEU  45   0.560  13.313  -6.964
  318   HD23  LEU  45          HD23      LEU  45   1.233  14.083  -8.399
  319    H    SER  46           HN       SER  46   3.525  11.511  -3.677
  320    HA   SER  46           HA       SER  46   3.454   9.267  -5.334
  321    HB2  SER  46           HB2      SER  46   4.468   9.255  -2.490
  322    HB3  SER  46           HB1      SER  46   5.085   8.353  -3.876
  323    HG   SER  46           HG       SER  46   6.272   9.999  -4.398
  324    H    SER  47           HN       SER  47   2.055   9.811  -2.141
  325    HA   SER  47           HA       SER  47   1.165   7.222  -1.615
  326    HB2  SER  47           HB2      SER  47  -0.047   9.860  -0.760
  327    HB3  SER  47           HB1      SER  47  -0.384   8.292  -0.022
  328    HG   SER  47           HG       SER  47   2.002   9.806   0.015
  329    H    MET  48           HN       MET  48  -0.361   9.854  -3.384
  330    HA   MET  48           HA       MET  48  -2.886   8.539  -3.678
  331    HB2  MET  48           HB2      MET  48  -2.462  11.034  -3.848
  332    HB3  MET  48           HB1      MET  48  -1.777  10.722  -5.434
  333    HG2  MET  48           HG2      MET  48  -4.113  11.446  -5.583
  334    HG3  MET  48           HG1      MET  48  -3.878   9.817  -6.216
  335    HE1  MET  48           HE1      MET  48  -6.508   9.470  -6.153
  336    HE2  MET  48           HE2      MET  48  -6.742  11.080  -5.469
  337    HE3  MET  48           HE3      MET  48  -7.492   9.680  -4.705
  338    H    VAL  49           HN       VAL  49   0.034   8.817  -5.561
  339    HA   VAL  49           HA       VAL  49  -0.897   7.658  -7.943
  340    HB   VAL  49           HB       VAL  49   1.864   7.909  -6.720
  341   HG11  VAL  49          HG11      VAL  49   1.871   5.900  -8.081
  342   HG12  VAL  49          HG12      VAL  49   2.786   7.179  -8.877
  343   HG13  VAL  49          HG13      VAL  49   1.159   6.783  -9.434
  344   HG21  VAL  49          HG21      VAL  49   0.807   9.989  -7.531
  345   HG22  VAL  49          HG22      VAL  49   0.608   9.260  -9.125
  346   HG23  VAL  49          HG23      VAL  49   2.225   9.557  -8.487
  347    H    ILE  50           HN       ILE  50   0.928   6.258  -5.216
  348    HA   ILE  50           HA       ILE  50   1.090   3.652  -6.043
  349    HB   ILE  50           HB       ILE  50   0.636   4.648  -3.229
  350   HG12  ILE  50          HG12      ILE  50   3.192   4.039  -4.734
  351   HG13  ILE  50          HG11      ILE  50   2.601   5.647  -4.325
  352   HG21  ILE  50          HG21      ILE  50   1.651   2.565  -2.508
  353   HG22  ILE  50          HG22      ILE  50   1.780   2.033  -4.186
  354   HG23  ILE  50          HG23      ILE  50   0.192   2.263  -3.451
  355   HD11  ILE  50          HD11      ILE  50   3.408   3.522  -2.352
  356   HD12  ILE  50          HD12      ILE  50   2.841   5.148  -1.961
  357   HD13  ILE  50          HD13      ILE  50   4.367   4.931  -2.819
  358    H    GLY  51           HN       GLY  51  -1.550   5.082  -4.107
  359    HA2  GLY  51           HA2      GLY  51  -3.126   2.759  -3.948
  360    HA3  GLY  51           HA1      GLY  51  -3.719   4.400  -3.763
  361    H    SER  52           HN       SER  52  -3.035   5.331  -6.366
  362    HA   SER  52           HA       SER  52  -5.276   4.468  -7.860
  363    HB2  SER  52           HB2      SER  52  -3.806   6.664  -8.103
  364    HB3  SER  52           HB1      SER  52  -2.950   5.680  -9.301
  365    HG   SER  52           HG       SER  52  -4.882   5.389 -10.411
  366    H    ARG  53           HN       ARG  53  -1.845   3.616  -8.077
  367    HA   ARG  53           HA       ARG  53  -2.076   2.082 -10.444
  368    HB2  ARG  53           HB2      ARG  53   0.007   1.584  -8.333
  369    HB3  ARG  53           HB1      ARG  53   0.139   1.362 -10.071
  370    HG2  ARG  53           HG2      ARG  53  -0.226   3.924 -10.169
  371    HG3  ARG  53           HG1      ARG  53   0.254   3.874  -8.475
  372    HD2  ARG  53           HD2      ARG  53   2.346   4.020  -9.264
  373    HD3  ARG  53           HD1      ARG  53   2.143   2.304  -9.618
  374    HE   ARG  53           HE       ARG  53   1.169   3.770 -11.800
  375   HH11  ARG  53          HH11      ARG  53   4.194   3.115 -10.162
  376   HH12  ARG  53          HH12      ARG  53   5.157   3.207 -11.597
  377   HH21  ARG  53          HH21      ARG  53   2.457   3.948 -13.712
  378   HH22  ARG  53          HH22      ARG  53   4.178   3.734 -13.609
  379    H    PHE  54           HN       PHE  54  -2.626   1.373  -7.084
  380    HA   PHE  54           HA       PHE  54  -2.634  -1.433  -7.107
  381    HB2  PHE  54           HB2      PHE  54  -4.308   0.589  -5.601
  382    HB3  PHE  54           HB1      PHE  54  -4.477  -1.140  -5.350
  383    HD1  PHE  54           HD1      PHE  54  -1.214  -0.894  -6.054
  384    HD2  PHE  54           HD2      PHE  54  -3.917   0.268  -2.978
  385    HE1  PHE  54           HE1      PHE  54   0.655  -0.802  -4.452
  386    HE2  PHE  54           HE2      PHE  54  -2.051   0.355  -1.371
  387    HZ   PHE  54           HZ       PHE  54   0.076  -0.251  -1.937
  388    H    ARG  55           HN       ARG  55  -5.074   0.916  -8.086
  389    HA   ARG  55           HA       ARG  55  -7.074  -1.076  -8.604
  390    HB2  ARG  55           HB2      ARG  55  -6.958   1.845  -9.365
  391    HB3  ARG  55           HB1      ARG  55  -8.383   0.816  -9.456
  392    HG2  ARG  55           HG2      ARG  55  -8.274   0.506  -7.015
  393    HG3  ARG  55           HG1      ARG  55  -6.897   1.607  -6.957
  394    HD2  ARG  55           HD2      ARG  55  -9.148   2.627  -6.430
  395    HD3  ARG  55           HD1      ARG  55  -8.206   3.439  -7.681
  396    HE   ARG  55           HE       ARG  55 -10.220   1.477  -8.508
  397   HH11  ARG  55          HH11      ARG  55  -9.261   4.824  -8.197
  398   HH12  ARG  55          HH12      ARG  55 -10.388   5.403  -9.380
  399   HH21  ARG  55          HH21      ARG  55 -11.686   2.207 -10.077
  400   HH22  ARG  55          HH22      ARG  55 -11.770   3.896 -10.471
  401    H    GLU  56           HN       GLU  56  -4.564   0.510 -10.395
  402    HA   GLU  56           HA       GLU  56  -5.691  -0.075 -12.975
  403    HB2  GLU  56           HB2      GLU  56  -2.962   0.922 -12.156
  404    HB3  GLU  56           HB1      GLU  56  -3.481   0.727 -13.824
  405    HG2  GLU  56           HG2      GLU  56  -5.252   2.363 -13.474
  406    HG3  GLU  56           HG1      GLU  56  -4.750   2.548 -11.793
  407    H    ASP  57           HN       ASP  57  -2.829  -1.229 -11.203
  408    HA   ASP  57           HA       ASP  57  -2.404  -3.250 -13.251
  409    HB2  ASP  57           HB2      ASP  57  -0.509  -1.934 -12.350
  410    HB3  ASP  57           HB1      ASP  57  -0.788  -2.645 -10.765
  411    H    LEU  58           HN       LEU  58  -3.426  -3.100  -9.888
  412    HA   LEU  58           HA       LEU  58  -3.282  -6.020  -9.700
  413    HB2  LEU  58           HB2      LEU  58  -3.502  -3.857  -7.623
  414    HB3  LEU  58           HB1      LEU  58  -3.809  -5.538  -7.232
  415    HG   LEU  58           HG       LEU  58  -1.510  -6.108  -7.918
  416   HD11  LEU  58          HD11      LEU  58   0.101  -4.389  -8.420
  417   HD12  LEU  58          HD12      LEU  58  -1.123  -3.135  -8.211
  418   HD13  LEU  58          HD13      LEU  58  -1.249  -4.278  -9.549
  419   HD21  LEU  58          HD21      LEU  58  -0.388  -5.088  -6.015
  420   HD22  LEU  58          HD22      LEU  58  -2.028  -5.577  -5.586
  421   HD23  LEU  58          HD23      LEU  58  -1.667  -3.877  -5.896
  422    H    GLY  59           HN       GLY  59  -5.567  -3.435  -9.880
  423    HA2  GLY  59           HA2      GLY  59  -7.864  -3.510 -10.139
  424    HA3  GLY  59           HA1      GLY  59  -7.762  -5.266 -10.111
  425    H    LEU  60           HN       LEU  60  -6.656  -2.977  -7.652
  426    HA   LEU  60           HA       LEU  60  -8.120  -4.413  -5.627
  427    HB2  LEU  60           HB2      LEU  60  -6.133  -2.184  -5.620
  428    HB3  LEU  60           HB1      LEU  60  -7.109  -2.470  -4.191
  429    HG   LEU  60           HG       LEU  60  -5.330  -4.517  -5.498
  430   HD11  LEU  60          HD11      LEU  60  -4.956  -2.937  -2.960
  431   HD12  LEU  60          HD12      LEU  60  -4.055  -2.711  -4.459
  432   HD13  LEU  60          HD13      LEU  60  -3.894  -4.214  -3.551
  433   HD21  LEU  60          HD21      LEU  60  -6.953  -4.563  -2.959
  434   HD22  LEU  60          HD22      LEU  60  -5.765  -5.775  -3.416
  435   HD23  LEU  60          HD23      LEU  60  -7.209  -5.550  -4.399
  436    H    ASP  61           HN       ASP  61  -9.947  -3.802  -4.600
  437    HA   ASP  61           HA       ASP  61 -11.287  -1.372  -5.480
  438    HB2  ASP  61           HB2      ASP  61 -12.243  -3.686  -3.777
  439    HB3  ASP  61           HB1      ASP  61 -13.218  -2.265  -4.146
  440    H    LEU  62           HN       LEU  62 -10.040   0.178  -4.417
  441    HA   LEU  62           HA       LEU  62 -10.305   0.158  -1.484
  442    HB2  LEU  62           HB2      LEU  62  -8.067   0.802  -3.222
  443    HB3  LEU  62           HB1      LEU  62  -8.441   2.131  -2.143
  444    HG   LEU  62           HG       LEU  62  -6.764   0.810  -1.087
  445   HD11  LEU  62          HD11      LEU  62  -8.533   1.639   0.374
  446   HD12  LEU  62          HD12      LEU  62  -7.864   0.117   0.964
  447   HD13  LEU  62          HD13      LEU  62  -9.426   0.134   0.145
  448   HD21  LEU  62          HD21      LEU  62  -7.113  -1.257  -2.386
  449   HD22  LEU  62          HD22      LEU  62  -8.548  -1.594  -1.418
  450   HD23  LEU  62          HD23      LEU  62  -6.961  -1.550  -0.655
  451    H    GLY  63           HN       GLY  63  -9.951   2.521  -4.126
  452    HA2  GLY  63           HA2      GLY  63 -12.151   3.795  -4.481
  453    HA3  GLY  63           HA1      GLY  63 -11.958   4.180  -2.780
  454    HA   PRO  64           HA       PRO  64  -9.550   7.259  -5.344
  455    HB2  PRO  64           HB2      PRO  64 -11.290   9.258  -5.678
  456    HB3  PRO  64           HB1      PRO  64 -11.309   7.829  -6.728
  457    HG2  PRO  64           HG2      PRO  64 -13.089   8.511  -4.432
  458    HG3  PRO  64           HG1      PRO  64 -13.510   7.777  -5.987
  459    HD2  PRO  64           HD2      PRO  64 -13.111   6.394  -3.601
  460    HD3  PRO  64           HD1      PRO  64 -13.059   5.680  -5.222
  461    H    GLU  65           HN       GLU  65 -10.690   6.839  -2.416
  462    HA   GLU  65           HA       GLU  65  -9.845   9.466  -1.391
  463    HB2  GLU  65           HB2      GLU  65 -11.722   7.536  -0.011
  464    HB3  GLU  65           HB1      GLU  65 -11.377   9.210   0.438
  465    HG2  GLU  65           HG2      GLU  65 -12.399   9.971  -1.661
  466    HG3  GLU  65           HG1      GLU  65 -12.788   8.301  -2.068
  467    H    PHE  66           HN       PHE  66  -8.614   6.600  -1.870
  468    HA   PHE  66           HA       PHE  66  -7.539   6.162   0.796
  469    HB2  PHE  66           HB2      PHE  66  -8.325   4.200  -0.431
  470    HB3  PHE  66           HB1      PHE  66  -7.256   4.582  -1.769
  471    HD1  PHE  66           HD2      PHE  66  -7.268   3.570   1.810
  472    HD2  PHE  66           HD1      PHE  66  -5.087   3.794  -1.841
  473    HE1  PHE  66           HE2      PHE  66  -5.496   2.178   2.781
  474    HE2  PHE  66           HE1      PHE  66  -3.321   2.394  -0.877
  475    HZ   PHE  66           HZ       PHE  66  -3.519   1.583   1.439
  476    H    SER  67           HN       SER  67  -5.775   7.222   1.358
  477    HA   SER  67           HA       SER  67  -3.592   7.474  -0.577
  478    HB2  SER  67           HB2      SER  67  -4.502   9.714   1.250
  479    HB3  SER  67           HB1      SER  67  -3.139   9.769   0.136
  480    HG   SER  67           HG       SER  67  -5.190   9.032  -1.311
  481    H    LEU  68           HN       LEU  68  -1.791   6.652   0.218
  482    HA   LEU  68           HA       LEU  68  -1.616   5.429   2.710
  483    HB2  LEU  68           HB2      LEU  68   0.645   6.355   0.948
  484    HB3  LEU  68           HB1      LEU  68   0.794   5.209   2.261
  485    HG   LEU  68           HG       LEU  68  -0.693   4.820  -0.327
  486   HD11  LEU  68          HD11      LEU  68   1.773   3.604   0.889
  487   HD12  LEU  68          HD12      LEU  68   1.636   4.507  -0.623
  488   HD13  LEU  68          HD13      LEU  68   0.917   2.899  -0.484
  489   HD21  LEU  68          HD21      LEU  68  -1.926   3.860   1.568
  490   HD22  LEU  68          HD22      LEU  68  -0.485   2.949   2.020
  491   HD23  LEU  68          HD23      LEU  68  -1.288   2.629   0.481
  492    H    PHE  69           HN       PHE  69  -0.461   8.582   1.686
  493    HA   PHE  69           HA       PHE  69   1.236   9.211   3.780
  494    HB2  PHE  69           HB2      PHE  69   0.934  10.437   1.610
  495    HB3  PHE  69           HB1      PHE  69  -0.537  11.145   2.260
  496    HD1  PHE  69           HD1      PHE  69   2.482  10.596   4.301
  497    HD2  PHE  69           HD2      PHE  69   0.193  13.374   2.036
  498    HE1  PHE  69           HE1      PHE  69   3.802  12.441   5.251
  499    HE2  PHE  69           HE2      PHE  69   1.502  15.235   2.991
  500    HZ   PHE  69           HZ       PHE  69   3.313  14.762   4.596
  501    H    ILE  70           HN       ILE  70  -2.147   8.819   3.938
  502    HA   ILE  70           HA       ILE  70  -2.206  10.318   6.481
  503    HB   ILE  70           HB       ILE  70  -4.525   9.912   4.554
  504   HG12  ILE  70          HG12      ILE  70  -3.120  12.418   5.516
  505   HG13  ILE  70          HG11      ILE  70  -2.967  11.715   3.912
  506   HG21  ILE  70          HG21      ILE  70  -5.262   9.681   6.875
  507   HG22  ILE  70          HG22      ILE  70  -5.883  11.158   6.137
  508   HG23  ILE  70          HG23      ILE  70  -4.529  11.239   7.263
  509   HD11  ILE  70          HD11      ILE  70  -5.481  12.867   5.101
  510   HD12  ILE  70          HD12      ILE  70  -5.345  12.126   3.508
  511   HD13  ILE  70          HD13      ILE  70  -4.466  13.613   3.865
  512    H    ASP  71           HN       ASP  71  -3.215   7.389   4.778
  513    HA   ASP  71           HA       ASP  71  -4.433   6.414   7.275
  514    HB2  ASP  71           HB2      ASP  71  -5.811   6.640   5.129
  515    HB3  ASP  71           HB1      ASP  71  -4.904   5.264   4.520
  516    H    CYS  72           HN       CYS  72  -1.516   6.197   6.013
  517    HA   CYS  72           HA       CYS  72  -1.099   3.490   6.942
  518    HB2  CYS  72           HB2      CYS  72  -0.456   4.325   4.110
  519    HB3  CYS  72           HB1      CYS  72   0.202   2.883   4.879
  520    HG   CYS  72           HG       CYS  72  -3.051   2.824   5.232
  521    H    THR  73           HN       THR  73   0.894   3.210   7.797
  522    HA   THR  73           HA       THR  73   2.549   5.647   7.829
  523    HB   THR  73           HB       THR  73   3.134   4.966  10.162
  524    HG1  THR  73           HG1      THR  73   1.059   3.321  10.632
  525   HG21  THR  73          HG21      THR  73   1.406   6.601   9.893
  526   HG22  THR  73          HG22      THR  73   0.852   5.458  11.118
  527   HG23  THR  73          HG23      THR  73   0.221   5.365   9.469
  528    H    THR  74           HN       THR  74   3.186   2.318   8.986
  529    HA   THR  74           HA       THR  74   5.773   2.382   7.675
  530    HB   THR  74           HB       THR  74   6.131   0.167   8.685
  531    HG1  THR  74           HG1      THR  74   4.529  -0.861   9.785
  532   HG21  THR  74          HG21      THR  74   6.055   0.860  11.045
  533   HG22  THR  74          HG22      THR  74   4.995   2.200  10.609
  534   HG23  THR  74          HG23      THR  74   6.652   2.156  10.009
  535    H    VAL  75           HN       VAL  75   6.179  -0.213   6.791
  536    HA   VAL  75           HA       VAL  75   4.765  -0.031   4.274
  537    HB   VAL  75           HB       VAL  75   6.524  -2.364   4.777
  538   HG11  VAL  75          HG11      VAL  75   7.378  -1.731   2.547
  539   HG12  VAL  75          HG12      VAL  75   6.284  -0.349   2.553
  540   HG13  VAL  75          HG13      VAL  75   5.633  -1.989   2.578
  541   HG21  VAL  75          HG21      VAL  75   7.612   0.442   4.714
  542   HG22  VAL  75          HG22      VAL  75   8.579  -1.013   4.464
  543   HG23  VAL  75          HG23      VAL  75   7.776  -0.741   6.012
  544    H    ARG  76           HN       ARG  76   5.085  -2.208   6.996
  545    HA   ARG  76           HA       ARG  76   3.416  -4.245   6.023
  546    HB2  ARG  76           HB2      ARG  76   5.100  -4.409   7.870
  547    HB3  ARG  76           HB1      ARG  76   3.954  -3.576   8.910
  548    HG2  ARG  76           HG2      ARG  76   2.753  -5.862   7.574
  549    HG3  ARG  76           HG1      ARG  76   4.190  -6.325   8.480
  550    HD2  ARG  76           HD2      ARG  76   2.231  -6.567   9.883
  551    HD3  ARG  76           HD1      ARG  76   3.239  -5.236  10.481
  552    HE   ARG  76           HE       ARG  76   0.966  -4.638   8.723
  553   HH11  ARG  76          HH11      ARG  76   2.548  -4.398  11.846
  554   HH12  ARG  76          HH12      ARG  76   1.399  -3.255  12.480
  555   HH21  ARG  76          HH21      ARG  76  -0.550  -3.122   9.591
  556   HH22  ARG  76          HH22      ARG  76  -0.340  -2.543  11.213
  557    H    ALA  77           HN       ALA  77   2.799  -1.193   7.551
  558    HA   ALA  77           HA       ALA  77   0.180  -1.589   8.459
  559    HB1  ALA  77           HB1      ALA  77   1.373   0.925   7.277
  560    HB2  ALA  77           HB2      ALA  77   1.474   0.429   8.966
  561    HB3  ALA  77           HB3      ALA  77  -0.089   0.836   8.258
  562    H    LEU  78           HN       LEU  78   1.446  -0.986   5.243
  563    HA   LEU  78           HA       LEU  78  -1.078  -0.595   3.963
  564    HB2  LEU  78           HB2      LEU  78   1.533  -0.278   3.234
  565    HB3  LEU  78           HB1      LEU  78   1.150  -1.779   2.426
  566    HG   LEU  78           HG       LEU  78  -0.487   0.715   2.061
  567   HD11  LEU  78          HD11      LEU  78   1.740   1.269   1.411
  568   HD12  LEU  78          HD12      LEU  78   0.810   0.959  -0.058
  569   HD13  LEU  78          HD13      LEU  78   1.929  -0.260   0.557
  570   HD21  LEU  78          HD21      LEU  78  -0.196  -1.802   0.421
  571   HD22  LEU  78          HD22      LEU  78  -1.114  -0.377  -0.054
  572   HD23  LEU  78          HD23      LEU  78  -1.613  -1.311   1.359
  573    H    LYS  79           HN       LYS  79   1.144  -3.246   4.361
  574    HA   LYS  79           HA       LYS  79  -0.032  -5.281   2.897
  575    HB2  LYS  79           HB2      LYS  79   1.396  -5.700   5.514
  576    HB3  LYS  79           HB1      LYS  79   1.409  -6.732   4.084
  577    HG2  LYS  79           HG2      LYS  79   2.536  -3.946   4.062
  578    HG3  LYS  79           HG1      LYS  79   3.506  -5.338   4.519
  579    HD2  LYS  79           HD2      LYS  79   3.256  -6.313   2.376
  580    HD3  LYS  79           HD1      LYS  79   1.976  -5.179   1.942
  581    HE2  LYS  79           HE2      LYS  79   4.814  -4.370   2.527
  582    HE3  LYS  79           HE1      LYS  79   4.207  -4.696   0.903
  583    HZ1  LYS  79           HZ1      LYS  79   2.552  -2.926   1.273
  584    HZ2  LYS  79           HZ2      LYS  79   4.141  -2.353   1.339
  585    HZ3  LYS  79           HZ3      LYS  79   3.267  -2.585   2.772
  586    H    ASP  80           HN       ASP  80  -0.411  -4.536   6.338
  587    HA   ASP  80           HA       ASP  80  -2.244  -6.540   6.985
  588    HB2  ASP  80           HB2      ASP  80  -1.009  -5.172   8.631
  589    HB3  ASP  80           HB1      ASP  80  -1.971  -3.773   8.174
  590    H    PHE  81           HN       PHE  81  -2.712  -3.266   5.849
  591    HA   PHE  81           HA       PHE  81  -5.500  -3.137   6.167
  592    HB2  PHE  81           HB2      PHE  81  -3.868  -1.206   5.822
  593    HB3  PHE  81           HB1      PHE  81  -3.910  -1.603   4.105
  594    HD1  PHE  81           HD1      PHE  81  -6.103  -0.724   6.961
  595    HD2  PHE  81           HD2      PHE  81  -5.548  -0.684   2.748
  596    HE1  PHE  81           HE1      PHE  81  -8.124   0.653   6.722
  597    HE2  PHE  81           HE2      PHE  81  -7.578   0.693   2.494
  598    HZ   PHE  81           HZ       PHE  81  -8.869   1.364   4.481
  599    H    MET  82           HN       MET  82  -3.474  -4.385   3.613
  600    HA   MET  82           HA       MET  82  -5.353  -4.525   1.525
  601    HB2  MET  82           HB2      MET  82  -3.174  -6.530   2.019
  602    HB3  MET  82           HB1      MET  82  -3.888  -6.078   0.477
  603    HG2  MET  82           HG2      MET  82  -2.973  -3.778   0.817
  604    HG3  MET  82           HG1      MET  82  -2.115  -4.399   2.227
  605    HE1  MET  82           HE1      MET  82  -1.134  -4.992  -2.169
  606    HE2  MET  82           HE2      MET  82  -1.791  -3.548  -1.395
  607    HE3  MET  82           HE3      MET  82  -2.784  -5.002  -1.536
  608    H    LEU  83           HN       LEU  83  -4.600  -6.828   4.112
  609    HA   LEU  83           HA       LEU  83  -6.651  -8.643   3.227
  610    HB2  LEU  83           HB2      LEU  83  -4.951  -8.606   5.729
  611    HB3  LEU  83           HB1      LEU  83  -6.123  -9.856   5.377
  612    HG   LEU  83           HG       LEU  83  -4.765 -10.331   3.263
  613   HD11  LEU  83          HD11      LEU  83  -2.715  -8.691   4.728
  614   HD12  LEU  83          HD12      LEU  83  -3.510  -8.246   3.218
  615   HD13  LEU  83          HD13      LEU  83  -2.444  -9.649   3.272
  616   HD21  LEU  83          HD21      LEU  83  -3.494 -10.792   5.965
  617   HD22  LEU  83          HD22      LEU  83  -3.096 -11.669   4.488
  618   HD23  LEU  83          HD23      LEU  83  -4.705 -11.818   5.194
  619    H    GLY  84           HN       GLY  84  -6.233  -6.336   5.888
  620    HA2  GLY  84           HA2      GLY  84  -9.136  -6.303   6.181
  621    HA3  GLY  84           HA1      GLY  84  -8.200  -6.790   7.584
  622    H    SER  85           HN       SER  85  -9.959  -4.465   7.140
  623    HA   SER  85           HA       SER  85  -8.280  -2.126   7.122
  624    HB2  SER  85           HB2      SER  85 -10.654  -2.178   6.326
  625    HB3  SER  85           HB1      SER  85 -11.159  -2.429   7.998
  626    HG   SER  85           HG       SER  85 -10.142  -0.415   8.490
  627    H    GLY  86           HN       GLY  86  -7.224  -3.790   8.999
  628    HA2  GLY  86           HA2      GLY  86  -6.460  -3.518  11.213
  629    HA3  GLY  86           HA1      GLY  86  -7.848  -2.481  11.538
  630    H    ASP  87           HN       ASP  87  -8.253  -5.487   9.874
  631    HA   ASP  87           HA       ASP  87 -10.114  -6.346  11.915
  632    HB2  ASP  87           HB2      ASP  87 -10.662  -6.490   9.480
  633    HB3  ASP  87           HB1      ASP  87  -9.392  -7.697   9.303
  634    H    ALA  88           HN       ALA  88  -8.364  -6.599  13.475
  635    HA   ALA  88           HA       ALA  88  -7.483  -9.352  13.558
  636    HB1  ALA  88           HB1      ALA  88  -5.612  -8.257  12.418
  637    HB2  ALA  88           HB2      ALA  88  -5.145  -8.792  14.033
  638    HB3  ALA  88           HB3      ALA  88  -5.489  -7.089  13.733
  639    H    GLY  89           HN       GLY  89  -7.918 -10.065  15.530
  640    HA2  GLY  89           HA2      GLY  89  -7.065  -8.980  17.916
  641    HA3  GLY  89           HA1      GLY  89  -8.681  -8.333  17.651
  642   H282  PNS  90          H28A      PNS  44  -1.320  15.648  -4.141
  643   H281  PNS  90          H28B      PNS  44  -1.697  13.962  -3.782
  644   H303  PNS  90          H30A      PNS  44  -1.528  15.368  -6.537
  645   H302  PNS  90          H30B      PNS  44  -2.918  14.530  -7.228
  646   H301  PNS  90          H30C      PNS  44  -1.757  13.642  -6.242
  647   H313  PNS  90          H31A      PNS  44  -4.695  14.053  -4.038
  648   H312  PNS  90          H31B      PNS  44  -3.632  12.871  -4.799
  649   H311  PNS  90          H31C      PNS  44  -4.775  13.789  -5.779
  650    H32  PNS  90          H32A      PNS  44  -4.310  16.296  -6.226
  651    H33  PNS  90          H33A      PNS  44  -4.374  16.036  -3.415
  652    H36  PNS  90          H36A      PNS  44  -3.900  18.221  -3.764
  653   H372  PNS  90          H37A      PNS  44  -1.252  19.279  -4.061
  654   H371  PNS  90          H37B      PNS  44  -2.477  20.245  -4.880
  655   H382  PNS  90          H38A      PNS  44  -3.708  20.454  -2.767
  656   H381  PNS  90          H38B      PNS  44  -2.433  19.544  -1.953
  657    H41  PNS  90          H41A      PNS  44  -2.816  21.738  -0.797
  658   H422  PNS  90          H42A      PNS  44  -0.578  23.182  -0.543
  659   H421  PNS  90          H42B      PNS  44  -1.380  24.012  -1.877
  660   H431  PNS  90          H43A      PNS  44  -3.333  24.401  -0.484
  661   H432  PNS  90          H43B      PNS  44  -1.885  25.066   0.268
  662    H44  PNS  90           H1       PNS  44  -3.395  22.124   1.163
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1 -24.522  -9.216   6.761
    2    H2   ALA   1           HT2      ALA   1 -23.012  -9.852   6.342
    3    H3   ALA   1           HT3      ALA   1 -23.375  -8.232   5.995
    4    HA   ALA   1           HA       ALA   1 -23.482  -7.711   8.335
    5    HB1  ALA   1           HB1      ALA   1 -22.865  -9.385   9.999
    6    HB2  ALA   1           HB2      ALA   1 -22.728 -10.603   8.731
    7    HB3  ALA   1           HB3      ALA   1 -24.296  -9.883   9.097
    8    H    MET   2           HN       MET   2 -21.617  -7.851   5.976
    9    HA   MET   2           HA       MET   2 -19.083  -7.867   7.469
   10    HB2  MET   2           HB2      MET   2 -19.185  -9.589   5.709
   11    HB3  MET   2           HB1      MET   2 -19.522  -8.343   4.516
   12    HG2  MET   2           HG2      MET   2 -17.180  -9.110   4.508
   13    HG3  MET   2           HG1      MET   2 -17.350  -7.381   4.812
   14    HE1  MET   2           HE1      MET   2 -14.810  -7.393   5.609
   15    HE2  MET   2           HE2      MET   2 -14.673  -9.141   5.418
   16    HE3  MET   2           HE3      MET   2 -14.196  -8.382   6.936
   17    H    ALA   3           HN       ALA   3 -17.722  -6.063   7.268
   18    HA   ALA   3           HA       ALA   3 -18.295  -3.956   5.408
   19    HB1  ALA   3           HB1      ALA   3 -18.782  -3.493   8.353
   20    HB2  ALA   3           HB2      ALA   3 -19.997  -3.468   7.076
   21    HB3  ALA   3           HB3      ALA   3 -18.735  -2.236   7.114
   22    H    LYS   4           HN       LYS   4 -16.527  -2.753   5.057
   23    HA   LYS   4           HA       LYS   4 -14.439  -1.894   5.165
   24    HB2  LYS   4           HB2      LYS   4 -15.082  -1.078   7.391
   25    HB3  LYS   4           HB1      LYS   4 -14.573  -2.605   8.099
   26    HG2  LYS   4           HG2      LYS   4 -12.275  -2.173   7.414
   27    HG3  LYS   4           HG1      LYS   4 -12.778  -0.645   6.686
   28    HD2  LYS   4           HD2      LYS   4 -13.101  -1.335   9.610
   29    HD3  LYS   4           HD1      LYS   4 -11.758  -0.400   8.948
   30    HE2  LYS   4           HE2      LYS   4 -13.322   1.290   8.143
   31    HE3  LYS   4           HE1      LYS   4 -14.675   0.353   8.775
   32    HZ1  LYS   4           HZ1      LYS   4 -13.848   0.655  11.002
   33    HZ2  LYS   4           HZ2      LYS   4 -14.006   2.175  10.258
   34    HZ3  LYS   4           HZ3      LYS   4 -12.474   1.469  10.433
   35    H    GLY   5           HN       GLY   5 -13.552  -3.439   3.815
   36    HA2  GLY   5           HA2      GLY   5 -11.238  -4.620   4.434
   37    HA3  GLY   5           HA1      GLY   5 -12.385  -5.831   4.980
   38    H    VAL   6           HN       VAL   6 -10.377  -5.967   2.839
   39    HA   VAL   6           HA       VAL   6 -12.177  -6.551   0.592
   40    HB   VAL   6           HB       VAL   6  -9.213  -6.033   0.424
   41   HG11  VAL   6          HG11      VAL   6 -10.065  -7.509  -1.331
   42   HG12  VAL   6          HG12      VAL   6  -9.563  -5.951  -1.988
   43   HG13  VAL   6          HG13      VAL   6 -11.277  -6.300  -1.759
   44   HG21  VAL   6          HG21      VAL   6 -10.351  -3.987   1.032
   45   HG22  VAL   6          HG22      VAL   6 -11.520  -4.224  -0.267
   46   HG23  VAL   6          HG23      VAL   6  -9.828  -3.903  -0.651
   47    H    GLY   7           HN       GLY   7  -8.876  -7.606   1.411
   48    HA2  GLY   7           HA2      GLY   7  -8.345  -9.802   2.219
   49    HA3  GLY   7           HA1      GLY   7  -9.871 -10.375   1.554
   50    H    VAL   8           HN       VAL   8  -6.545  -9.877   0.992
   51    HA   VAL   8           HA       VAL   8  -6.857 -10.526  -1.863
   52    HB   VAL   8           HB       VAL   8  -4.882  -9.295  -2.381
   53   HG11  VAL   8          HG11      VAL   8  -6.888  -7.933  -2.007
   54   HG12  VAL   8          HG12      VAL   8  -5.402  -7.054  -1.663
   55   HG13  VAL   8          HG13      VAL   8  -6.385  -7.676  -0.338
   56   HG21  VAL   8          HG21      VAL   8  -3.439  -9.985  -0.570
   57   HG22  VAL   8          HG22      VAL   8  -4.403  -9.066   0.591
   58   HG23  VAL   8          HG23      VAL   8  -3.474  -8.219  -0.649
   59    H    SER   9           HN       SER   9  -5.085 -11.829  -2.788
   60    HA   SER   9           HA       SER   9  -4.363 -13.974  -1.001
   61    HB2  SER   9           HB2      SER   9  -3.405 -14.976  -3.105
   62    HB3  SER   9           HB1      SER   9  -5.124 -14.590  -3.205
   63    HG   SER   9           HG       SER   9  -4.248 -13.777  -5.041
   64    H    ASN  10           HN       ASN  10  -2.012 -14.859  -1.326
   65    HA   ASN  10           HA       ASN  10  -0.209 -12.783  -0.502
   66    HB2  ASN  10           HB2      ASN  10   0.338 -15.680  -1.200
   67    HB3  ASN  10           HB1      ASN  10   1.503 -14.568  -0.495
   68   HD21  ASN  10          HD21      ASN  10   1.359 -14.034   1.660
   69   HD22  ASN  10          HD22      ASN  10   0.314 -14.860   2.760
   70    H    GLU  11           HN       GLU  11  -1.131 -14.232  -3.441
   71    HA   GLU  11           HA       GLU  11   1.019 -13.445  -5.087
   72    HB2  GLU  11           HB2      GLU  11  -0.543 -14.959  -6.030
   73    HB3  GLU  11           HB1      GLU  11  -1.913 -13.962  -5.567
   74    HG2  GLU  11           HG2      GLU  11  -0.125 -12.562  -7.361
   75    HG3  GLU  11           HG1      GLU  11  -0.728 -14.071  -8.058
   76    H    LYS  12           HN       LYS  12  -1.940 -11.851  -4.049
   77    HA   LYS  12           HA       LYS  12  -1.475  -9.396  -5.395
   78    HB2  LYS  12           HB2      LYS  12  -3.163 -10.154  -3.011
   79    HB3  LYS  12           HB1      LYS  12  -3.132  -8.527  -3.659
   80    HG2  LYS  12           HG2      LYS  12  -3.882 -10.968  -5.259
   81    HG3  LYS  12           HG1      LYS  12  -5.052  -9.928  -4.446
   82    HD2  LYS  12           HD2      LYS  12  -4.304  -8.029  -5.806
   83    HD3  LYS  12           HD1      LYS  12  -3.116  -9.065  -6.604
   84    HE2  LYS  12           HE2      LYS  12  -6.113  -9.444  -6.679
   85    HE3  LYS  12           HE1      LYS  12  -5.143  -8.744  -7.973
   86    HZ1  LYS  12           HZ1      LYS  12  -5.264 -11.538  -7.049
   87    HZ2  LYS  12           HZ2      LYS  12  -3.866 -10.974  -7.825
   88    HZ3  LYS  12           HZ3      LYS  12  -5.362 -10.927  -8.628
   89    H    LEU  13           HN       LEU  13  -0.634 -10.609  -2.207
   90    HA   LEU  13           HA       LEU  13   0.622  -8.289  -1.216
   91    HB2  LEU  13           HB2      LEU  13   0.078 -10.345   0.095
   92    HB3  LEU  13           HB1      LEU  13   1.417 -11.164  -0.678
   93    HG   LEU  13           HG       LEU  13   2.597  -8.890   0.327
   94   HD11  LEU  13          HD11      LEU  13   1.903  -8.732   2.646
   95   HD12  LEU  13          HD12      LEU  13   0.619  -9.902   2.356
   96   HD13  LEU  13          HD13      LEU  13   0.570  -8.329   1.565
   97   HD21  LEU  13          HD21      LEU  13   3.591 -10.412   1.964
   98   HD22  LEU  13          HD22      LEU  13   3.526 -11.126   0.352
   99   HD23  LEU  13          HD23      LEU  13   2.361 -11.620   1.584
  100    H    ASP  14           HN       ASP  14   1.675 -10.692  -3.527
  101    HA   ASP  14           HA       ASP  14   4.443  -9.954  -3.427
  102    HB2  ASP  14           HB2      ASP  14   3.111 -12.130  -4.390
  103    HB3  ASP  14           HB1      ASP  14   3.436 -11.280  -5.882
  104    H    ALA  15           HN       ALA  15   1.605  -8.954  -5.082
  105    HA   ALA  15           HA       ALA  15   2.987  -7.657  -7.255
  106    HB1  ALA  15           HB1      ALA  15   0.769  -6.988  -8.002
  107    HB2  ALA  15           HB2      ALA  15   0.071  -7.530  -6.475
  108    HB3  ALA  15           HB3      ALA  15   0.774  -8.706  -7.584
  109    H    VAL  16           HN       VAL  16   1.548  -6.741  -4.182
  110    HA   VAL  16           HA       VAL  16   1.438  -3.983  -4.747
  111    HB   VAL  16           HB       VAL  16   0.046  -4.812  -3.000
  112   HG11  VAL  16          HG11      VAL  16   1.500  -6.668  -2.242
  113   HG12  VAL  16          HG12      VAL  16   0.883  -5.696  -0.906
  114   HG13  VAL  16          HG13      VAL  16   2.549  -5.490  -1.449
  115   HG21  VAL  16          HG21      VAL  16   0.633  -3.247  -1.180
  116   HG22  VAL  16          HG22      VAL  16   0.760  -2.517  -2.778
  117   HG23  VAL  16          HG23      VAL  16   2.217  -3.025  -1.922
  118    H    MET  17           HN       MET  17   3.899  -5.933  -3.098
  119    HA   MET  17           HA       MET  17   5.348  -3.851  -1.955
  120    HB2  MET  17           HB2      MET  17   6.424  -6.510  -2.946
  121    HB3  MET  17           HB1      MET  17   7.207  -5.442  -1.802
  122    HG2  MET  17           HG2      MET  17   5.425  -5.777  -0.201
  123    HG3  MET  17           HG1      MET  17   4.566  -6.785  -1.358
  124    HE1  MET  17           HE1      MET  17   6.950  -9.883  -1.656
  125    HE2  MET  17           HE2      MET  17   6.966  -8.435  -2.660
  126    HE3  MET  17           HE3      MET  17   5.429  -9.155  -2.185
  127    H    ARG  18           HN       ARG  18   5.509  -5.118  -5.246
  128    HA   ARG  18           HA       ARG  18   7.927  -3.683  -5.790
  129    HB2  ARG  18           HB2      ARG  18   7.467  -4.347  -8.187
  130    HB3  ARG  18           HB1      ARG  18   7.736  -5.651  -7.039
  131    HG2  ARG  18           HG2      ARG  18   5.384  -6.117  -6.952
  132    HG3  ARG  18           HG1      ARG  18   5.034  -4.697  -7.940
  133    HD2  ARG  18           HD2      ARG  18   6.208  -5.672  -9.814
  134    HD3  ARG  18           HD1      ARG  18   6.710  -7.038  -8.824
  135    HE   ARG  18           HE       ARG  18   4.118  -7.349  -8.659
  136   HH11  ARG  18          HH11      ARG  18   5.938  -6.319 -11.449
  137   HH12  ARG  18          HH12      ARG  18   4.909  -7.124 -12.597
  138   HH21  ARG  18          HH21      ARG  18   2.728  -8.414 -10.159
  139   HH22  ARG  18          HH22      ARG  18   3.077  -8.315 -11.850
  140    H    VAL  19           HN       VAL  19   4.545  -2.969  -5.979
  141    HA   VAL  19           HA       VAL  19   4.868  -0.705  -7.721
  142    HB   VAL  19           HB       VAL  19   2.632  -1.538  -5.846
  143   HG11  VAL  19          HG11      VAL  19   2.791   0.874  -7.636
  144   HG12  VAL  19          HG12      VAL  19   2.581   0.857  -5.890
  145   HG13  VAL  19          HG13      VAL  19   1.301   0.259  -6.941
  146   HG21  VAL  19          HG21      VAL  19   2.734  -1.393  -8.863
  147   HG22  VAL  19          HG22      VAL  19   1.454  -2.086  -7.871
  148   HG23  VAL  19          HG23      VAL  19   3.038  -2.858  -7.927
  149    H    VAL  20           HN       VAL  20   4.896  -1.386  -4.342
  150    HA   VAL  20           HA       VAL  20   5.165   1.280  -3.409
  151    HB   VAL  20           HB       VAL  20   5.684  -1.456  -2.227
  152   HG11  VAL  20          HG11      VAL  20   6.250  -0.404  -0.080
  153   HG12  VAL  20          HG12      VAL  20   6.300   1.173  -0.876
  154   HG13  VAL  20          HG13      VAL  20   7.464  -0.078  -1.320
  155   HG21  VAL  20          HG21      VAL  20   3.823   0.801  -1.481
  156   HG22  VAL  20          HG22      VAL  20   3.941  -0.748  -0.647
  157   HG23  VAL  20          HG23      VAL  20   3.380  -0.687  -2.317
  158    H    SER  21           HN       SER  21   7.425  -1.184  -4.502
  159    HA   SER  21           HA       SER  21   9.766   0.078  -3.488
  160    HB2  SER  21           HB2      SER  21   9.602  -2.356  -4.046
  161    HB3  SER  21           HB1      SER  21   9.510  -1.940  -5.752
  162    HG   SER  21           HG       SER  21  11.661  -0.959  -4.244
  163    H    GLU  22           HN       GLU  22   7.784   0.669  -6.246
  164    HA   GLU  22           HA       GLU  22   9.893   1.845  -7.816
  165    HB2  GLU  22           HB2      GLU  22   6.947   1.441  -8.233
  166    HB3  GLU  22           HB1      GLU  22   7.936   2.361  -9.371
  167    HG2  GLU  22           HG2      GLU  22   8.283  -0.535  -8.625
  168    HG3  GLU  22           HG1      GLU  22   7.658   0.093 -10.146
  169    H    GLU  23           HN       GLU  23   6.944   2.939  -6.192
  170    HA   GLU  23           HA       GLU  23   7.333   5.651  -7.036
  171    HB2  GLU  23           HB2      GLU  23   5.375   4.618  -4.965
  172    HB3  GLU  23           HB1      GLU  23   5.237   6.092  -5.900
  173    HG2  GLU  23           HG2      GLU  23   5.257   3.345  -7.081
  174    HG3  GLU  23           HG1      GLU  23   3.795   4.225  -6.656
  175    H    SER  24           HN       SER  24   8.607   3.848  -4.503
  176    HA   SER  24           HA       SER  24   8.893   6.177  -2.743
  177    HB2  SER  24           HB2      SER  24   9.763   4.556  -1.105
  178    HB3  SER  24           HB1      SER  24   8.154   4.118  -1.677
  179    HG   SER  24           HG       SER  24   8.937   2.382  -2.601
  180    H    GLY  25           HN       GLY  25  10.800   3.798  -4.519
  181    HA2  GLY  25           HA2      GLY  25  12.941   4.326  -5.501
  182    HA3  GLY  25           HA1      GLY  25  13.148   5.577  -4.280
  183    H    ILE  26           HN       ILE  26  11.848   2.871  -2.857
  184    HA   ILE  26           HA       ILE  26  14.428   2.105  -1.725
  185    HB   ILE  26           HB       ILE  26  11.820   0.854  -0.944
  186   HG12  ILE  26          HG12      ILE  26  12.835   3.424   0.292
  187   HG13  ILE  26          HG11      ILE  26  11.590   3.389  -0.957
  188   HG21  ILE  26          HG21      ILE  26  14.368   1.462   0.530
  189   HG22  ILE  26          HG22      ILE  26  13.796  -0.119  -0.010
  190   HG23  ILE  26          HG23      ILE  26  12.935   0.746   1.265
  191   HD11  ILE  26          HD11      ILE  26  11.430   2.091   1.761
  192   HD12  ILE  26          HD12      ILE  26  10.173   2.040   0.525
  193   HD13  ILE  26          HD13      ILE  26  10.623   3.578   1.267
  194    H    ALA  27           HN       ALA  27  15.490   0.601  -2.874
  195    HA   ALA  27           HA       ALA  27  14.577  -1.172  -4.755
  196    HB1  ALA  27           HB1      ALA  27  16.801  -1.662  -2.773
  197    HB2  ALA  27           HB2      ALA  27  16.953  -0.744  -4.268
  198    HB3  ALA  27           HB3      ALA  27  16.600  -2.471  -4.327
  199    H    LEU  28           HN       LEU  28  13.863  -3.285  -4.781
  200    HA   LEU  28           HA       LEU  28  11.963  -4.021  -2.899
  201    HB2  LEU  28           HB2      LEU  28  12.026  -4.810  -5.221
  202    HB3  LEU  28           HB1      LEU  28  13.473  -5.737  -4.882
  203    HG   LEU  28           HG       LEU  28  12.074  -7.060  -3.217
  204   HD11  LEU  28          HD11      LEU  28  10.193  -5.588  -2.944
  205   HD12  LEU  28          HD12      LEU  28   9.638  -7.079  -3.704
  206   HD13  LEU  28          HD13      LEU  28   9.862  -5.625  -4.675
  207   HD21  LEU  28          HD21      LEU  28  11.114  -8.455  -5.005
  208   HD22  LEU  28          HD22      LEU  28  12.772  -7.963  -5.344
  209   HD23  LEU  28          HD23      LEU  28  11.431  -7.158  -6.160
  210    H    GLU  29           HN       GLU  29  15.393  -4.720  -2.980
  211    HA   GLU  29           HA       GLU  29  15.222  -6.810  -0.972
  212    HB2  GLU  29           HB2      GLU  29  17.739  -5.441  -1.895
  213    HB3  GLU  29           HB1      GLU  29  17.546  -7.066  -1.257
  214    HG2  GLU  29           HG2      GLU  29  16.493  -7.817  -3.276
  215    HG3  GLU  29           HG1      GLU  29  16.424  -6.168  -3.901
  216    H    GLU  30           HN       GLU  30  15.185  -3.453  -0.913
  217    HA   GLU  30           HA       GLU  30  16.391  -3.380   1.779
  218    HB2  GLU  30           HB2      GLU  30  15.673  -1.004   0.051
  219    HB3  GLU  30           HB1      GLU  30  16.592  -0.989   1.551
  220    HG2  GLU  30           HG2      GLU  30  18.406  -2.197   0.417
  221    HG3  GLU  30           HG1      GLU  30  17.473  -2.130  -1.077
  222    H    LEU  31           HN       LEU  31  13.569  -3.545   0.099
  223    HA   LEU  31           HA       LEU  31  11.889  -1.932   1.735
  224    HB2  LEU  31           HB2      LEU  31  11.337  -2.627  -0.600
  225    HB3  LEU  31           HB1      LEU  31  11.149  -4.278  -0.035
  226    HG   LEU  31           HG       LEU  31   9.316  -3.476   1.469
  227   HD11  LEU  31          HD11      LEU  31   8.317  -1.300   0.991
  228   HD12  LEU  31          HD12      LEU  31   9.638  -0.939  -0.124
  229   HD13  LEU  31          HD13      LEU  31   9.968  -1.136   1.595
  230   HD21  LEU  31          HD21      LEU  31   9.000  -3.043  -1.489
  231   HD22  LEU  31          HD22      LEU  31   7.674  -3.255  -0.346
  232   HD23  LEU  31          HD23      LEU  31   8.821  -4.565  -0.624
  233    H    THR  32           HN       THR  32  12.095  -2.431   3.851
  234    HA   THR  32           HA       THR  32  11.330  -5.159   4.641
  235    HB   THR  32           HB       THR  32  12.543  -4.841   6.719
  236    HG1  THR  32           HG1      THR  32  13.630  -2.371   5.946
  237   HG21  THR  32          HG21      THR  32  13.942  -5.627   4.897
  238   HG22  THR  32          HG22      THR  32  14.868  -4.522   5.909
  239   HG23  THR  32          HG23      THR  32  14.230  -3.967   4.357
  240    H    ASP  33           HN       ASP  33   9.987  -5.214   6.647
  241    HA   ASP  33           HA       ASP  33   7.878  -3.297   6.301
  242    HB2  ASP  33           HB2      ASP  33   6.652  -4.605   7.985
  243    HB3  ASP  33           HB1      ASP  33   7.291  -5.614   6.697
  244    H    ASP  34           HN       ASP  34  10.701  -3.174   7.948
  245    HA   ASP  34           HA       ASP  34   9.741  -1.610  10.198
  246    HB2  ASP  34           HB2      ASP  34  12.567  -2.094   9.232
  247    HB3  ASP  34           HB1      ASP  34  12.114  -1.332  10.752
  248    H    SER  35           HN       SER  35  10.148  -1.018   6.971
  249    HA   SER  35           HA       SER  35  11.362   1.616   7.179
  250    HB2  SER  35           HB2      SER  35  10.019   0.267   4.821
  251    HB3  SER  35           HB1      SER  35  10.968   1.750   4.757
  252    HG   SER  35           HG       SER  35  12.337  -0.265   5.965
  253    H    ASN  36           HN       ASN  36  10.343   3.556   6.557
  254    HA   ASN  36           HA       ASN  36   7.478   3.560   7.266
  255    HB2  ASN  36           HB2      ASN  36   9.143   4.359   9.040
  256    HB3  ASN  36           HB1      ASN  36   9.492   5.699   7.968
  257   HD21  ASN  36          HD21      ASN  36   7.202   4.377  10.234
  258   HD22  ASN  36          HD22      ASN  36   6.146   5.741  10.246
  259    H    PHE  37           HN       PHE  37   6.239   4.443   5.726
  260    HA   PHE  37           HA       PHE  37   7.220   5.294   3.260
  261    HB2  PHE  37           HB2      PHE  37   4.559   5.559   4.618
  262    HB3  PHE  37           HB1      PHE  37   4.839   6.356   3.072
  263    HD1  PHE  37           HD1      PHE  37   6.153   4.663   1.350
  264    HD2  PHE  37           HD2      PHE  37   3.499   3.587   4.486
  265    HE1  PHE  37           HE1      PHE  37   5.650   2.545   0.187
  266    HE2  PHE  37           HE2      PHE  37   2.981   1.480   3.347
  267    HZ   PHE  37           HZ       PHE  37   4.163   0.963   1.116
  268    H    ALA  38           HN       ALA  38   5.879   7.269   5.897
  269    HA   ALA  38           HA       ALA  38   6.334   9.748   4.601
  270    HB1  ALA  38           HB1      ALA  38   5.812  10.751   6.741
  271    HB2  ALA  38           HB2      ALA  38   5.998   9.185   7.538
  272    HB3  ALA  38           HB3      ALA  38   4.689   9.439   6.383
  273    H    ASP  39           HN       ASP  39   8.315   7.691   6.587
  274    HA   ASP  39           HA       ASP  39  10.287   9.649   7.220
  275    HB2  ASP  39           HB2      ASP  39   9.994   7.556   8.535
  276    HB3  ASP  39           HB1      ASP  39  10.595   6.640   7.153
  277    H    MET  40           HN       MET  40   9.671   7.583   4.534
  278    HA   MET  40           HA       MET  40  12.361   7.776   3.501
  279    HB2  MET  40           HB2      MET  40   9.855   6.417   2.596
  280    HB3  MET  40           HB1      MET  40  11.203   6.610   1.478
  281    HG2  MET  40           HG2      MET  40  11.499   5.380   4.191
  282    HG3  MET  40           HG1      MET  40  11.106   4.438   2.749
  283    HE1  MET  40           HE1      MET  40  13.665   3.815   4.588
  284    HE2  MET  40           HE2      MET  40  14.862   3.508   3.332
  285    HE3  MET  40           HE3      MET  40  13.217   2.906   3.145
  286    H    GLY  41           HN       GLY  41   9.452   9.544   3.268
  287    HA2  GLY  41           HA2      GLY  41   9.630  11.797   2.324
  288    HA3  GLY  41           HA1      GLY  41  10.625  11.109   1.048
  289    H    ILE  42           HN       ILE  42   7.964   9.180   1.943
  290    HA   ILE  42           HA       ILE  42   6.706   9.435  -0.586
  291    HB   ILE  42           HB       ILE  42   5.751   8.187   2.004
  292   HG12  ILE  42          HG12      ILE  42   7.697   7.170   0.779
  293   HG13  ILE  42          HG11      ILE  42   6.309   6.097   0.966
  294   HG21  ILE  42          HG21      ILE  42   4.422   8.097  -0.702
  295   HG22  ILE  42          HG22      ILE  42   3.798   8.884   0.751
  296   HG23  ILE  42          HG23      ILE  42   3.965   7.128   0.701
  297   HD11  ILE  42          HD11      ILE  42   7.057   7.626  -1.520
  298   HD12  ILE  42          HD12      ILE  42   5.651   6.569  -1.345
  299   HD13  ILE  42          HD13      ILE  42   7.283   5.894  -1.246
  300    H    ASP  43           HN       ASP  43   5.781  11.248  -1.207
  301    HA   ASP  43           HA       ASP  43   4.547  13.099   0.653
  302    HB2  ASP  43           HB2      ASP  43   5.881  13.813  -1.351
  303    HB3  ASP  43           HB1      ASP  43   4.614  13.157  -2.378
  304    H    SER  44           HN       SER  44   2.327  13.942   0.192
  305    HA   SER  44           HA       SER  44   0.292  12.060   0.120
  306    HB2  SER  44           HB2      SER  44  -0.169  14.243   0.940
  307    HB3  SER  44           HB1      SER  44   0.358  14.998  -0.563
  308    H    LEU  45           HN       LEU  45   1.929  13.792  -2.444
  309    HA   LEU  45           HA       LEU  45   0.345  13.020  -4.627
  310    HB2  LEU  45           HB2      LEU  45   2.246  14.709  -4.570
  311    HB3  LEU  45           HB1      LEU  45   3.357  13.354  -4.609
  312    HG   LEU  45           HG       LEU  45   2.983  14.539  -6.792
  313   HD11  LEU  45          HD11      LEU  45   3.934  12.294  -6.717
  314   HD12  LEU  45          HD12      LEU  45   2.904  12.504  -8.134
  315   HD13  LEU  45          HD13      LEU  45   2.312  11.600  -6.740
  316   HD21  LEU  45          HD21      LEU  45   0.586  14.924  -6.582
  317   HD22  LEU  45          HD22      LEU  45   0.294  13.187  -6.646
  318   HD23  LEU  45          HD23      LEU  45   0.955  14.019  -8.051
  319    H    SER  46           HN       SER  46   3.403  11.533  -3.528
  320    HA   SER  46           HA       SER  46   3.348   9.380  -5.306
  321    HB2  SER  46           HB2      SER  46   4.649   9.308  -2.592
  322    HB3  SER  46           HB1      SER  46   5.192   8.544  -4.087
  323    HG   SER  46           HG       SER  46   6.289  10.288  -4.441
  324    H    SER  47           HN       SER  47   2.213   9.579  -1.948
  325    HA   SER  47           HA       SER  47   1.636   6.825  -1.691
  326    HB2  SER  47           HB2      SER  47   0.221   7.577   0.249
  327    HB3  SER  47           HB1      SER  47   1.881   8.176   0.281
  328    HG   SER  47           HG       SER  47   1.191  10.167  -0.327
  329    H    MET  48           HN       MET  48  -0.151   9.518  -2.976
  330    HA   MET  48           HA       MET  48  -2.691   8.193  -3.097
  331    HB2  MET  48           HB2      MET  48  -2.212  10.720  -3.123
  332    HB3  MET  48           HB1      MET  48  -1.799  10.507  -4.813
  333    HG2  MET  48           HG2      MET  48  -4.091  11.293  -4.538
  334    HG3  MET  48           HG1      MET  48  -4.040   9.697  -5.287
  335    HE1  MET  48           HE1      MET  48  -6.612   9.382  -4.799
  336    HE2  MET  48           HE2      MET  48  -6.688  10.973  -4.043
  337    HE3  MET  48           HE3      MET  48  -7.345   9.564  -3.206
  338    H    VAL  49           HN       VAL  49   0.128   8.467  -5.076
  339    HA   VAL  49           HA       VAL  49  -1.148   7.551  -7.487
  340    HB   VAL  49           HB       VAL  49   1.765   8.001  -6.768
  341   HG11  VAL  49          HG11      VAL  49   2.344   7.678  -9.064
  342   HG12  VAL  49          HG12      VAL  49   0.653   7.461  -9.519
  343   HG13  VAL  49          HG13      VAL  49   1.459   6.248  -8.528
  344   HG21  VAL  49          HG21      VAL  49  -0.114   9.569  -8.545
  345   HG22  VAL  49          HG22      VAL  49   1.576   9.952  -8.221
  346   HG23  VAL  49          HG23      VAL  49   0.389  10.035  -6.921
  347    H    ILE  50           HN       ILE  50   0.913   6.124  -4.978
  348    HA   ILE  50           HA       ILE  50   1.219   3.576  -6.016
  349    HB   ILE  50           HB       ILE  50   0.734   4.309  -3.123
  350   HG12  ILE  50          HG12      ILE  50   3.330   4.018  -4.656
  351   HG13  ILE  50          HG11      ILE  50   2.616   5.548  -4.166
  352   HG21  ILE  50          HG21      ILE  50   1.966   2.238  -2.631
  353   HG22  ILE  50          HG22      ILE  50   2.034   1.882  -4.358
  354   HG23  ILE  50          HG23      ILE  50   0.476   1.921  -3.529
  355   HD11  ILE  50          HD11      ILE  50   2.912   4.965  -1.833
  356   HD12  ILE  50          HD12      ILE  50   4.446   4.850  -2.700
  357   HD13  ILE  50          HD13      ILE  50   3.551   3.387  -2.292
  358    H    GLY  51           HN       GLY  51  -1.408   4.787  -3.899
  359    HA2  GLY  51           HA2      GLY  51  -2.986   2.450  -4.008
  360    HA3  GLY  51           HA1      GLY  51  -3.581   4.057  -3.616
  361    H    SER  52           HN       SER  52  -2.625   5.102  -6.217
  362    HA   SER  52           HA       SER  52  -4.903   4.611  -7.774
  363    HB2  SER  52           HB2      SER  52  -2.357   6.098  -8.069
  364    HB3  SER  52           HB1      SER  52  -3.335   5.890  -9.499
  365    HG   SER  52           HG       SER  52  -3.937   7.235  -7.084
  366    H    ARG  53           HN       ARG  53  -1.496   3.580  -8.066
  367    HA   ARG  53           HA       ARG  53  -1.844   2.103 -10.443
  368    HB2  ARG  53           HB2      ARG  53   0.182   1.762  -8.236
  369    HB3  ARG  53           HB1      ARG  53   0.245   0.917  -9.775
  370    HG2  ARG  53           HG2      ARG  53   0.208   3.276 -10.803
  371    HG3  ARG  53           HG1      ARG  53   0.676   3.812  -9.190
  372    HD2  ARG  53           HD2      ARG  53   2.777   3.436  -9.953
  373    HD3  ARG  53           HD1      ARG  53   2.381   1.772  -9.520
  374    HE   ARG  53           HE       ARG  53   1.555   1.814 -12.059
  375   HH11  ARG  53          HH11      ARG  53   4.509   3.112 -10.652
  376   HH12  ARG  53          HH12      ARG  53   5.494   2.638 -12.008
  377   HH21  ARG  53          HH21      ARG  53   2.864   1.171 -13.809
  378   HH22  ARG  53          HH22      ARG  53   4.571   1.518 -13.788
  379    H    PHE  54           HN       PHE  54  -2.473   1.366  -7.091
  380    HA   PHE  54           HA       PHE  54  -2.702  -1.419  -7.175
  381    HB2  PHE  54           HB2      PHE  54  -4.287   0.682  -5.682
  382    HB3  PHE  54           HB1      PHE  54  -4.604  -1.034  -5.496
  383    HD1  PHE  54           HD1      PHE  54  -1.245  -1.081  -5.973
  384    HD2  PHE  54           HD2      PHE  54  -4.110   0.297  -3.157
  385    HE1  PHE  54           HE1      PHE  54   0.454  -1.200  -4.192
  386    HE2  PHE  54           HE2      PHE  54  -2.425   0.174  -1.374
  387    HZ   PHE  54           HZ       PHE  54  -0.140  -0.573  -1.893
  388    H    ARG  55           HN       ARG  55  -4.904   1.111  -8.234
  389    HA   ARG  55           HA       ARG  55  -6.975  -0.770  -8.902
  390    HB2  ARG  55           HB2      ARG  55  -6.749   2.191  -9.464
  391    HB3  ARG  55           HB1      ARG  55  -8.180   1.204  -9.741
  392    HG2  ARG  55           HG2      ARG  55  -8.067   0.641  -7.270
  393    HG3  ARG  55           HG1      ARG  55  -6.918   1.977  -7.128
  394    HD2  ARG  55           HD2      ARG  55  -9.222   2.687  -6.636
  395    HD3  ARG  55           HD1      ARG  55  -8.581   3.505  -8.062
  396    HE   ARG  55           HE       ARG  55  -9.838   1.607  -9.297
  397   HH11  ARG  55          HH11      ARG  55 -10.942   3.287  -6.414
  398   HH12  ARG  55          HH12      ARG  55 -12.624   2.975  -6.738
  399   HH21  ARG  55          HH21      ARG  55 -12.041   1.242  -9.712
  400   HH22  ARG  55          HH22      ARG  55 -13.237   1.809  -8.588
  401    H    GLU  56           HN       GLU  56  -4.408   0.910 -10.591
  402    HA   GLU  56           HA       GLU  56  -5.594   0.370 -13.177
  403    HB2  GLU  56           HB2      GLU  56  -3.040   1.748 -12.363
  404    HB3  GLU  56           HB1      GLU  56  -3.530   1.524 -14.036
  405    HG2  GLU  56           HG2      GLU  56  -5.012   3.082 -11.932
  406    HG3  GLU  56           HG1      GLU  56  -4.075   3.748 -13.271
  407    H    ASP  57           HN       ASP  57  -2.432  -0.259 -11.720
  408    HA   ASP  57           HA       ASP  57  -1.661  -2.050 -13.787
  409    HB2  ASP  57           HB2      ASP  57  -0.437  -1.435 -11.093
  410    HB3  ASP  57           HB1      ASP  57   0.319  -2.456 -12.306
  411    H    LEU  58           HN       LEU  58  -2.943  -2.462 -10.542
  412    HA   LEU  58           HA       LEU  58  -2.739  -5.378 -10.808
  413    HB2  LEU  58           HB2      LEU  58  -3.112  -3.527  -8.484
  414    HB3  LEU  58           HB1      LEU  58  -3.677  -5.178  -8.354
  415    HG   LEU  58           HG       LEU  58  -1.414  -6.015  -8.750
  416   HD11  LEU  58          HD11      LEU  58  -0.529  -3.134  -8.727
  417   HD12  LEU  58          HD12      LEU  58  -0.610  -4.154 -10.163
  418   HD13  LEU  58          HD13      LEU  58   0.499  -4.564  -8.856
  419   HD21  LEU  58          HD21      LEU  58  -0.396  -5.208  -6.641
  420   HD22  LEU  58          HD22      LEU  58  -2.094  -5.653  -6.468
  421   HD23  LEU  58          HD23      LEU  58  -1.634  -3.954  -6.559
  422    H    GLY  59           HN       GLY  59  -5.166  -2.979  -9.751
  423    HA2  GLY  59           HA2      GLY  59  -7.341  -2.999 -10.890
  424    HA3  GLY  59           HA1      GLY  59  -7.229  -4.752 -10.914
  425    H    LEU  60           HN       LEU  60  -6.319  -2.914  -8.089
  426    HA   LEU  60           HA       LEU  60  -8.318  -4.298  -6.509
  427    HB2  LEU  60           HB2      LEU  60  -6.323  -2.197  -5.656
  428    HB3  LEU  60           HB1      LEU  60  -7.208  -3.277  -4.602
  429    HG   LEU  60           HG       LEU  60  -5.116  -4.145  -6.597
  430   HD11  LEU  60          HD11      LEU  60  -4.950  -3.869  -3.594
  431   HD12  LEU  60          HD12      LEU  60  -4.149  -2.827  -4.770
  432   HD13  LEU  60          HD13      LEU  60  -3.697  -4.528  -4.641
  433   HD21  LEU  60          HD21      LEU  60  -6.438  -5.698  -4.378
  434   HD22  LEU  60          HD22      LEU  60  -5.283  -6.305  -5.564
  435   HD23  LEU  60          HD23      LEU  60  -6.893  -5.811  -6.076
  436    H    ASP  61           HN       ASP  61 -10.393  -3.440  -6.441
  437    HA   ASP  61           HA       ASP  61 -10.708  -0.592  -6.852
  438    HB2  ASP  61           HB2      ASP  61 -13.097  -0.990  -6.945
  439    HB3  ASP  61           HB1      ASP  61 -12.252  -2.123  -7.995
  440    H    LEU  62           HN       LEU  62  -9.405  -0.336  -4.883
  441    HA   LEU  62           HA       LEU  62 -10.377  -0.866  -2.283
  442    HB2  LEU  62           HB2      LEU  62  -8.570   1.370  -3.199
  443    HB3  LEU  62           HB1      LEU  62  -8.728   0.783  -1.558
  444    HG   LEU  62           HG       LEU  62  -7.750  -0.992  -3.776
  445   HD11  LEU  62          HD11      LEU  62  -6.107   0.796  -1.999
  446   HD12  LEU  62          HD12      LEU  62  -6.352   1.003  -3.731
  447   HD13  LEU  62          HD13      LEU  62  -5.482  -0.407  -3.124
  448   HD21  LEU  62          HD21      LEU  62  -8.414  -2.119  -1.734
  449   HD22  LEU  62          HD22      LEU  62  -7.425  -1.019  -0.777
  450   HD23  LEU  62          HD23      LEU  62  -6.655  -2.152  -1.887
  451    H    GLY  63           HN       GLY  63 -10.089   2.276  -3.865
  452    HA2  GLY  63           HA2      GLY  63 -12.661   3.213  -3.571
  453    HA3  GLY  63           HA1      GLY  63 -11.819   3.601  -2.074
  454    HA   PRO  64           HA       PRO  64 -10.697   6.693  -5.406
  455    HB2  PRO  64           HB2      PRO  64 -12.218   8.816  -4.726
  456    HB3  PRO  64           HB1      PRO  64 -12.805   7.521  -5.797
  457    HG2  PRO  64           HG2      PRO  64 -13.353   7.998  -2.903
  458    HG3  PRO  64           HG1      PRO  64 -14.439   7.397  -4.165
  459    HD2  PRO  64           HD2      PRO  64 -13.138   5.821  -2.287
  460    HD3  PRO  64           HD1      PRO  64 -13.795   5.242  -3.829
  461    H    GLU  65           HN       GLU  65 -11.254   7.196  -1.924
  462    HA   GLU  65           HA       GLU  65  -9.022   9.100  -1.911
  463    HB2  GLU  65           HB2      GLU  65 -11.396   8.808  -0.066
  464    HB3  GLU  65           HB1      GLU  65  -9.960   9.706   0.409
  465    HG2  GLU  65           HG2      GLU  65 -11.566  11.269  -0.365
  466    HG3  GLU  65           HG1      GLU  65 -10.301  11.171  -1.583
  467    H    PHE  66           HN       PHE  66  -7.931   6.838  -2.074
  468    HA   PHE  66           HA       PHE  66  -7.317   5.994   0.676
  469    HB2  PHE  66           HB2      PHE  66  -8.063   4.129  -0.756
  470    HB3  PHE  66           HB1      PHE  66  -6.781   4.492  -1.908
  471    HD1  PHE  66           HD2      PHE  66  -7.494   3.275   1.501
  472    HD2  PHE  66           HD1      PHE  66  -4.580   3.681  -1.574
  473    HE1  PHE  66           HE2      PHE  66  -6.000   1.747   2.716
  474    HE2  PHE  66           HE1      PHE  66  -3.095   2.156  -0.366
  475    HZ   PHE  66           HZ       PHE  66  -3.785   1.195   1.780
  476    H    SER  67           HN       SER  67  -5.613   6.969   1.473
  477    HA   SER  67           HA       SER  67  -3.343   7.529  -0.303
  478    HB2  SER  67           HB2      SER  67  -4.275   9.385   1.896
  479    HB3  SER  67           HB1      SER  67  -3.071   9.705   0.648
  480    HG   SER  67           HG       SER  67  -4.782   9.519  -0.906
  481    H    LEU  68           HN       LEU  68  -1.611   6.508   0.380
  482    HA   LEU  68           HA       LEU  68  -1.370   5.243   2.886
  483    HB2  LEU  68           HB2      LEU  68   0.791   5.993   0.924
  484    HB3  LEU  68           HB1      LEU  68   0.978   4.872   2.255
  485    HG   LEU  68           HG       LEU  68  -0.796   4.501  -0.153
  486   HD11  LEU  68          HD11      LEU  68   0.788   2.565  -0.504
  487   HD12  LEU  68          HD12      LEU  68   1.829   3.320   0.708
  488   HD13  LEU  68          HD13      LEU  68   1.449   4.176  -0.789
  489   HD21  LEU  68          HD21      LEU  68  -1.796   3.527   1.836
  490   HD22  LEU  68          HD22      LEU  68  -0.288   2.697   2.205
  491   HD23  LEU  68          HD23      LEU  68  -1.200   2.264   0.759
  492    H    PHE  69           HN       PHE  69  -0.888   8.452   1.957
  493    HA   PHE  69           HA       PHE  69   1.110   9.110   3.908
  494    HB2  PHE  69           HB2      PHE  69   0.862  10.235   1.689
  495    HB3  PHE  69           HB1      PHE  69  -0.666  10.911   2.241
  496    HD1  PHE  69           HD1      PHE  69   2.854  10.673   3.424
  497    HD2  PHE  69           HD2      PHE  69  -0.615  13.065   2.927
  498    HE1  PHE  69           HE1      PHE  69   4.075  12.612   4.319
  499    HE2  PHE  69           HE2      PHE  69   0.593  15.016   3.824
  500    HZ   PHE  69           HZ       PHE  69   2.946  14.792   4.523
  501    H    ILE  70           HN       ILE  70  -2.211   8.551   4.023
  502    HA   ILE  70           HA       ILE  70  -2.523  10.412   6.296
  503    HB   ILE  70           HB       ILE  70  -4.668   9.599   4.298
  504   HG12  ILE  70          HG12      ILE  70  -3.463  12.289   4.993
  505   HG13  ILE  70          HG11      ILE  70  -3.115  11.374   3.533
  506   HG21  ILE  70          HG21      ILE  70  -4.937  11.305   6.773
  507   HG22  ILE  70          HG22      ILE  70  -5.580   9.676   6.570
  508   HG23  ILE  70          HG23      ILE  70  -6.193  10.999   5.577
  509   HD11  ILE  70          HD11      ILE  70  -5.444  11.576   2.842
  510   HD12  ILE  70          HD12      ILE  70  -4.700  13.156   3.087
  511   HD13  ILE  70          HD13      ILE  70  -5.795  12.498   4.304
  512    H    ASP  71           HN       ASP  71  -3.339   7.194   5.033
  513    HA   ASP  71           HA       ASP  71  -4.360   6.547   7.731
  514    HB2  ASP  71           HB2      ASP  71  -5.877   6.460   5.525
  515    HB3  ASP  71           HB1      ASP  71  -5.157   4.854   5.421
  516    H    CYS  72           HN       CYS  72  -1.650   6.333   6.315
  517    HA   CYS  72           HA       CYS  72  -1.015   3.694   7.328
  518    HB2  CYS  72           HB2      CYS  72  -0.336   4.523   4.491
  519    HB3  CYS  72           HB1      CYS  72   0.219   3.055   5.291
  520    HG   CYS  72           HG       CYS  72  -2.991   2.997   5.574
  521    H    THR  73           HN       THR  73   1.305   3.449   7.660
  522    HA   THR  73           HA       THR  73   2.783   5.985   7.586
  523    HB   THR  73           HB       THR  73   3.560   5.593   9.899
  524    HG1  THR  73           HG1      THR  73   2.043   3.966  11.029
  525   HG21  THR  73          HG21      THR  73   0.570   5.666   9.502
  526   HG22  THR  73          HG22      THR  73   1.665   7.047   9.635
  527   HG23  THR  73          HG23      THR  73   1.365   6.022  11.041
  528    H    THR  74           HN       THR  74   3.267   2.610   8.707
  529    HA   THR  74           HA       THR  74   5.891   2.615   7.437
  530    HB   THR  74           HB       THR  74   6.302   0.532   8.624
  531    HG1  THR  74           HG1      THR  74   4.123   0.272  10.146
  532   HG21  THR  74          HG21      THR  74   4.890   2.539  10.386
  533   HG22  THR  74          HG22      THR  74   6.592   2.579   9.921
  534   HG23  THR  74          HG23      THR  74   5.989   1.282  10.955
  535    H    VAL  75           HN       VAL  75   6.393   0.244   6.475
  536    HA   VAL  75           HA       VAL  75   4.729  -0.002   4.160
  537    HB   VAL  75           HB       VAL  75   6.550  -2.231   4.675
  538   HG11  VAL  75          HG11      VAL  75   7.341  -1.631   2.409
  539   HG12  VAL  75          HG12      VAL  75   6.246  -0.248   2.436
  540   HG13  VAL  75          HG13      VAL  75   5.598  -1.891   2.502
  541   HG21  VAL  75          HG21      VAL  75   7.889  -0.661   5.824
  542   HG22  VAL  75          HG22      VAL  75   7.620   0.569   4.587
  543   HG23  VAL  75          HG23      VAL  75   8.585  -0.861   4.217
  544    H    ARG  76           HN       ARG  76   5.452  -1.897   7.009
  545    HA   ARG  76           HA       ARG  76   4.042  -4.190   6.527
  546    HB2  ARG  76           HB2      ARG  76   5.505  -3.934   8.435
  547    HB3  ARG  76           HB1      ARG  76   4.404  -2.761   9.151
  548    HG2  ARG  76           HG2      ARG  76   2.771  -4.398   9.573
  549    HG3  ARG  76           HG1      ARG  76   3.560  -5.572   8.514
  550    HD2  ARG  76           HD2      ARG  76   3.950  -6.124  10.842
  551    HD3  ARG  76           HD1      ARG  76   5.448  -5.658  10.044
  552    HE   ARG  76           HE       ARG  76   3.965  -3.654  11.584
  553   HH11  ARG  76          HH11      ARG  76   6.908  -5.492  11.067
  554   HH12  ARG  76          HH12      ARG  76   7.731  -4.795  12.427
  555   HH21  ARG  76          HH21      ARG  76   5.053  -2.734  13.388
  556   HH22  ARG  76          HH22      ARG  76   6.683  -3.224  13.747
  557    H    ALA  77           HN       ALA  77   2.876  -1.111   7.695
  558    HA   ALA  77           HA       ALA  77   0.319  -1.805   8.529
  559    HB1  ALA  77           HB1      ALA  77   1.385   0.400   8.868
  560    HB2  ALA  77           HB2      ALA  77  -0.251   0.519   8.216
  561    HB3  ALA  77           HB3      ALA  77   1.141   0.750   7.157
  562    H    LEU  78           HN       LEU  78   1.576  -1.293   5.285
  563    HA   LEU  78           HA       LEU  78  -0.992  -1.185   4.005
  564    HB2  LEU  78           HB2      LEU  78   1.567  -0.567   3.274
  565    HB3  LEU  78           HB1      LEU  78   1.317  -2.062   2.404
  566    HG   LEU  78           HG       LEU  78  -0.539   0.302   2.200
  567   HD11  LEU  78          HD11      LEU  78   0.628   0.690   0.026
  568   HD12  LEU  78          HD12      LEU  78   1.867  -0.451   0.559
  569   HD13  LEU  78          HD13      LEU  78   1.594   1.041   1.455
  570   HD21  LEU  78          HD21      LEU  78  -1.206  -0.753   0.101
  571   HD22  LEU  78          HD22      LEU  78  -1.543  -1.782   1.499
  572   HD23  LEU  78          HD23      LEU  78  -0.157  -2.124   0.458
  573    H    LYS  79           HN       LYS  79   1.540  -3.615   4.310
  574    HA   LYS  79           HA       LYS  79   0.366  -5.707   2.901
  575    HB2  LYS  79           HB2      LYS  79   1.724  -6.606   5.334
  576    HB3  LYS  79           HB1      LYS  79   1.994  -7.019   3.661
  577    HG2  LYS  79           HG2      LYS  79   3.456  -5.195   3.319
  578    HG3  LYS  79           HG1      LYS  79   2.923  -4.388   4.783
  579    HD2  LYS  79           HD2      LYS  79   4.863  -6.660   4.484
  580    HD3  LYS  79           HD1      LYS  79   4.988  -5.170   5.413
  581    HE2  LYS  79           HE2      LYS  79   4.685  -6.695   7.078
  582    HE3  LYS  79           HE1      LYS  79   3.036  -6.146   6.803
  583    HZ1  LYS  79           HZ1      LYS  79   3.218  -8.564   7.047
  584    HZ2  LYS  79           HZ2      LYS  79   4.186  -8.639   5.660
  585    HZ3  LYS  79           HZ3      LYS  79   2.576  -8.125   5.545
  586    H    ASP  80           HN       ASP  80   0.437  -5.290   6.401
  587    HA   ASP  80           HA       ASP  80  -1.365  -7.275   7.083
  588    HB2  ASP  80           HB2      ASP  80   0.101  -6.006   8.653
  589    HB3  ASP  80           HB1      ASP  80  -1.004  -4.642   8.517
  590    H    PHE  81           HN       PHE  81  -2.012  -3.965   6.114
  591    HA   PHE  81           HA       PHE  81  -4.731  -3.849   6.795
  592    HB2  PHE  81           HB2      PHE  81  -3.227  -1.918   6.119
  593    HB3  PHE  81           HB1      PHE  81  -3.472  -2.419   4.450
  594    HD1  PHE  81           HD1      PHE  81  -5.327  -1.416   7.507
  595    HD2  PHE  81           HD2      PHE  81  -5.286  -1.597   3.257
  596    HE1  PHE  81           HE1      PHE  81  -7.387  -0.069   7.436
  597    HE2  PHE  81           HE2      PHE  81  -7.345  -0.252   3.174
  598    HZ   PHE  81           HZ       PHE  81  -8.400   0.512   5.266
  599    H    MET  82           HN       MET  82  -3.088  -4.998   3.896
  600    HA   MET  82           HA       MET  82  -5.234  -5.336   2.180
  601    HB2  MET  82           HB2      MET  82  -2.773  -7.026   2.502
  602    HB3  MET  82           HB1      MET  82  -3.933  -7.253   1.202
  603    HG2  MET  82           HG2      MET  82  -3.476  -4.730   0.708
  604    HG3  MET  82           HG1      MET  82  -2.019  -5.019   1.666
  605    HE1  MET  82           HE1      MET  82  -1.445  -5.129  -2.416
  606    HE2  MET  82           HE2      MET  82  -1.646  -3.980  -1.093
  607    HE3  MET  82           HE3      MET  82  -3.066  -4.720  -1.846
  608    H    LEU  83           HN       LEU  83  -4.000  -7.648   4.575
  609    HA   LEU  83           HA       LEU  83  -6.005  -9.582   3.846
  610    HB2  LEU  83           HB2      LEU  83  -3.940  -9.591   6.059
  611    HB3  LEU  83           HB1      LEU  83  -5.014 -10.930   5.719
  612    HG   LEU  83           HG       LEU  83  -3.960 -10.980   3.378
  613   HD11  LEU  83          HD11      LEU  83  -1.720 -10.070   3.172
  614   HD12  LEU  83          HD12      LEU  83  -1.863  -9.323   4.762
  615   HD13  LEU  83          HD13      LEU  83  -2.901  -8.790   3.440
  616   HD21  LEU  83          HD21      LEU  83  -2.181 -11.628   5.733
  617   HD22  LEU  83          HD22      LEU  83  -2.085 -12.330   4.120
  618   HD23  LEU  83          HD23      LEU  83  -3.486 -12.657   5.137
  619    H    GLY  84           HN       GLY  84  -5.539  -7.224   6.405
  620    HA2  GLY  84           HA2      GLY  84  -7.962  -6.553   7.069
  621    HA3  GLY  84           HA1      GLY  84  -7.992  -8.195   7.692
  622    H    SER  85           HN       SER  85  -6.608  -5.014   8.059
  623    HA   SER  85           HA       SER  85  -5.006  -5.700  10.344
  624    HB2  SER  85           HB2      SER  85  -4.707  -3.784   8.583
  625    HB3  SER  85           HB1      SER  85  -5.792  -2.903   9.659
  626    HG   SER  85           HG       SER  85  -3.377  -4.181  10.443
  627    H    GLY  86           HN       GLY  86  -7.192  -6.689  11.284
  628    HA2  GLY  86           HA2      GLY  86  -8.157  -4.670  13.203
  629    HA3  GLY  86           HA1      GLY  86  -9.291  -5.777  12.437
  630    H    ASP  87           HN       ASP  87  -9.816  -7.472  13.632
  631    HA   ASP  87           HA       ASP  87  -8.208  -8.261  15.892
  632    HB2  ASP  87           HB2      ASP  87 -10.742  -9.413  14.697
  633    HB3  ASP  87           HB1      ASP  87  -9.942 -10.095  16.110
  634    H    ALA  88           HN       ALA  88  -7.160 -10.295  16.137
  635    HA   ALA  88           HA       ALA  88  -6.761 -11.845  13.713
  636    HB1  ALA  88           HB1      ALA  88  -4.486 -10.713  15.345
  637    HB2  ALA  88           HB2      ALA  88  -4.955 -10.178  13.732
  638    HB3  ALA  88           HB3      ALA  88  -4.334 -11.809  13.976
  639    H    GLY  89           HN       GLY  89  -4.862 -13.521  14.605
  640    HA2  GLY  89           HA2      GLY  89  -4.692 -14.694  16.964
  641    HA3  GLY  89           HA1      GLY  89  -6.372 -15.054  16.577
  642   H282  PNS  90          H28A      PNS  44  -1.431  15.761  -3.531
  643   H281  PNS  90          H28B      PNS  44  -1.746  14.036  -3.350
  644   H303  PNS  90          H30A      PNS  44  -1.362  14.548  -5.911
  645   H302  PNS  90          H30B      PNS  44  -2.910  14.200  -6.683
  646   H301  PNS  90          H30C      PNS  44  -2.310  13.155  -5.394
  647   H313  PNS  90          H31A      PNS  44  -4.372  13.458  -4.085
  648   H312  PNS  90          H31B      PNS  44  -5.040  14.484  -5.352
  649   H311  PNS  90          H31C      PNS  44  -4.949  15.079  -3.696
  650    H32  PNS  90          H32A      PNS  44  -2.249  16.954  -5.269
  651    H33  PNS  90          H33A      PNS  44  -3.702  17.368  -6.985
  652    H36  PNS  90          H36A      PNS  44  -5.221  17.738  -6.084
  653   H372  PNS  90          H37A      PNS  44  -7.108  18.199  -4.407
  654   H371  PNS  90          H37B      PNS  44  -5.844  19.052  -3.528
  655   H382  PNS  90          H38A      PNS  44  -7.080  20.674  -4.739
  656   H381  PNS  90          H38B      PNS  44  -5.518  20.503  -5.532
  657    H41  PNS  90          H41A      PNS  44  -7.743  17.957  -5.982
  658   H422  PNS  90          H42A      PNS  44  -9.018  18.956  -8.381
  659   H421  PNS  90          H42B      PNS  44  -7.809  17.700  -8.639
  660   H431  PNS  90          H43A      PNS  44  -9.946  16.652  -8.508
  661   H432  PNS  90          H43B      PNS  44 -10.332  17.502  -7.011
  662    H44  PNS  90           H1       PNS  44  -9.854  14.801  -6.423
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1 -18.015   3.170  -4.544
    2    H2   ALA   1           HT2      ALA   1 -18.050   2.223  -5.946
    3    H3   ALA   1           HT3      ALA   1 -16.684   2.195  -4.946
    4    HA   ALA   1           HA       ALA   1 -19.392   1.208  -4.262
    5    HB1  ALA   1           HB1      ALA   1 -16.802  -0.282  -4.686
    6    HB2  ALA   1           HB2      ALA   1 -18.165  -0.247  -5.804
    7    HB3  ALA   1           HB3      ALA   1 -18.346  -0.994  -4.217
    8    H    MET   2           HN       MET   2 -19.231  -0.181  -2.234
    9    HA   MET   2           HA       MET   2 -17.345   1.026  -0.319
   10    HB2  MET   2           HB2      MET   2 -19.642   1.831   0.069
   11    HB3  MET   2           HB1      MET   2 -20.202   0.170   0.198
   12    HG2  MET   2           HG2      MET   2 -18.838  -0.158   2.180
   13    HG3  MET   2           HG1      MET   2 -18.223   1.487   2.045
   14    HE1  MET   2           HE1      MET   2 -20.524   1.645   5.219
   15    HE2  MET   2           HE2      MET   2 -18.892   1.856   4.586
   16    HE3  MET   2           HE3      MET   2 -19.588   0.239   4.706
   17    H    ALA   3           HN       ALA   3 -15.974  -0.531   0.505
   18    HA   ALA   3           HA       ALA   3 -16.958  -3.264   0.735
   19    HB1  ALA   3           HB1      ALA   3 -14.975  -4.174  -0.292
   20    HB2  ALA   3           HB2      ALA   3 -14.307  -2.559  -0.523
   21    HB3  ALA   3           HB3      ALA   3 -15.745  -3.054  -1.417
   22    H    LYS   4           HN       LYS   4 -16.258  -4.292   2.467
   23    HA   LYS   4           HA       LYS   4 -14.071  -3.155   4.045
   24    HB2  LYS   4           HB2      LYS   4 -16.186  -2.273   4.988
   25    HB3  LYS   4           HB1      LYS   4 -16.755  -3.919   5.219
   26    HG2  LYS   4           HG2      LYS   4 -14.968  -4.331   6.818
   27    HG3  LYS   4           HG1      LYS   4 -14.341  -2.704   6.548
   28    HD2  LYS   4           HD2      LYS   4 -16.395  -1.743   7.408
   29    HD3  LYS   4           HD1      LYS   4 -17.080  -3.356   7.626
   30    HE2  LYS   4           HE2      LYS   4 -14.583  -2.350   8.979
   31    HE3  LYS   4           HE1      LYS   4 -16.188  -2.350   9.710
   32    HZ1  LYS   4           HZ1      LYS   4 -14.848  -4.271  10.378
   33    HZ2  LYS   4           HZ2      LYS   4 -14.758  -4.779   8.760
   34    HZ3  LYS   4           HZ3      LYS   4 -16.256  -4.738   9.554
   35    H    GLY   5           HN       GLY   5 -12.913  -4.929   3.150
   36    HA2  GLY   5           HA2      GLY   5 -12.045  -6.981   4.334
   37    HA3  GLY   5           HA1      GLY   5 -13.702  -7.562   4.221
   38    H    VAL   6           HN       VAL   6 -10.978  -6.455   2.249
   39    HA   VAL   6           HA       VAL   6 -12.052  -7.654  -0.144
   40    HB   VAL   6           HB       VAL   6  -9.341  -6.426   0.331
   41   HG11  VAL   6          HG11      VAL   6 -10.765  -7.133  -2.229
   42   HG12  VAL   6          HG12      VAL   6  -9.307  -7.895  -1.592
   43   HG13  VAL   6          HG13      VAL   6  -9.264  -6.214  -2.129
   44   HG21  VAL   6          HG21      VAL   6 -11.849  -5.235  -0.843
   45   HG22  VAL   6          HG22      VAL   6 -10.275  -4.439  -0.777
   46   HG23  VAL   6          HG23      VAL   6 -11.134  -4.826   0.715
   47    H    GLY   7           HN       GLY   7  -8.810  -8.037   1.285
   48    HA2  GLY   7           HA2      GLY   7  -7.766 -10.048   1.926
   49    HA3  GLY   7           HA1      GLY   7  -9.134 -10.937   1.268
   50    H    VAL   8           HN       VAL   8  -5.950 -10.234   0.817
   51    HA   VAL   8           HA       VAL   8  -6.134 -10.520  -2.103
   52    HB   VAL   8           HB       VAL   8  -4.062  -9.410  -2.352
   53   HG11  VAL   8          HG11      VAL   8  -4.385  -7.261  -1.331
   54   HG12  VAL   8          HG12      VAL   8  -5.479  -7.959  -0.141
   55   HG13  VAL   8          HG13      VAL   8  -5.935  -7.926  -1.843
   56   HG21  VAL   8          HG21      VAL   8  -2.716  -8.695  -0.319
   57   HG22  VAL   8          HG22      VAL   8  -2.657 -10.398  -0.755
   58   HG23  VAL   8          HG23      VAL   8  -3.673  -9.865   0.591
   59    H    SER   9           HN       SER   9  -4.566 -11.909  -3.137
   60    HA   SER   9           HA       SER   9  -3.943 -14.298  -1.703
   61    HB2  SER   9           HB2      SER   9  -2.856 -13.438  -4.394
   62    HB3  SER   9           HB1      SER   9  -3.044 -15.084  -3.786
   63    HG   SER   9           HG       SER   9  -5.013 -15.075  -4.494
   64    H    ASN  10           HN       ASN  10  -1.634 -15.174  -1.756
   65    HA   ASN  10           HA       ASN  10   0.064 -13.350  -0.353
   66    HB2  ASN  10           HB2      ASN  10   0.049 -15.788   0.107
   67    HB3  ASN  10           HB1      ASN  10   0.706 -16.083  -1.498
   68   HD21  ASN  10          HD21      ASN  10   1.383 -14.991   1.719
   69   HD22  ASN  10          HD22      ASN  10   3.106 -14.924   1.556
   70    H    GLU  11           HN       GLU  11  -0.240 -14.510  -3.600
   71    HA   GLU  11           HA       GLU  11   2.161 -13.460  -4.658
   72    HB2  GLU  11           HB2      GLU  11   0.836 -15.112  -5.859
   73    HB3  GLU  11           HB1      GLU  11  -0.502 -13.979  -5.998
   74    HG2  GLU  11           HG2      GLU  11   1.081 -12.486  -7.283
   75    HG3  GLU  11           HG1      GLU  11   2.200 -13.850  -7.303
   76    H    LYS  12           HN       LYS  12  -1.025 -12.127  -4.070
   77    HA   LYS  12           HA       LYS  12  -0.683  -9.691  -5.458
   78    HB2  LYS  12           HB2      LYS  12  -2.501 -10.561  -3.242
   79    HB3  LYS  12           HB1      LYS  12  -2.440  -8.870  -3.725
   80    HG2  LYS  12           HG2      LYS  12  -2.832  -9.775  -6.117
   81    HG3  LYS  12           HG1      LYS  12  -3.343 -11.254  -5.298
   82    HD2  LYS  12           HD2      LYS  12  -5.092 -10.117  -4.160
   83    HD3  LYS  12           HD1      LYS  12  -4.474  -8.539  -4.654
   84    HE2  LYS  12           HE2      LYS  12  -6.356  -9.041  -6.024
   85    HE3  LYS  12           HE1      LYS  12  -4.906  -9.191  -7.013
   86    HZ1  LYS  12           HZ1      LYS  12  -6.513 -11.005  -7.369
   87    HZ2  LYS  12           HZ2      LYS  12  -6.322 -11.483  -5.753
   88    HZ3  LYS  12           HZ3      LYS  12  -5.013 -11.563  -6.824
   89    H    LEU  13           HN       LEU  13   0.315 -10.804  -2.316
   90    HA   LEU  13           HA       LEU  13   1.111  -8.308  -1.235
   91    HB2  LEU  13           HB2      LEU  13   0.821 -10.531  -0.032
   92    HB3  LEU  13           HB1      LEU  13   2.396 -10.980  -0.645
   93    HG   LEU  13           HG       LEU  13   3.399  -9.107   0.565
   94   HD11  LEU  13          HD11      LEU  13   1.604  -7.524   0.570
   95   HD12  LEU  13          HD12      LEU  13   2.028  -7.906   2.241
   96   HD13  LEU  13          HD13      LEU  13   0.588  -8.617   1.511
   97   HD21  LEU  13          HD21      LEU  13   3.270 -11.266   1.668
   98   HD22  LEU  13          HD22      LEU  13   1.661 -10.873   2.272
   99   HD23  LEU  13          HD23      LEU  13   3.060  -9.964   2.843
  100    H    ASP  14           HN       ASP  14   2.561 -10.416  -3.595
  101    HA   ASP  14           HA       ASP  14   5.168  -9.168  -3.424
  102    HB2  ASP  14           HB2      ASP  14   4.376 -11.583  -4.365
  103    HB3  ASP  14           HB1      ASP  14   4.461 -10.700  -5.867
  104    H    ALA  15           HN       ALA  15   2.215  -8.839  -5.184
  105    HA   ALA  15           HA       ALA  15   3.321  -7.324  -7.360
  106    HB1  ALA  15           HB1      ALA  15   0.423  -7.657  -6.574
  107    HB2  ALA  15           HB2      ALA  15   1.312  -8.751  -7.632
  108    HB3  ALA  15           HB3      ALA  15   1.032  -7.077  -8.125
  109    H    VAL  16           HN       VAL  16   1.846  -6.646  -4.279
  110    HA   VAL  16           HA       VAL  16   1.455  -3.873  -4.777
  111    HB   VAL  16           HB       VAL  16   0.138  -4.853  -3.034
  112   HG11  VAL  16          HG11      VAL  16   2.729  -5.544  -1.653
  113   HG12  VAL  16          HG12      VAL  16   1.630  -6.688  -2.422
  114   HG13  VAL  16          HG13      VAL  16   1.114  -5.791  -0.992
  115   HG21  VAL  16          HG21      VAL  16   2.240  -3.044  -1.836
  116   HG22  VAL  16          HG22      VAL  16   0.650  -3.369  -1.137
  117   HG23  VAL  16          HG23      VAL  16   0.780  -2.525  -2.684
  118    H    MET  17           HN       MET  17   4.001  -5.754  -3.197
  119    HA   MET  17           HA       MET  17   5.431  -3.570  -2.175
  120    HB2  MET  17           HB2      MET  17   6.428  -6.339  -2.912
  121    HB3  MET  17           HB1      MET  17   7.340  -5.153  -2.003
  122    HG2  MET  17           HG2      MET  17   5.663  -5.171  -0.248
  123    HG3  MET  17           HG1      MET  17   4.732  -6.352  -1.160
  124    HE1  MET  17           HE1      MET  17   8.956  -7.313   0.449
  125    HE2  MET  17           HE2      MET  17   8.217  -5.721   0.634
  126    HE3  MET  17           HE3      MET  17   8.644  -6.315  -0.970
  127    H    ARG  18           HN       ARG  18   5.561  -5.158  -5.344
  128    HA   ARG  18           HA       ARG  18   7.901  -3.835  -6.202
  129    HB2  ARG  18           HB2      ARG  18   7.224  -4.431  -8.487
  130    HB3  ARG  18           HB1      ARG  18   7.118  -5.799  -7.386
  131    HG2  ARG  18           HG2      ARG  18   4.810  -5.761  -7.375
  132    HG3  ARG  18           HG1      ARG  18   4.728  -4.113  -8.008
  133    HD2  ARG  18           HD2      ARG  18   5.773  -6.509  -9.506
  134    HD3  ARG  18           HD1      ARG  18   4.160  -5.823  -9.702
  135    HE   ARG  18           HE       ARG  18   5.797  -3.706 -10.151
  136   HH11  ARG  18          HH11      ARG  18   5.777  -6.966 -11.436
  137   HH12  ARG  18          HH12      ARG  18   6.306  -6.473 -13.015
  138   HH21  ARG  18          HH21      ARG  18   6.541  -3.066 -12.189
  139   HH22  ARG  18          HH22      ARG  18   6.775  -4.257 -13.437
  140    H    VAL  19           HN       VAL  19   4.490  -2.912  -6.218
  141    HA   VAL  19           HA       VAL  19   4.882  -0.661  -7.956
  142    HB   VAL  19           HB       VAL  19   2.612  -1.404  -6.090
  143   HG11  VAL  19          HG11      VAL  19   2.764   0.897  -8.033
  144   HG12  VAL  19          HG12      VAL  19   2.705   1.015  -6.276
  145   HG13  VAL  19          HG13      VAL  19   1.320   0.382  -7.162
  146   HG21  VAL  19          HG21      VAL  19   2.873  -2.840  -8.051
  147   HG22  VAL  19          HG22      VAL  19   2.806  -1.423  -9.101
  148   HG23  VAL  19          HG23      VAL  19   1.399  -1.880  -8.144
  149    H    VAL  20           HN       VAL  20   4.645  -1.230  -4.509
  150    HA   VAL  20           HA       VAL  20   4.889   1.395  -3.583
  151    HB   VAL  20           HB       VAL  20   5.598  -1.294  -2.410
  152   HG11  VAL  20          HG11      VAL  20   7.363   0.259  -1.646
  153   HG12  VAL  20          HG12      VAL  20   6.297  -0.238  -0.331
  154   HG13  VAL  20          HG13      VAL  20   6.117   1.361  -1.057
  155   HG21  VAL  20          HG21      VAL  20   3.921  -0.564  -0.725
  156   HG22  VAL  20          HG22      VAL  20   3.272  -0.651  -2.360
  157   HG23  VAL  20          HG23      VAL  20   3.679   0.914  -1.657
  158    H    SER  21           HN       SER  21   7.382  -0.997  -4.410
  159    HA   SER  21           HA       SER  21   9.545   0.634  -3.616
  160    HB2  SER  21           HB2      SER  21   9.299  -1.827  -5.233
  161    HB3  SER  21           HB1      SER  21  10.849  -1.031  -5.074
  162    HG   SER  21           HG       SER  21  10.820  -1.414  -2.919
  163    H    GLU  22           HN       GLU  22   8.062   0.018  -6.750
  164    HA   GLU  22           HA       GLU  22   9.867   1.525  -8.284
  165    HB2  GLU  22           HB2      GLU  22   6.971   0.828  -8.822
  166    HB3  GLU  22           HB1      GLU  22   8.042   1.566 -10.005
  167    HG2  GLU  22           HG2      GLU  22   9.527  -0.372  -9.872
  168    HG3  GLU  22           HG1      GLU  22   8.448  -1.120  -8.700
  169    H    GLU  23           HN       GLU  23   7.129   2.531  -6.336
  170    HA   GLU  23           HA       GLU  23   7.289   5.242  -7.387
  171    HB2  GLU  23           HB2      GLU  23   5.478   3.901  -5.401
  172    HB3  GLU  23           HB1      GLU  23   5.512   5.647  -5.552
  173    HG2  GLU  23           HG2      GLU  23   4.880   3.694  -7.750
  174    HG3  GLU  23           HG1      GLU  23   3.706   4.663  -6.862
  175    H    SER  24           HN       SER  24   8.134   3.491  -4.441
  176    HA   SER  24           HA       SER  24   8.722   5.825  -2.907
  177    HB2  SER  24           HB2      SER  24   9.724   4.211  -1.308
  178    HB3  SER  24           HB1      SER  24   8.094   3.768  -1.798
  179    HG   SER  24           HG       SER  24   8.831   2.079  -2.835
  180    H    GLY  25           HN       GLY  25  10.689   3.490  -4.701
  181    HA2  GLY  25           HA2      GLY  25  12.771   4.173  -5.752
  182    HA3  GLY  25           HA1      GLY  25  12.971   5.359  -4.467
  183    H    ILE  26           HN       ILE  26  11.821   2.763  -2.933
  184    HA   ILE  26           HA       ILE  26  14.484   1.898  -2.080
  185    HB   ILE  26           HB       ILE  26  11.914   0.904  -0.880
  186   HG12  ILE  26          HG12      ILE  26  13.241   3.444   0.078
  187   HG13  ILE  26          HG11      ILE  26  11.934   3.484  -1.097
  188   HG21  ILE  26          HG21      ILE  26  14.647   1.474   0.270
  189   HG22  ILE  26          HG22      ILE  26  14.005  -0.111  -0.161
  190   HG23  ILE  26          HG23      ILE  26  13.278   0.805   1.159
  191   HD11  ILE  26          HD11      ILE  26  10.437   2.432   0.487
  192   HD12  ILE  26          HD12      ILE  26  11.168   3.870   1.210
  193   HD13  ILE  26          HD13      ILE  26  11.755   2.267   1.650
  194    H    ALA  27           HN       ALA  27  15.313   0.151  -3.047
  195    HA   ALA  27           HA       ALA  27  14.137  -1.542  -4.834
  196    HB1  ALA  27           HB1      ALA  27  16.550  -1.448  -4.388
  197    HB2  ALA  27           HB2      ALA  27  15.944  -3.105  -4.405
  198    HB3  ALA  27           HB3      ALA  27  16.289  -2.310  -2.870
  199    H    LEU  28           HN       LEU  28  13.064  -3.449  -4.833
  200    HA   LEU  28           HA       LEU  28  11.178  -4.033  -2.892
  201    HB2  LEU  28           HB2      LEU  28  10.939  -4.852  -5.125
  202    HB3  LEU  28           HB1      LEU  28  12.450  -5.731  -5.039
  203    HG   LEU  28           HG       LEU  28  11.319  -7.156  -3.231
  204   HD11  LEU  28          HD11      LEU  28   8.889  -7.294  -3.371
  205   HD12  LEU  28          HD12      LEU  28   8.871  -5.928  -4.481
  206   HD13  LEU  28          HD13      LEU  28   9.405  -5.701  -2.816
  207   HD21  LEU  28          HD21      LEU  28  10.321  -8.602  -4.914
  208   HD22  LEU  28          HD22      LEU  28  11.847  -7.928  -5.487
  209   HD23  LEU  28          HD23      LEU  28  10.319  -7.270  -6.071
  210    H    GLU  29           HN       GLU  29  14.441  -5.286  -3.267
  211    HA   GLU  29           HA       GLU  29  14.118  -7.425  -1.395
  212    HB2  GLU  29           HB2      GLU  29  16.702  -6.220  -2.367
  213    HB3  GLU  29           HB1      GLU  29  16.427  -7.847  -1.755
  214    HG2  GLU  29           HG2      GLU  29  15.041  -6.843  -4.214
  215    HG3  GLU  29           HG1      GLU  29  16.649  -7.568  -4.284
  216    H    GLU  30           HN       GLU  30  14.428  -4.139  -1.005
  217    HA   GLU  30           HA       GLU  30  15.760  -4.391   1.609
  218    HB2  GLU  30           HB2      GLU  30  15.343  -1.831   0.079
  219    HB3  GLU  30           HB1      GLU  30  16.417  -2.120   1.446
  220    HG2  GLU  30           HG2      GLU  30  16.771  -2.966  -1.410
  221    HG3  GLU  30           HG1      GLU  30  17.773  -1.888  -0.455
  222    H    LEU  31           HN       LEU  31  12.809  -4.105   0.158
  223    HA   LEU  31           HA       LEU  31  11.640  -2.123   1.862
  224    HB2  LEU  31           HB2      LEU  31  10.805  -2.705  -0.434
  225    HB3  LEU  31           HB1      LEU  31  10.234  -4.236   0.216
  226    HG   LEU  31           HG       LEU  31   8.841  -2.902   1.843
  227   HD11  LEU  31          HD11      LEU  31   9.994  -0.800   1.738
  228   HD12  LEU  31          HD12      LEU  31   8.334  -0.583   1.179
  229   HD13  LEU  31          HD13      LEU  31   9.658  -0.658   0.014
  230   HD21  LEU  31          HD21      LEU  31   8.280  -2.574  -1.090
  231   HD22  LEU  31          HD22      LEU  31   7.099  -2.435   0.211
  232   HD23  LEU  31          HD23      LEU  31   7.881  -3.982  -0.107
  233    H    THR  32           HN       THR  32  11.791  -2.614   3.960
  234    HA   THR  32           HA       THR  32  10.767  -5.215   4.869
  235    HB   THR  32           HB       THR  32  12.111  -4.859   6.913
  236    HG1  THR  32           HG1      THR  32  13.376  -2.647   5.700
  237   HG21  THR  32          HG21      THR  32  13.727  -4.512   4.360
  238   HG22  THR  32          HG22      THR  32  13.240  -6.047   5.094
  239   HG23  THR  32          HG23      THR  32  14.389  -4.996   5.920
  240    H    ASP  33           HN       ASP  33   9.534  -5.170   6.926
  241    HA   ASP  33           HA       ASP  33   7.580  -3.067   6.832
  242    HB2  ASP  33           HB2      ASP  33   6.552  -4.331   8.756
  243    HB3  ASP  33           HB1      ASP  33   6.703  -5.216   7.244
  244    H    ASP  34           HN       ASP  34  10.525  -3.315   8.302
  245    HA   ASP  34           HA       ASP  34  10.063  -1.833  10.700
  246    HB2  ASP  34           HB2      ASP  34  12.557  -2.178   9.017
  247    HB3  ASP  34           HB1      ASP  34  12.521  -1.416  10.606
  248    H    SER  35           HN       SER  35  10.188  -1.038   7.392
  249    HA   SER  35           HA       SER  35  11.275   1.622   7.687
  250    HB2  SER  35           HB2      SER  35  11.587   0.192   5.643
  251    HB3  SER  35           HB1      SER  35   9.876   0.421   5.288
  252    HG   SER  35           HG       SER  35  11.957   2.065   4.824
  253    H    ASN  36           HN       ASN  36  10.193   3.526   7.017
  254    HA   ASN  36           HA       ASN  36   7.315   3.534   7.675
  255    HB2  ASN  36           HB2      ASN  36   8.826   4.359   9.548
  256    HB3  ASN  36           HB1      ASN  36   9.329   5.651   8.476
  257   HD21  ASN  36          HD21      ASN  36   6.790   4.536  10.589
  258   HD22  ASN  36          HD22      ASN  36   5.803   5.939  10.428
  259    H    PHE  37           HN       PHE  37   6.156   4.426   6.061
  260    HA   PHE  37           HA       PHE  37   7.280   5.227   3.641
  261    HB2  PHE  37           HB2      PHE  37   4.545   5.533   4.838
  262    HB3  PHE  37           HB1      PHE  37   4.917   6.306   3.298
  263    HD1  PHE  37           HD1      PHE  37   6.423   4.548   1.777
  264    HD2  PHE  37           HD2      PHE  37   3.371   3.559   4.573
  265    HE1  PHE  37           HE1      PHE  37   6.029   2.438   0.593
  266    HE2  PHE  37           HE2      PHE  37   2.972   1.433   3.393
  267    HZ   PHE  37           HZ       PHE  37   4.300   0.875   1.395
  268    H    ALA  38           HN       ALA  38   5.989   7.238   6.269
  269    HA   ALA  38           HA       ALA  38   6.479   9.698   4.923
  270    HB1  ALA  38           HB1      ALA  38   6.019   9.145   7.848
  271    HB2  ALA  38           HB2      ALA  38   4.781   9.498   6.640
  272    HB3  ALA  38           HB3      ALA  38   5.967  10.730   7.077
  273    H    ASP  39           HN       ASP  39   8.355   7.666   7.080
  274    HA   ASP  39           HA       ASP  39  10.388   9.562   7.687
  275    HB2  ASP  39           HB2      ASP  39  10.131   7.544   9.048
  276    HB3  ASP  39           HB1      ASP  39  10.488   6.530   7.653
  277    H    MET  40           HN       MET  40   9.814   7.371   5.060
  278    HA   MET  40           HA       MET  40  12.490   7.634   4.022
  279    HB2  MET  40           HB2      MET  40  10.040   6.197   3.062
  280    HB3  MET  40           HB1      MET  40  11.471   6.354   2.044
  281    HG2  MET  40           HG2      MET  40  11.533   5.252   4.825
  282    HG3  MET  40           HG1      MET  40  11.343   4.246   3.385
  283    HE1  MET  40           HE1      MET  40  15.060   3.586   4.565
  284    HE2  MET  40           HE2      MET  40  13.511   2.835   4.185
  285    HE3  MET  40           HE3      MET  40  13.661   3.878   5.599
  286    H    GLY  41           HN       GLY  41   9.560   9.333   3.744
  287    HA2  GLY  41           HA2      GLY  41   9.621  11.574   2.831
  288    HA3  GLY  41           HA1      GLY  41  10.799  11.014   1.653
  289    H    ILE  42           HN       ILE  42   8.075   8.994   2.266
  290    HA   ILE  42           HA       ILE  42   7.191   9.084  -0.420
  291    HB   ILE  42           HB       ILE  42   5.890   8.003   2.085
  292   HG12  ILE  42          HG12      ILE  42   7.965   6.937   1.249
  293   HG13  ILE  42          HG11      ILE  42   6.573   5.857   1.234
  294   HG21  ILE  42          HG21      ILE  42   4.912   7.831  -0.750
  295   HG22  ILE  42          HG22      ILE  42   4.072   8.525   0.641
  296   HG23  ILE  42          HG23      ILE  42   4.353   6.786   0.554
  297   HD11  ILE  42          HD11      ILE  42   7.762   7.294  -1.131
  298   HD12  ILE  42          HD12      ILE  42   6.318   6.283  -1.178
  299   HD13  ILE  42          HD13      ILE  42   7.879   5.569  -0.773
  300    H    ASP  43           HN       ASP  43   6.341  10.794  -1.329
  301    HA   ASP  43           HA       ASP  43   5.122  12.938   0.159
  302    HB2  ASP  43           HB2      ASP  43   6.589  13.242  -1.855
  303    HB3  ASP  43           HB1      ASP  43   5.307  12.554  -2.841
  304    H    SER  44           HN       SER  44   3.030  13.854  -0.387
  305    HA   SER  44           HA       SER  44   0.876  12.119  -0.185
  306    HB2  SER  44           HB2      SER  44   0.723  14.449   0.439
  307    HB3  SER  44           HB1      SER  44   0.983  14.954  -1.232
  308    H    LEU  45           HN       LEU  45   2.342  13.648  -3.003
  309    HA   LEU  45           HA       LEU  45   0.451  12.841  -4.920
  310    HB2  LEU  45           HB2      LEU  45   2.308  14.569  -5.164
  311    HB3  LEU  45           HB1      LEU  45   3.422  13.234  -5.364
  312    HG   LEU  45           HG       LEU  45   2.640  14.419  -7.465
  313   HD11  LEU  45          HD11      LEU  45   2.234  11.438  -7.286
  314   HD12  LEU  45          HD12      LEU  45   3.769  12.270  -7.533
  315   HD13  LEU  45          HD13      LEU  45   2.512  12.358  -8.766
  316   HD21  LEU  45          HD21      LEU  45   0.290  14.626  -6.890
  317   HD22  LEU  45          HD22      LEU  45   0.118  12.870  -6.874
  318   HD23  LEU  45          HD23      LEU  45   0.486  13.708  -8.381
  319    H    SER  46           HN       SER  46   3.581  11.358  -4.023
  320    HA   SER  46           HA       SER  46   3.391   9.100  -5.634
  321    HB2  SER  46           HB2      SER  46   4.690   9.261  -2.903
  322    HB3  SER  46           HB1      SER  46   5.089   8.133  -4.198
  323    HG   SER  46           HG       SER  46   6.095   9.683  -5.287
  324    H    SER  47           HN       SER  47   2.289   9.619  -2.316
  325    HA   SER  47           HA       SER  47   1.429   7.030  -1.754
  326    HB2  SER  47           HB2      SER  47   0.274   9.647  -0.773
  327    HB3  SER  47           HB1      SER  47   0.027   8.068  -0.027
  328    HG   SER  47           HG       SER  47   2.354   9.645  -0.142
  329    H    MET  48           HN       MET  48  -0.176   9.672  -3.424
  330    HA   MET  48           HA       MET  48  -2.736   8.375  -3.549
  331    HB2  MET  48           HB2      MET  48  -2.274  10.878  -3.713
  332    HB3  MET  48           HB1      MET  48  -1.753  10.573  -5.359
  333    HG2  MET  48           HG2      MET  48  -4.072  11.345  -5.276
  334    HG3  MET  48           HG1      MET  48  -3.946   9.709  -5.929
  335    HE1  MET  48           HE1      MET  48  -6.718  10.948  -4.928
  336    HE2  MET  48           HE2      MET  48  -7.369   9.562  -4.054
  337    HE3  MET  48           HE3      MET  48  -6.529   9.322  -5.585
  338    H    VAL  49           HN       VAL  49   0.105   8.610  -5.565
  339    HA   VAL  49           HA       VAL  49  -1.060   7.506  -7.901
  340    HB   VAL  49           HB       VAL  49   1.816   7.803  -6.978
  341   HG11  VAL  49          HG11      VAL  49   2.504   7.159  -9.239
  342   HG12  VAL  49          HG12      VAL  49   0.831   6.766  -9.640
  343   HG13  VAL  49          HG13      VAL  49   1.686   5.837  -8.408
  344   HG21  VAL  49          HG21      VAL  49   0.246   9.196  -9.161
  345   HG22  VAL  49          HG22      VAL  49   1.928   9.504  -8.735
  346   HG23  VAL  49          HG23      VAL  49   0.647   9.879  -7.583
  347    H    ILE  50           HN       ILE  50   0.984   6.135  -5.305
  348    HA   ILE  50           HA       ILE  50   1.031   3.494  -6.084
  349    HB   ILE  50           HB       ILE  50   0.705   4.518  -3.261
  350   HG12  ILE  50          HG12      ILE  50   3.221   3.886  -4.812
  351   HG13  ILE  50          HG11      ILE  50   2.613   5.511  -4.521
  352   HG21  ILE  50          HG21      ILE  50   0.277   2.125  -3.456
  353   HG22  ILE  50          HG22      ILE  50   1.793   2.424  -2.606
  354   HG23  ILE  50          HG23      ILE  50   1.815   1.909  -4.293
  355   HD11  ILE  50          HD11      ILE  50   3.415   3.577  -2.362
  356   HD12  ILE  50          HD12      ILE  50   2.949   5.266  -2.157
  357   HD13  ILE  50          HD13      ILE  50   4.440   4.861  -3.005
  358    H    GLY  51           HN       GLY  51  -1.370   5.050  -3.958
  359    HA2  GLY  51           HA2      GLY  51  -3.089   2.847  -3.706
  360    HA3  GLY  51           HA1      GLY  51  -3.551   4.527  -3.473
  361    H    SER  52           HN       SER  52  -2.898   5.337  -6.179
  362    HA   SER  52           HA       SER  52  -5.345   4.585  -7.451
  363    HB2  SER  52           HB2      SER  52  -3.769   6.769  -7.719
  364    HB3  SER  52           HB1      SER  52  -3.267   5.847  -9.141
  365    HG   SER  52           HG       SER  52  -5.219   6.028 -10.009
  366    H    ARG  53           HN       ARG  53  -1.916   3.838  -8.080
  367    HA   ARG  53           HA       ARG  53  -2.389   2.288 -10.385
  368    HB2  ARG  53           HB2      ARG  53  -0.128   1.932  -8.410
  369    HB3  ARG  53           HB1      ARG  53  -0.163   1.345 -10.064
  370    HG2  ARG  53           HG2      ARG  53  -0.447   3.879 -10.638
  371    HG3  ARG  53           HG1      ARG  53   0.239   4.103  -9.032
  372    HD2  ARG  53           HD2      ARG  53   2.232   3.934 -10.062
  373    HD3  ARG  53           HD1      ARG  53   1.882   2.206 -10.038
  374    HE   ARG  53           HE       ARG  53   0.771   2.867 -12.356
  375   HH11  ARG  53          HH11      ARG  53   3.862   3.843 -11.000
  376   HH12  ARG  53          HH12      ARG  53   4.662   3.887 -12.538
  377   HH21  ARG  53          HH21      ARG  53   1.811   2.979 -14.382
  378   HH22  ARG  53          HH22      ARG  53   3.492   3.434 -14.460
  379    H    PHE  54           HN       PHE  54  -2.462   1.550  -6.967
  380    HA   PHE  54           HA       PHE  54  -2.704  -1.213  -6.967
  381    HB2  PHE  54           HB2      PHE  54  -4.135   0.931  -5.391
  382    HB3  PHE  54           HB1      PHE  54  -4.513  -0.768  -5.166
  383    HD1  PHE  54           HD1      PHE  54  -1.179  -0.849  -5.924
  384    HD2  PHE  54           HD2      PHE  54  -3.815   0.435  -2.850
  385    HE1  PHE  54           HE1      PHE  54   0.642  -1.041  -4.280
  386    HE2  PHE  54           HE2      PHE  54  -2.015   0.224  -1.200
  387    HZ   PHE  54           HZ       PHE  54   0.227  -0.515  -1.913
  388    H    ARG  55           HN       ARG  55  -5.135   1.247  -7.719
  389    HA   ARG  55           HA       ARG  55  -7.199  -0.767  -7.973
  390    HB2  ARG  55           HB2      ARG  55  -7.545   2.154  -8.619
  391    HB3  ARG  55           HB1      ARG  55  -8.735   1.005  -8.034
  392    HG2  ARG  55           HG2      ARG  55  -7.738   0.994  -5.846
  393    HG3  ARG  55           HG1      ARG  55  -6.402   1.993  -6.414
  394    HD2  ARG  55           HD2      ARG  55  -9.299   2.817  -6.320
  395    HD3  ARG  55           HD1      ARG  55  -8.047   3.316  -5.182
  396    HE   ARG  55           HE       ARG  55  -6.983   4.512  -6.999
  397   HH11  ARG  55          HH11      ARG  55 -10.255   3.415  -7.518
  398   HH12  ARG  55          HH12      ARG  55 -10.578   4.543  -8.805
  399   HH21  ARG  55          HH21      ARG  55  -7.368   6.001  -8.712
  400   HH22  ARG  55          HH22      ARG  55  -8.920   6.012  -9.493
  401    H    GLU  56           HN       GLU  56  -5.312   1.358 -10.072
  402    HA   GLU  56           HA       GLU  56  -7.005   0.729 -12.340
  403    HB2  GLU  56           HB2      GLU  56  -4.616   2.572 -12.135
  404    HB3  GLU  56           HB1      GLU  56  -5.710   2.453 -13.512
  405    HG2  GLU  56           HG2      GLU  56  -7.568   3.171 -12.082
  406    HG3  GLU  56           HG1      GLU  56  -6.459   3.312 -10.723
  407    H    ASP  57           HN       ASP  57  -3.581   0.386 -11.448
  408    HA   ASP  57           HA       ASP  57  -2.985  -1.102 -13.840
  409    HB2  ASP  57           HB2      ASP  57  -1.359  -0.465 -11.381
  410    HB3  ASP  57           HB1      ASP  57  -0.749  -1.479 -12.680
  411    H    LEU  58           HN       LEU  58  -3.113  -1.878 -10.374
  412    HA   LEU  58           HA       LEU  58  -2.671  -4.692 -10.897
  413    HB2  LEU  58           HB2      LEU  58  -2.494  -2.893  -8.648
  414    HB3  LEU  58           HB1      LEU  58  -3.482  -4.263  -8.175
  415    HG   LEU  58           HG       LEU  58  -1.570  -5.754  -8.923
  416   HD11  LEU  58          HD11      LEU  58   0.668  -4.679  -8.987
  417   HD12  LEU  58          HD12      LEU  58  -0.135  -3.110  -9.070
  418   HD13  LEU  58          HD13      LEU  58  -0.345  -4.279 -10.372
  419   HD21  LEU  58          HD21      LEU  58  -0.249  -5.324  -6.900
  420   HD22  LEU  58          HD22      LEU  58  -1.984  -5.275  -6.584
  421   HD23  LEU  58          HD23      LEU  58  -1.065  -3.771  -6.710
  422    H    GLY  59           HN       GLY  59  -5.304  -2.875  -9.281
  423    HA2  GLY  59           HA2      GLY  59  -7.597  -3.405 -10.190
  424    HA3  GLY  59           HA1      GLY  59  -7.121  -5.089 -10.020
  425    H    LEU  60           HN       LEU  60  -6.111  -2.792  -7.630
  426    HA   LEU  60           HA       LEU  60  -7.862  -4.092  -5.665
  427    HB2  LEU  60           HB2      LEU  60  -5.519  -2.297  -5.101
  428    HB3  LEU  60           HB1      LEU  60  -6.302  -3.415  -4.011
  429    HG   LEU  60           HG       LEU  60  -4.724  -4.283  -6.420
  430   HD11  LEU  60          HD11      LEU  60  -2.928  -4.779  -4.816
  431   HD12  LEU  60          HD12      LEU  60  -3.869  -4.004  -3.538
  432   HD13  LEU  60          HD13      LEU  60  -3.288  -3.054  -4.904
  433   HD21  LEU  60          HD21      LEU  60  -5.715  -5.764  -3.981
  434   HD22  LEU  60          HD22      LEU  60  -4.733  -6.445  -5.278
  435   HD23  LEU  60          HD23      LEU  60  -6.371  -5.891  -5.614
  436    H    ASP  61           HN       ASP  61  -9.760  -2.806  -5.857
  437    HA   ASP  61           HA       ASP  61  -9.357   0.085  -5.549
  438    HB2  ASP  61           HB2      ASP  61 -10.738  -0.727  -7.496
  439    HB3  ASP  61           HB1      ASP  61 -11.939  -1.282  -6.325
  440    H    LEU  62           HN       LEU  62  -8.835  -0.222  -3.349
  441    HA   LEU  62           HA       LEU  62 -10.734  -1.145  -1.446
  442    HB2  LEU  62           HB2      LEU  62  -8.453   0.791  -1.076
  443    HB3  LEU  62           HB1      LEU  62  -9.260  -0.108   0.195
  444    HG   LEU  62           HG       LEU  62  -7.555  -1.291  -2.002
  445   HD11  LEU  62          HD11      LEU  62  -5.984  -1.760  -0.221
  446   HD12  LEU  62          HD12      LEU  62  -7.060  -1.004   0.953
  447   HD13  LEU  62          HD13      LEU  62  -6.313  -0.027  -0.308
  448   HD21  LEU  62          HD21      LEU  62  -8.901  -2.597   0.363
  449   HD22  LEU  62          HD22      LEU  62  -7.778  -3.381  -0.748
  450   HD23  LEU  62          HD23      LEU  62  -9.342  -2.813  -1.334
  451    H    GLY  63           HN       GLY  63 -10.002   1.873  -2.978
  452    HA2  GLY  63           HA2      GLY  63 -12.499   2.974  -2.778
  453    HA3  GLY  63           HA1      GLY  63 -11.612   3.574  -1.382
  454    HA   PRO  64           HA       PRO  64 -10.473   5.820  -5.382
  455    HB2  PRO  64           HB2      PRO  64 -12.206   7.865  -5.494
  456    HB3  PRO  64           HB1      PRO  64 -12.630   6.250  -6.093
  457    HG2  PRO  64           HG2      PRO  64 -13.368   7.577  -3.523
  458    HG3  PRO  64           HG1      PRO  64 -14.357   6.551  -4.571
  459    HD2  PRO  64           HD2      PRO  64 -13.063   5.712  -2.257
  460    HD3  PRO  64           HD1      PRO  64 -13.608   4.646  -3.563
  461    H    GLU  65           HN       GLU  65 -10.875   6.688  -2.125
  462    HA   GLU  65           HA       GLU  65  -9.173   9.056  -2.474
  463    HB2  GLU  65           HB2      GLU  65 -11.640   9.560  -2.157
  464    HB3  GLU  65           HB1      GLU  65 -11.492   8.876  -0.542
  465    HG2  GLU  65           HG2      GLU  65 -10.076  10.627   0.170
  466    HG3  GLU  65           HG1      GLU  65  -9.831  11.201  -1.481
  467    H    PHE  66           HN       PHE  66  -8.537   6.330  -1.721
  468    HA   PHE  66           HA       PHE  66  -7.759   6.564   1.090
  469    HB2  PHE  66           HB2      PHE  66  -8.740   4.428   0.229
  470    HB3  PHE  66           HB1      PHE  66  -7.353   4.262  -0.839
  471    HD1  PHE  66           HD2      PHE  66  -8.463   4.198   2.674
  472    HD2  PHE  66           HD1      PHE  66  -5.264   3.491  -0.042
  473    HE1  PHE  66           HE2      PHE  66  -7.235   2.999   4.433
  474    HE2  PHE  66           HE1      PHE  66  -4.037   2.284   1.708
  475    HZ   PHE  66           HZ       PHE  66  -5.015   2.039   3.955
  476    H    SER  67           HN       SER  67  -5.802   7.389   1.600
  477    HA   SER  67           HA       SER  67  -3.694   7.197  -0.442
  478    HB2  SER  67           HB2      SER  67  -4.696   9.504  -0.313
  479    HB3  SER  67           HB1      SER  67  -4.121   9.601   1.350
  480    HG   SER  67           HG       SER  67  -2.781  10.149  -0.851
  481    H    LEU  68           HN       LEU  68  -1.801   6.467   0.241
  482    HA   LEU  68           HA       LEU  68  -1.481   5.283   2.749
  483    HB2  LEU  68           HB2      LEU  68   0.697   6.223   0.886
  484    HB3  LEU  68           HB1      LEU  68   0.881   5.056   2.175
  485    HG   LEU  68           HG       LEU  68  -0.651   4.719  -0.392
  486   HD11  LEU  68          HD11      LEU  68   0.956   2.762  -0.547
  487   HD12  LEU  68          HD12      LEU  68   1.839   3.522   0.782
  488   HD13  LEU  68          HD13      LEU  68   1.644   4.377  -0.752
  489   HD21  LEU  68          HD21      LEU  68  -0.488   2.869   1.980
  490   HD22  LEU  68          HD22      LEU  68  -1.179   2.463   0.408
  491   HD23  LEU  68          HD23      LEU  68  -1.927   3.710   1.408
  492    H    PHE  69           HN       PHE  69  -0.500   8.430   1.539
  493    HA   PHE  69           HA       PHE  69   1.233   9.152   3.620
  494    HB2  PHE  69           HB2      PHE  69   1.069  10.245   1.377
  495    HB3  PHE  69           HB1      PHE  69  -0.445  10.985   1.883
  496    HD1  PHE  69           HD1      PHE  69   2.779  10.559   3.702
  497    HD2  PHE  69           HD2      PHE  69  -0.062  13.233   2.013
  498    HE1  PHE  69           HE1      PHE  69   4.032  12.464   4.629
  499    HE2  PHE  69           HE2      PHE  69   1.180  15.146   2.946
  500    HZ   PHE  69           HZ       PHE  69   3.231  14.764   4.256
  501    H    ILE  70           HN       ILE  70  -2.124   8.742   3.688
  502    HA   ILE  70           HA       ILE  70  -2.398  10.669   5.904
  503    HB   ILE  70           HB       ILE  70  -4.591   9.624   4.070
  504   HG12  ILE  70          HG12      ILE  70  -3.519  12.410   4.571
  505   HG13  ILE  70          HG11      ILE  70  -3.223  11.453   3.129
  506   HG21  ILE  70          HG21      ILE  70  -5.409   9.734   6.361
  507   HG22  ILE  70          HG22      ILE  70  -6.138  10.988   5.358
  508   HG23  ILE  70          HG23      ILE  70  -4.850  11.403   6.489
  509   HD11  ILE  70          HD11      ILE  70  -5.613  11.500   2.610
  510   HD12  ILE  70          HD12      ILE  70  -4.920  13.117   2.708
  511   HD13  ILE  70          HD13      ILE  70  -5.898  12.495   4.040
  512    H    ASP  71           HN       ASP  71  -3.127   7.335   4.885
  513    HA   ASP  71           HA       ASP  71  -3.662   6.747   7.718
  514    HB2  ASP  71           HB2      ASP  71  -5.412   6.252   5.394
  515    HB3  ASP  71           HB1      ASP  71  -5.313   4.989   6.616
  516    H    CYS  72           HN       CYS  72  -1.401   6.210   5.798
  517    HA   CYS  72           HA       CYS  72  -0.936   3.520   6.811
  518    HB2  CYS  72           HB2      CYS  72  -0.565   4.284   3.906
  519    HB3  CYS  72           HB1      CYS  72   0.099   2.824   4.635
  520    HG   CYS  72           HG       CYS  72  -3.020   2.770   5.411
  521    H    THR  73           HN       THR  73   0.664   4.004   8.181
  522    HA   THR  73           HA       THR  73   2.506   6.155   7.480
  523    HB   THR  73           HB       THR  73   3.206   5.902   9.893
  524    HG1  THR  73           HG1      THR  73   1.262   4.711  10.998
  525   HG21  THR  73          HG21      THR  73   0.283   6.433   9.319
  526   HG22  THR  73          HG22      THR  73   1.592   7.607   9.209
  527   HG23  THR  73          HG23      THR  73   1.140   6.933  10.776
  528    H    THR  74           HN       THR  74   2.771   2.795   8.738
  529    HA   THR  74           HA       THR  74   5.534   2.740   7.769
  530    HB   THR  74           HB       THR  74   5.783   0.636   8.976
  531    HG1  THR  74           HG1      THR  74   3.552   0.423  10.369
  532   HG21  THR  74          HG21      THR  74   4.352   2.704  10.654
  533   HG22  THR  74          HG22      THR  74   6.068   2.719  10.249
  534   HG23  THR  74          HG23      THR  74   5.413   1.436  11.269
  535    H    VAL  75           HN       VAL  75   6.023   0.262   6.948
  536    HA   VAL  75           HA       VAL  75   4.567   0.141   4.454
  537    HB   VAL  75           HB       VAL  75   6.390  -2.078   5.073
  538   HG11  VAL  75          HG11      VAL  75   7.269  -1.508   2.853
  539   HG12  VAL  75          HG12      VAL  75   6.200  -0.106   2.810
  540   HG13  VAL  75          HG13      VAL  75   5.518  -1.734   2.852
  541   HG21  VAL  75          HG21      VAL  75   7.589  -0.432   6.293
  542   HG22  VAL  75          HG22      VAL  75   7.404   0.746   4.992
  543   HG23  VAL  75          HG23      VAL  75   8.412  -0.683   4.753
  544    H    ARG  76           HN       ARG  76   5.006  -1.853   7.330
  545    HA   ARG  76           HA       ARG  76   3.495  -4.047   6.511
  546    HB2  ARG  76           HB2      ARG  76   4.929  -4.129   8.487
  547    HB3  ARG  76           HB1      ARG  76   3.875  -2.981   9.310
  548    HG2  ARG  76           HG2      ARG  76   3.111  -4.970  10.166
  549    HG3  ARG  76           HG1      ARG  76   2.036  -4.733   8.789
  550    HD2  ARG  76           HD2      ARG  76   3.655  -6.186   7.463
  551    HD3  ARG  76           HD1      ARG  76   4.362  -6.616   9.023
  552    HE   ARG  76           HE       ARG  76   1.493  -7.020   8.504
  553   HH11  ARG  76          HH11      ARG  76   4.621  -8.275   9.447
  554   HH12  ARG  76          HH12      ARG  76   4.005  -9.849   9.848
  555   HH21  ARG  76          HH21      ARG  76   0.665  -9.057   9.082
  556   HH22  ARG  76          HH22      ARG  76   1.768 -10.306   9.619
  557    H    ALA  77           HN       ALA  77   2.557  -0.913   7.720
  558    HA   ALA  77           HA       ALA  77  -0.093  -1.427   8.439
  559    HB1  ALA  77           HB1      ALA  77   1.056   0.705   8.866
  560    HB2  ALA  77           HB2      ALA  77  -0.500   0.937   8.070
  561    HB3  ALA  77           HB3      ALA  77   0.995   1.074   7.142
  562    H    LEU  78           HN       LEU  78   1.397  -0.992   5.297
  563    HA   LEU  78           HA       LEU  78  -1.110  -1.007   3.850
  564    HB2  LEU  78           HB2      LEU  78   1.453  -0.221   3.290
  565    HB3  LEU  78           HB1      LEU  78   1.362  -1.742   2.435
  566    HG   LEU  78           HG       LEU  78  -0.535   0.562   2.042
  567   HD11  LEU  78          HD11      LEU  78   1.837  -0.331   0.409
  568   HD12  LEU  78          HD12      LEU  78   1.744   1.132   1.388
  569   HD13  LEU  78          HD13      LEU  78   0.709   0.951  -0.033
  570   HD21  LEU  78          HD21      LEU  78  -1.159  -0.603  -0.008
  571   HD22  LEU  78          HD22      LEU  78  -1.531  -1.564   1.431
  572   HD23  LEU  78          HD23      LEU  78  -0.118  -1.954   0.442
  573    H    LYS  79           HN       LYS  79   1.603  -3.186   4.378
  574    HA   LYS  79           HA       LYS  79   0.825  -5.355   2.861
  575    HB2  LYS  79           HB2      LYS  79   2.193  -5.576   5.542
  576    HB3  LYS  79           HB1      LYS  79   2.331  -6.680   4.176
  577    HG2  LYS  79           HG2      LYS  79   3.230  -3.823   4.023
  578    HG3  LYS  79           HG1      LYS  79   4.281  -5.105   4.618
  579    HD2  LYS  79           HD2      LYS  79   3.811  -6.314   2.445
  580    HD3  LYS  79           HD1      LYS  79   3.041  -4.827   1.888
  581    HE2  LYS  79           HE2      LYS  79   5.287  -4.823   1.088
  582    HE3  LYS  79           HE1      LYS  79   5.177  -3.626   2.387
  583    HZ1  LYS  79           HZ1      LYS  79   7.183  -5.002   2.551
  584    HZ2  LYS  79           HZ2      LYS  79   6.235  -6.397   2.683
  585    HZ3  LYS  79           HZ3      LYS  79   6.178  -5.224   3.894
  586    H    ASP  80           HN       ASP  80   0.269  -4.837   6.311
  587    HA   ASP  80           HA       ASP  80  -1.146  -7.282   6.633
  588    HB2  ASP  80           HB2      ASP  80   0.259  -5.907   8.328
  589    HB3  ASP  80           HB1      ASP  80  -1.233  -5.012   8.595
  590    H    PHE  81           HN       PHE  81  -2.041  -4.125   5.686
  591    HA   PHE  81           HA       PHE  81  -4.750  -4.182   6.563
  592    HB2  PHE  81           HB2      PHE  81  -3.547  -2.070   6.089
  593    HB3  PHE  81           HB1      PHE  81  -3.465  -2.511   4.383
  594    HD1  PHE  81           HD1      PHE  81  -5.925  -1.977   7.129
  595    HD2  PHE  81           HD2      PHE  81  -5.123  -1.789   2.952
  596    HE1  PHE  81           HE1      PHE  81  -8.114  -0.915   6.764
  597    HE2  PHE  81           HE2      PHE  81  -7.310  -0.726   2.577
  598    HZ   PHE  81           HZ       PHE  81  -8.808  -0.286   4.485
  599    H    MET  82           HN       MET  82  -3.076  -4.856   3.538
  600    HA   MET  82           HA       MET  82  -5.456  -5.317   2.061
  601    HB2  MET  82           HB2      MET  82  -2.552  -5.933   1.498
  602    HB3  MET  82           HB1      MET  82  -3.829  -6.225   0.306
  603    HG2  MET  82           HG2      MET  82  -4.297  -3.604   1.137
  604    HG3  MET  82           HG1      MET  82  -2.532  -3.717   1.126
  605    HE1  MET  82           HE1      MET  82  -1.722  -4.642  -2.537
  606    HE2  MET  82           HE2      MET  82  -1.830  -5.684  -1.119
  607    HE3  MET  82           HE3      MET  82  -1.078  -4.096  -0.990
  608    H    LEU  83           HN       LEU  83  -3.282  -7.505   3.821
  609    HA   LEU  83           HA       LEU  83  -4.796  -9.801   3.020
  610    HB2  LEU  83           HB2      LEU  83  -2.704  -9.364   5.151
  611    HB3  LEU  83           HB1      LEU  83  -3.513 -10.905   4.951
  612    HG   LEU  83           HG       LEU  83  -2.633 -10.912   2.567
  613   HD11  LEU  83          HD11      LEU  83  -0.940  -8.666   3.619
  614   HD12  LEU  83          HD12      LEU  83  -2.135  -8.570   2.327
  615   HD13  LEU  83          HD13      LEU  83  -0.673  -9.529   2.103
  616   HD21  LEU  83          HD21      LEU  83  -0.616 -10.935   4.816
  617   HD22  LEU  83          HD22      LEU  83  -0.385 -11.665   3.226
  618   HD23  LEU  83          HD23      LEU  83  -1.621 -12.297   4.316
  619    H    GLY  84           HN       GLY  84  -4.657  -7.741   5.899
  620    HA2  GLY  84           HA2      GLY  84  -7.005  -9.186   6.961
  621    HA3  GLY  84           HA1      GLY  84  -5.852  -8.297   7.943
  622    H    SER  85           HN       SER  85  -8.299  -7.875   5.417
  623    HA   SER  85           HA       SER  85  -8.476  -5.039   5.994
  624    HB2  SER  85           HB2      SER  85 -10.121  -6.693   4.066
  625    HB3  SER  85           HB1      SER  85  -9.962  -4.938   4.095
  626    HG   SER  85           HG       SER  85  -7.527  -5.727   3.924
  627    H    GLY  86           HN       GLY  86  -9.207  -6.781   8.125
  628    HA2  GLY  86           HA2      GLY  86 -12.133  -6.616   8.219
  629    HA3  GLY  86           HA1      GLY  86 -11.115  -7.505   9.342
  630    H    ASP  87           HN       ASP  87  -9.273  -5.257   9.676
  631    HA   ASP  87           HA       ASP  87 -10.958  -3.621  11.450
  632    HB2  ASP  87           HB2      ASP  87  -8.950  -5.060  12.317
  633    HB3  ASP  87           HB1      ASP  87  -7.958  -3.772  11.645
  634    H    ALA  88           HN       ALA  88  -9.121  -1.511  11.832
  635    HA   ALA  88           HA       ALA  88  -8.845  -0.375   9.141
  636    HB1  ALA  88           HB1      ALA  88 -10.347   0.982  11.375
  637    HB2  ALA  88           HB2      ALA  88 -11.061   0.270   9.927
  638    HB3  ALA  88           HB3      ALA  88  -9.995   1.669   9.790
  639    H    GLY  89           HN       GLY  89  -8.060  -0.238  12.579
  640    HA2  GLY  89           HA2      GLY  89  -5.446   0.401  12.425
  641    HA3  GLY  89           HA1      GLY  89  -6.220   1.963  12.196
  642   H282  PNS  90          H28A      PNS  44  -1.506  15.084  -3.888
  643   H281  PNS  90          H28B      PNS  44  -1.937  13.471  -3.317
  644   H303  PNS  90          H30A      PNS  44  -3.108  16.424  -5.151
  645   H302  PNS  90          H30B      PNS  44  -4.245  16.272  -3.810
  646   H301  PNS  90          H30C      PNS  44  -4.744  15.838  -5.446
  647   H313  PNS  90          H31A      PNS  44  -2.590  12.807  -5.640
  648   H312  PNS  90          H31B      PNS  44  -2.116  14.413  -6.192
  649   H311  PNS  90          H31C      PNS  44  -3.730  13.800  -6.547
  650    H32  PNS  90          H32A      PNS  44  -4.285  12.512  -3.914
  651    H33  PNS  90          H33A      PNS  44  -4.247  14.477  -2.263
  652    H36  PNS  90          H36A      PNS  44  -6.997  13.827  -3.232
  653   H372  PNS  90          H37A      PNS  44  -8.416  14.864  -5.300
  654   H371  PNS  90          H37B      PNS  44  -8.350  13.145  -5.677
  655   H382  PNS  90          H38A      PNS  44  -9.363  12.641  -3.500
  656   H381  PNS  90          H38B      PNS  44  -9.448  14.367  -3.149
  657    H41  PNS  90          H41A      PNS  44 -11.725  13.221  -2.910
  658   H422  PNS  90          H42A      PNS  44 -13.577  14.500  -4.414
  659   H421  PNS  90          H42B      PNS  44 -13.292  13.016  -5.324
  660   H431  PNS  90          H43A      PNS  44 -14.180  13.210  -2.452
  661   H432  PNS  90          H43B      PNS  44 -13.835  11.710  -3.309
  662    H44  PNS  90           H1       PNS  44 -16.600  11.962  -3.065
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1 -18.435  -9.901  11.277
    2    H2   ALA   1           HT2      ALA   1 -19.997 -10.486  10.975
    3    H3   ALA   1           HT3      ALA   1 -19.787  -8.967  11.701
    4    HA   ALA   1           HA       ALA   1 -19.004  -9.717   8.944
    5    HB1  ALA   1           HB1      ALA   1 -20.778  -8.246   8.225
    6    HB2  ALA   1           HB2      ALA   1 -21.166  -7.846   9.897
    7    HB3  ALA   1           HB3      ALA   1 -21.434  -9.484   9.298
    8    H    MET   2           HN       MET   2 -18.075  -8.060   7.713
    9    HA   MET   2           HA       MET   2 -17.186  -5.689   9.211
   10    HB2  MET   2           HB2      MET   2 -15.331  -7.337   9.068
   11    HB3  MET   2           HB1      MET   2 -15.471  -7.320   7.315
   12    HG2  MET   2           HG2      MET   2 -13.613  -5.956   8.072
   13    HG3  MET   2           HG1      MET   2 -14.839  -4.975   7.269
   14    HE1  MET   2           HE1      MET   2 -13.603  -2.848   8.301
   15    HE2  MET   2           HE2      MET   2 -12.461  -3.857   9.189
   16    HE3  MET   2           HE3      MET   2 -13.361  -2.593  10.029
   17    H    ALA   3           HN       ALA   3 -17.593  -3.782   8.092
   18    HA   ALA   3           HA       ALA   3 -19.025  -4.063   5.621
   19    HB1  ALA   3           HB1      ALA   3 -19.783  -2.504   7.351
   20    HB2  ALA   3           HB2      ALA   3 -19.473  -1.684   5.820
   21    HB3  ALA   3           HB3      ALA   3 -18.302  -1.571   7.135
   22    H    LYS   4           HN       LYS   4 -15.840  -3.406   6.485
   23    HA   LYS   4           HA       LYS   4 -15.216  -2.819   3.684
   24    HB2  LYS   4           HB2      LYS   4 -15.227  -0.660   4.982
   25    HB3  LYS   4           HB1      LYS   4 -13.907  -1.303   5.948
   26    HG2  LYS   4           HG2      LYS   4 -12.557  -1.519   3.882
   27    HG3  LYS   4           HG1      LYS   4 -13.872  -0.753   2.988
   28    HD2  LYS   4           HD2      LYS   4 -13.666   1.210   4.514
   29    HD3  LYS   4           HD1      LYS   4 -12.240   0.449   5.217
   30    HE2  LYS   4           HE2      LYS   4 -11.534   2.050   3.572
   31    HE3  LYS   4           HE1      LYS   4 -11.200   0.429   2.964
   32    HZ1  LYS   4           HZ1      LYS   4 -13.615   1.999   2.241
   33    HZ2  LYS   4           HZ2      LYS   4 -13.090   0.546   1.537
   34    HZ3  LYS   4           HZ3      LYS   4 -12.199   1.967   1.311
   35    H    GLY   5           HN       GLY   5 -14.206  -4.639   3.162
   36    HA2  GLY   5           HA2      GLY   5 -11.637  -5.148   4.396
   37    HA3  GLY   5           HA1      GLY   5 -12.815  -6.439   4.595
   38    H    VAL   6           HN       VAL   6 -10.260  -5.639   2.831
   39    HA   VAL   6           HA       VAL   6 -11.284  -6.325   0.214
   40    HB   VAL   6           HB       VAL   6  -8.426  -5.926   1.065
   41   HG11  VAL   6          HG11      VAL   6  -9.697  -5.983  -1.666
   42   HG12  VAL   6          HG12      VAL   6  -8.597  -7.187  -0.998
   43   HG13  VAL   6          HG13      VAL   6  -8.020  -5.557  -1.339
   44   HG21  VAL   6          HG21      VAL   6  -8.633  -3.679   0.120
   45   HG22  VAL   6          HG22      VAL   6  -9.750  -3.915   1.464
   46   HG23  VAL   6          HG23      VAL   6 -10.342  -3.972  -0.197
   47    H    GLY   7           HN       GLY   7  -8.308  -7.617   1.620
   48    HA2  GLY   7           HA2      GLY   7  -7.874  -9.872   2.208
   49    HA3  GLY   7           HA1      GLY   7  -9.407 -10.331   1.474
   50    H    VAL   8           HN       VAL   8  -6.042  -9.755   0.951
   51    HA   VAL   8           HA       VAL   8  -6.384 -10.459  -1.882
   52    HB   VAL   8           HB       VAL   8  -4.465  -9.229  -2.491
   53   HG11  VAL   8          HG11      VAL   8  -4.861  -6.963  -1.649
   54   HG12  VAL   8          HG12      VAL   8  -5.905  -7.625  -0.395
   55   HG13  VAL   8          HG13      VAL   8  -6.354  -7.791  -2.092
   56   HG21  VAL   8          HG21      VAL   8  -2.860  -8.270  -0.983
   57   HG22  VAL   8          HG22      VAL   8  -3.019  -9.994  -0.646
   58   HG23  VAL   8          HG23      VAL   8  -3.790  -8.812   0.414
   59    H    SER   9           HN       SER   9  -4.800 -11.870  -2.813
   60    HA   SER   9           HA       SER   9  -3.958 -13.929  -0.982
   61    HB2  SER   9           HB2      SER   9  -4.975 -14.339  -3.287
   62    HB3  SER   9           HB1      SER   9  -3.439 -13.797  -3.963
   63    HG   SER   9           HG       SER   9  -4.084 -16.211  -3.095
   64    H    ASN  10           HN       ASN  10  -1.667 -14.882  -1.547
   65    HA   ASN  10           HA       ASN  10   0.199 -12.959  -0.617
   66    HB2  ASN  10           HB2      ASN  10   0.606 -15.192   0.063
   67    HB3  ASN  10           HB1      ASN  10   0.454 -15.806  -1.579
   68   HD21  ASN  10          HD21      ASN  10   2.540 -14.122   0.667
   69   HD22  ASN  10          HD22      ASN  10   3.996 -14.306  -0.252
   70    H    GLU  11           HN       GLU  11  -0.772 -14.068  -3.708
   71    HA   GLU  11           HA       GLU  11   1.473 -13.231  -5.206
   72    HB2  GLU  11           HB2      GLU  11  -0.103 -14.809  -6.125
   73    HB3  GLU  11           HB1      GLU  11  -1.416 -13.649  -5.983
   74    HG2  GLU  11           HG2      GLU  11  -0.193 -12.208  -7.625
   75    HG3  GLU  11           HG1      GLU  11   0.959 -13.532  -7.814
   76    H    LYS  12           HN       LYS  12  -1.636 -11.662  -4.461
   77    HA   LYS  12           HA       LYS  12  -0.854  -9.233  -5.740
   78    HB2  LYS  12           HB2      LYS  12  -3.160  -9.898  -3.930
   79    HB3  LYS  12           HB1      LYS  12  -2.869  -8.279  -4.564
   80    HG2  LYS  12           HG2      LYS  12  -2.822  -9.335  -6.875
   81    HG3  LYS  12           HG1      LYS  12  -3.506 -10.773  -6.127
   82    HD2  LYS  12           HD2      LYS  12  -5.472  -9.577  -5.471
   83    HD3  LYS  12           HD1      LYS  12  -4.756  -8.032  -5.958
   84    HE2  LYS  12           HE2      LYS  12  -4.611  -8.934  -8.285
   85    HE3  LYS  12           HE1      LYS  12  -5.523 -10.338  -7.743
   86    HZ1  LYS  12           HZ1      LYS  12  -7.357  -8.881  -7.159
   87    HZ2  LYS  12           HZ2      LYS  12  -6.950  -8.715  -8.797
   88    HZ3  LYS  12           HZ3      LYS  12  -6.477  -7.528  -7.686
   89    H    LEU  13           HN       LEU  13  -0.362 -10.616  -2.640
   90    HA   LEU  13           HA       LEU  13   0.450  -8.199  -1.331
   91    HB2  LEU  13           HB2      LEU  13  -0.185 -10.355  -0.193
   92    HB3  LEU  13           HB1      LEU  13   1.346 -11.026  -0.719
   93    HG   LEU  13           HG       LEU  13   2.122  -8.712   0.532
   94   HD11  LEU  13          HD11      LEU  13  -0.117  -8.286   1.354
   95   HD12  LEU  13          HD12      LEU  13   0.960  -8.697   2.690
   96   HD13  LEU  13          HD13      LEU  13  -0.178  -9.895   2.072
   97   HD21  LEU  13          HD21      LEU  13   1.845 -11.478   1.688
   98   HD22  LEU  13          HD22      LEU  13   2.874 -10.197   2.332
   99   HD23  LEU  13          HD23      LEU  13   3.196 -10.869   0.730
  100    H    ASP  14           HN       ASP  14   1.952 -10.443  -3.532
  101    HA   ASP  14           HA       ASP  14   4.625  -9.507  -2.983
  102    HB2  ASP  14           HB2      ASP  14   3.637 -11.805  -4.074
  103    HB3  ASP  14           HB1      ASP  14   4.140 -10.950  -5.513
  104    H    ALA  15           HN       ALA  15   2.023  -8.785  -5.088
  105    HA   ALA  15           HA       ALA  15   3.582  -7.440  -7.101
  106    HB1  ALA  15           HB1      ALA  15   0.596  -7.328  -6.700
  107    HB2  ALA  15           HB2      ALA  15   1.418  -8.631  -7.556
  108    HB3  ALA  15           HB3      ALA  15   1.491  -6.977  -8.179
  109    H    VAL  16           HN       VAL  16   1.811  -6.559  -4.227
  110    HA   VAL  16           HA       VAL  16   1.652  -3.798  -4.774
  111    HB   VAL  16           HB       VAL  16   0.159  -4.597  -3.142
  112   HG11  VAL  16          HG11      VAL  16   1.349  -6.600  -2.463
  113   HG12  VAL  16          HG12      VAL  16   0.878  -5.664  -1.041
  114   HG13  VAL  16          HG13      VAL  16   2.551  -5.626  -1.611
  115   HG21  VAL  16          HG21      VAL  16   2.333  -3.059  -1.718
  116   HG22  VAL  16          HG22      VAL  16   0.659  -3.212  -1.178
  117   HG23  VAL  16          HG23      VAL  16   1.027  -2.368  -2.681
  118    H    MET  17           HN       MET  17   4.030  -5.761  -3.043
  119    HA   MET  17           HA       MET  17   5.463  -3.707  -1.819
  120    HB2  MET  17           HB2      MET  17   6.732  -6.233  -2.893
  121    HB3  MET  17           HB1      MET  17   7.244  -5.261  -1.530
  122    HG2  MET  17           HG2      MET  17   5.092  -5.891  -0.407
  123    HG3  MET  17           HG1      MET  17   4.869  -7.055  -1.710
  124    HE1  MET  17           HE1      MET  17   4.742  -8.284   1.052
  125    HE2  MET  17           HE2      MET  17   5.920  -9.598   0.975
  126    HE3  MET  17           HE3      MET  17   4.868  -9.269  -0.404
  127    H    ARG  18           HN       ARG  18   5.616  -4.928  -5.104
  128    HA   ARG  18           HA       ARG  18   8.071  -3.550  -5.655
  129    HB2  ARG  18           HB2      ARG  18   7.808  -4.406  -7.932
  130    HB3  ARG  18           HB1      ARG  18   7.725  -5.670  -6.714
  131    HG2  ARG  18           HG2      ARG  18   5.201  -5.439  -6.883
  132    HG3  ARG  18           HG1      ARG  18   5.514  -4.493  -8.338
  133    HD2  ARG  18           HD2      ARG  18   5.112  -6.776  -8.975
  134    HD3  ARG  18           HD1      ARG  18   6.821  -6.413  -9.218
  135    HE   ARG  18           HE       ARG  18   5.910  -7.781  -6.771
  136   HH11  ARG  18          HH11      ARG  18   7.851  -7.731  -9.685
  137   HH12  ARG  18          HH12      ARG  18   8.781  -9.125  -9.241
  138   HH21  ARG  18          HH21      ARG  18   7.116  -9.634  -6.187
  139   HH22  ARG  18          HH22      ARG  18   8.378 -10.200  -7.247
  140    H    VAL  19           HN       VAL  19   4.644  -2.902  -6.083
  141    HA   VAL  19           HA       VAL  19   5.042  -0.675  -7.842
  142    HB   VAL  19           HB       VAL  19   2.736  -1.428  -6.022
  143   HG11  VAL  19          HG11      VAL  19   2.942   0.879  -7.944
  144   HG12  VAL  19          HG12      VAL  19   2.736   0.977  -6.199
  145   HG13  VAL  19          HG13      VAL  19   1.445   0.322  -7.208
  146   HG21  VAL  19          HG21      VAL  19   2.999  -1.457  -9.030
  147   HG22  VAL  19          HG22      VAL  19   1.601  -1.988  -8.095
  148   HG23  VAL  19          HG23      VAL  19   3.127  -2.870  -7.982
  149    H    VAL  20           HN       VAL  20   4.927  -1.263  -4.442
  150    HA   VAL  20           HA       VAL  20   5.193   1.411  -3.539
  151    HB   VAL  20           HB       VAL  20   5.729  -1.308  -2.323
  152   HG11  VAL  20          HG11      VAL  20   6.147   1.318  -0.897
  153   HG12  VAL  20          HG12      VAL  20   7.445   0.265  -1.458
  154   HG13  VAL  20          HG13      VAL  20   6.325  -0.300  -0.216
  155   HG21  VAL  20          HG21      VAL  20   3.934  -0.583  -0.769
  156   HG22  VAL  20          HG22      VAL  20   3.406  -0.628  -2.450
  157   HG23  VAL  20          HG23      VAL  20   3.784   0.916  -1.685
  158    H    SER  21           HN       SER  21   7.481  -1.074  -4.569
  159    HA   SER  21           HA       SER  21   9.802   0.220  -3.662
  160    HB2  SER  21           HB2      SER  21   9.170  -2.046  -5.534
  161    HB3  SER  21           HB1      SER  21  10.804  -1.481  -5.319
  162    HG   SER  21           HG       SER  21   9.066  -2.431  -3.301
  163    H    GLU  22           HN       GLU  22   7.840   0.613  -6.520
  164    HA   GLU  22           HA       GLU  22  10.024   1.722  -8.047
  165    HB2  GLU  22           HB2      GLU  22   7.098   1.357  -8.705
  166    HB3  GLU  22           HB1      GLU  22   8.300   1.991  -9.830
  167    HG2  GLU  22           HG2      GLU  22   9.560  -0.146  -9.575
  168    HG3  GLU  22           HG1      GLU  22   8.220  -0.759  -8.610
  169    H    GLU  23           HN       GLU  23   7.141   2.809  -6.384
  170    HA   GLU  23           HA       GLU  23   7.259   5.475  -7.373
  171    HB2  GLU  23           HB2      GLU  23   5.690   4.092  -5.215
  172    HB3  GLU  23           HB1      GLU  23   5.494   5.805  -5.556
  173    HG2  GLU  23           HG2      GLU  23   5.166   3.613  -7.572
  174    HG3  GLU  23           HG1      GLU  23   3.839   4.344  -6.670
  175    H    SER  24           HN       SER  24   8.306   3.870  -4.411
  176    HA   SER  24           HA       SER  24   8.989   6.354  -3.125
  177    HB2  SER  24           HB2      SER  24   9.942   4.885  -1.384
  178    HB3  SER  24           HB1      SER  24   8.276   4.487  -1.766
  179    HG   SER  24           HG       SER  24   8.888   2.623  -2.619
  180    H    GLY  25           HN       GLY  25  10.738   3.664  -4.616
  181    HA2  GLY  25           HA2      GLY  25  12.712   4.188  -5.970
  182    HA3  GLY  25           HA1      GLY  25  13.118   5.415  -4.776
  183    H    ILE  26           HN       ILE  26  12.019   2.967  -2.943
  184    HA   ILE  26           HA       ILE  26  14.673   2.146  -2.214
  185    HB   ILE  26           HB       ILE  26  12.204   0.705  -1.281
  186   HG12  ILE  26          HG12      ILE  26  13.257   3.245   0.003
  187   HG13  ILE  26          HG11      ILE  26  11.849   3.200  -1.055
  188   HG21  ILE  26          HG21      ILE  26  13.525   0.446   0.768
  189   HG22  ILE  26          HG22      ILE  26  14.838   1.363   0.023
  190   HG23  ILE  26          HG23      ILE  26  14.358  -0.197  -0.651
  191   HD11  ILE  26          HD11      ILE  26  10.700   1.744   0.507
  192   HD12  ILE  26          HD12      ILE  26  11.285   3.179   1.356
  193   HD13  ILE  26          HD13      ILE  26  12.141   1.649   1.514
  194    H    ALA  27           HN       ALA  27  15.698   0.260  -2.650
  195    HA   ALA  27           HA       ALA  27  14.834  -1.390  -4.786
  196    HB1  ALA  27           HB1      ALA  27  16.961  -1.850  -2.692
  197    HB2  ALA  27           HB2      ALA  27  17.198  -1.122  -4.282
  198    HB3  ALA  27           HB3      ALA  27  16.739  -2.821  -4.148
  199    H    LEU  28           HN       LEU  28  13.855  -3.365  -4.771
  200    HA   LEU  28           HA       LEU  28  11.937  -3.897  -2.841
  201    HB2  LEU  28           HB2      LEU  28  11.748  -4.735  -5.077
  202    HB3  LEU  28           HB1      LEU  28  13.207  -5.684  -4.907
  203    HG   LEU  28           HG       LEU  28  12.026  -7.090  -3.214
  204   HD11  LEU  28          HD11      LEU  28  10.298  -5.636  -2.451
  205   HD12  LEU  28          HD12      LEU  28   9.527  -6.993  -3.271
  206   HD13  LEU  28          HD13      LEU  28   9.669  -5.437  -4.085
  207   HD21  LEU  28          HD21      LEU  28  10.722  -8.320  -4.877
  208   HD22  LEU  28          HD22      LEU  28  12.277  -7.790  -5.524
  209   HD23  LEU  28          HD23      LEU  28  10.801  -6.928  -5.959
  210    H    GLU  29           HN       GLU  29  15.260  -4.987  -2.998
  211    HA   GLU  29           HA       GLU  29  14.912  -7.089  -1.060
  212    HB2  GLU  29           HB2      GLU  29  17.533  -5.860  -1.897
  213    HB3  GLU  29           HB1      GLU  29  17.239  -7.481  -1.293
  214    HG2  GLU  29           HG2      GLU  29  16.111  -8.085  -3.360
  215    HG3  GLU  29           HG1      GLU  29  16.287  -6.434  -3.954
  216    H    GLU  30           HN       GLU  30  15.069  -3.764  -0.827
  217    HA   GLU  30           HA       GLU  30  16.207  -3.906   1.890
  218    HB2  GLU  30           HB2      GLU  30  15.700  -1.445   0.209
  219    HB3  GLU  30           HB1      GLU  30  16.509  -1.492   1.771
  220    HG2  GLU  30           HG2      GLU  30  18.315  -2.838   0.728
  221    HG3  GLU  30           HG1      GLU  30  17.514  -2.607  -0.825
  222    H    LEU  31           HN       LEU  31  13.345  -3.918   0.279
  223    HA   LEU  31           HA       LEU  31  11.841  -2.144   1.946
  224    HB2  LEU  31           HB2      LEU  31  11.208  -2.755  -0.402
  225    HB3  LEU  31           HB1      LEU  31  10.822  -4.369   0.168
  226    HG   LEU  31           HG       LEU  31   9.092  -3.378   1.665
  227   HD11  LEU  31          HD11      LEU  31   8.401  -1.062   1.277
  228   HD12  LEU  31          HD12      LEU  31   9.762  -0.844   0.172
  229   HD13  LEU  31          HD13      LEU  31  10.058  -1.150   1.882
  230   HD21  LEU  31          HD21      LEU  31   7.490  -2.930  -0.104
  231   HD22  LEU  31          HD22      LEU  31   8.529  -4.289  -0.542
  232   HD23  LEU  31          HD23      LEU  31   8.804  -2.701  -1.258
  233    H    THR  32           HN       THR  32  12.053  -2.697   4.044
  234    HA   THR  32           HA       THR  32  11.004  -5.339   4.811
  235    HB   THR  32           HB       THR  32  12.362  -5.326   6.771
  236    HG1  THR  32           HG1      THR  32  13.066  -3.542   7.687
  237   HG21  THR  32          HG21      THR  32  13.641  -5.912   4.790
  238   HG22  THR  32          HG22      THR  32  14.662  -5.034   5.928
  239   HG23  THR  32          HG23      THR  32  14.023  -4.214   4.500
  240    H    ASP  33           HN       ASP  33   9.857  -5.268   6.969
  241    HA   ASP  33           HA       ASP  33   7.858  -3.226   6.851
  242    HB2  ASP  33           HB2      ASP  33   6.999  -4.361   8.943
  243    HB3  ASP  33           HB1      ASP  33   7.117  -5.378   7.513
  244    H    ASP  34           HN       ASP  34  10.915  -3.168   8.109
  245    HA   ASP  34           HA       ASP  34  10.466  -1.583  10.452
  246    HB2  ASP  34           HB2      ASP  34  12.955  -1.724   8.730
  247    HB3  ASP  34           HB1      ASP  34  12.861  -1.128  10.383
  248    H    SER  35           HN       SER  35  10.485  -0.996   7.077
  249    HA   SER  35           HA       SER  35  11.401   1.729   7.181
  250    HB2  SER  35           HB2      SER  35   9.925   0.303   4.955
  251    HB3  SER  35           HB1      SER  35  10.868   1.784   4.811
  252    HG   SER  35           HG       SER  35  12.388  -0.114   5.936
  253    H    ASN  36           HN       ASN  36  10.222   3.570   6.645
  254    HA   ASN  36           HA       ASN  36   7.346   3.416   7.300
  255    HB2  ASN  36           HB2      ASN  36   8.810   4.224   9.207
  256    HB3  ASN  36           HB1      ASN  36   9.272   5.574   8.192
  257   HD21  ASN  36          HD21      ASN  36   6.774   4.314  10.265
  258   HD22  ASN  36          HD22      ASN  36   5.742   5.683  10.144
  259    H    PHE  37           HN       PHE  37   6.110   4.428   5.811
  260    HA   PHE  37           HA       PHE  37   7.166   5.328   3.394
  261    HB2  PHE  37           HB2      PHE  37   4.486   5.463   4.681
  262    HB3  PHE  37           HB1      PHE  37   4.776   6.492   3.280
  263    HD1  PHE  37           HD1      PHE  37   6.009   5.252   1.307
  264    HD2  PHE  37           HD2      PHE  37   3.613   3.354   4.260
  265    HE1  PHE  37           HE1      PHE  37   5.635   3.380  -0.218
  266    HE2  PHE  37           HE2      PHE  37   3.228   1.460   2.734
  267    HZ   PHE  37           HZ       PHE  37   4.239   1.473   0.488
  268    H    ALA  38           HN       ALA  38   5.822   7.266   6.063
  269    HA   ALA  38           HA       ALA  38   6.357   9.741   4.764
  270    HB1  ALA  38           HB1      ALA  38   5.791  10.720   6.976
  271    HB2  ALA  38           HB2      ALA  38   5.676   9.080   7.623
  272    HB3  ALA  38           HB3      ALA  38   4.577   9.606   6.345
  273    H    ASP  39           HN       ASP  39   8.121   7.707   6.980
  274    HA   ASP  39           HA       ASP  39  10.169   9.567   7.671
  275    HB2  ASP  39           HB2      ASP  39   9.752   7.572   9.027
  276    HB3  ASP  39           HB1      ASP  39  10.156   6.536   7.663
  277    H    MET  40           HN       MET  40   9.609   7.437   5.007
  278    HA   MET  40           HA       MET  40  12.290   7.463   3.995
  279    HB2  MET  40           HB2      MET  40   9.992   5.988   3.503
  280    HB3  MET  40           HB1      MET  40  10.171   6.940   2.042
  281    HG2  MET  40           HG2      MET  40  12.300   5.165   3.216
  282    HG3  MET  40           HG1      MET  40  11.224   4.729   1.895
  283    HE1  MET  40           HE1      MET  40  12.335   7.215  -0.923
  284    HE2  MET  40           HE2      MET  40  11.071   7.502   0.273
  285    HE3  MET  40           HE3      MET  40  11.233   5.913  -0.475
  286    H    GLY  41           HN       GLY  41   9.597   9.588   3.818
  287    HA2  GLY  41           HA2      GLY  41   9.934  11.852   2.964
  288    HA3  GLY  41           HA1      GLY  41  11.005  11.171   1.742
  289    H    ILE  42           HN       ILE  42   8.284   9.284   2.326
  290    HA   ILE  42           HA       ILE  42   7.174   9.819  -0.264
  291    HB   ILE  42           HB       ILE  42   6.193   8.097   2.021
  292   HG12  ILE  42          HG12      ILE  42   8.343   7.507   0.894
  293   HG13  ILE  42          HG11      ILE  42   7.104   6.258   0.801
  294   HG21  ILE  42          HG21      ILE  42   4.287   8.746   0.719
  295   HG22  ILE  42          HG22      ILE  42   4.686   7.066   0.355
  296   HG23  ILE  42          HG23      ILE  42   5.124   8.344  -0.783
  297   HD11  ILE  42          HD11      ILE  42   7.822   8.202  -1.387
  298   HD12  ILE  42          HD12      ILE  42   6.593   6.941  -1.485
  299   HD13  ILE  42          HD13      ILE  42   8.291   6.504  -1.305
  300    H    ASP  43           HN       ASP  43   5.983  11.567  -0.652
  301    HA   ASP  43           HA       ASP  43   4.361  12.700   1.518
  302    HB2  ASP  43           HB2      ASP  43   5.950  14.089   0.026
  303    HB3  ASP  43           HB1      ASP  43   4.733  13.884  -1.226
  304    H    SER  44           HN       SER  44   2.321  13.872   0.119
  305    HA   SER  44           HA       SER  44   0.572  11.652  -0.045
  306    HB2  SER  44           HB2      SER  44  -0.229  13.715   0.855
  307    HB3  SER  44           HB1      SER  44   0.149  14.581  -0.636
  308    H    LEU  45           HN       LEU  45   2.238  13.582  -2.430
  309    HA   LEU  45           HA       LEU  45   0.703  13.054  -4.691
  310    HB2  LEU  45           HB2      LEU  45   2.661  14.657  -4.481
  311    HB3  LEU  45           HB1      LEU  45   3.725  13.272  -4.629
  312    HG   LEU  45           HG       LEU  45   3.398  14.642  -6.710
  313   HD11  LEU  45          HD11      LEU  45   4.281  12.390  -6.842
  314   HD12  LEU  45          HD12      LEU  45   3.214  12.710  -8.208
  315   HD13  LEU  45          HD13      LEU  45   2.648  11.728  -6.858
  316   HD21  LEU  45          HD21      LEU  45   1.360  14.264  -8.014
  317   HD22  LEU  45          HD22      LEU  45   1.022  15.095  -6.498
  318   HD23  LEU  45          HD23      LEU  45   0.662  13.376  -6.660
  319    H    SER  46           HN       SER  46   3.647  11.274  -3.653
  320    HA   SER  46           HA       SER  46   3.280   9.231  -5.571
  321    HB2  SER  46           HB2      SER  46   5.459   9.777  -4.464
  322    HB3  SER  46           HB1      SER  46   4.841   9.046  -2.986
  323    HG   SER  46           HG       SER  46   4.838   7.600  -5.408
  324    H    SER  47           HN       SER  47   2.348   9.530  -2.187
  325    HA   SER  47           HA       SER  47   1.533   6.915  -1.705
  326    HB2  SER  47           HB2      SER  47   0.371   9.481  -0.602
  327    HB3  SER  47           HB1      SER  47   0.140   7.873   0.089
  328    HG   SER  47           HG       SER  47   2.443   9.480   0.017
  329    H    MET  48           HN       MET  48  -0.177   9.559  -3.267
  330    HA   MET  48           HA       MET  48  -2.699   8.211  -3.342
  331    HB2  MET  48           HB2      MET  48  -2.357  10.733  -3.464
  332    HB3  MET  48           HB1      MET  48  -1.716  10.512  -5.072
  333    HG2  MET  48           HG2      MET  48  -4.572   9.898  -4.254
  334    HG3  MET  48           HG1      MET  48  -4.026  11.352  -5.065
  335    HE1  MET  48           HE1      MET  48  -1.893  10.281  -7.156
  336    HE2  MET  48           HE2      MET  48  -3.148  11.460  -7.541
  337    HE3  MET  48           HE3      MET  48  -2.927  10.048  -8.568
  338    H    VAL  49           HN       VAL  49  -0.015   8.728  -5.518
  339    HA   VAL  49           HA       VAL  49  -1.158   7.611  -7.828
  340    HB   VAL  49           HB       VAL  49   1.745   7.945  -7.017
  341   HG11  VAL  49          HG11      VAL  49   1.375   6.098  -8.679
  342   HG12  VAL  49          HG12      VAL  49   2.396   7.415  -9.250
  343   HG13  VAL  49          HG13      VAL  49   0.715   7.305  -9.779
  344   HG21  VAL  49          HG21      VAL  49   0.578  10.063  -7.357
  345   HG22  VAL  49          HG22      VAL  49  -0.019   9.511  -8.920
  346   HG23  VAL  49          HG23      VAL  49   1.705   9.782  -8.681
  347    H    ILE  50           HN       ILE  50   0.901   6.158  -5.298
  348    HA   ILE  50           HA       ILE  50   1.119   3.589  -6.276
  349    HB   ILE  50           HB       ILE  50   0.698   4.378  -3.388
  350   HG12  ILE  50          HG12      ILE  50   3.284   4.000  -4.922
  351   HG13  ILE  50          HG11      ILE  50   2.580   5.566  -4.523
  352   HG21  ILE  50          HG21      ILE  50   1.943   1.916  -4.605
  353   HG22  ILE  50          HG22      ILE  50   0.393   1.999  -3.769
  354   HG23  ILE  50          HG23      ILE  50   1.890   2.298  -2.881
  355   HD11  ILE  50          HD11      ILE  50   3.477   3.499  -2.529
  356   HD12  ILE  50          HD12      ILE  50   2.835   5.098  -2.160
  357   HD13  ILE  50          HD13      ILE  50   4.380   4.941  -2.995
  358    H    GLY  51           HN       GLY  51  -1.449   4.881  -4.155
  359    HA2  GLY  51           HA2      GLY  51  -3.043   2.563  -4.102
  360    HA3  GLY  51           HA1      GLY  51  -3.610   4.195  -3.792
  361    H    SER  52           HN       SER  52  -2.861   5.200  -6.402
  362    HA   SER  52           HA       SER  52  -5.136   4.575  -7.907
  363    HB2  SER  52           HB2      SER  52  -2.780   6.259  -8.117
  364    HB3  SER  52           HB1      SER  52  -3.339   5.704  -9.686
  365    HG   SER  52           HG       SER  52  -4.567   7.372  -7.805
  366    H    ARG  53           HN       ARG  53  -1.733   3.584  -8.260
  367    HA   ARG  53           HA       ARG  53  -2.124   2.001 -10.569
  368    HB2  ARG  53           HB2      ARG  53   0.001   1.672  -8.453
  369    HB3  ARG  53           HB1      ARG  53   0.046   1.032 -10.092
  370    HG2  ARG  53           HG2      ARG  53  -0.113   3.403 -10.898
  371    HG3  ARG  53           HG1      ARG  53   0.167   3.897  -9.230
  372    HD2  ARG  53           HD2      ARG  53   2.348   3.810  -9.794
  373    HD3  ARG  53           HD1      ARG  53   2.133   2.065  -9.606
  374    HE   ARG  53           HE       ARG  53   1.432   2.385 -12.158
  375   HH11  ARG  53          HH11      ARG  53   4.134   3.788 -10.433
  376   HH12  ARG  53          HH12      ARG  53   5.242   3.571 -11.752
  377   HH21  ARG  53          HH21      ARG  53   2.864   2.127 -13.889
  378   HH22  ARG  53          HH22      ARG  53   4.509   2.671 -13.742
  379    H    PHE  54           HN       PHE  54  -2.548   1.378  -7.152
  380    HA   PHE  54           HA       PHE  54  -2.811  -1.415  -7.187
  381    HB2  PHE  54           HB2      PHE  54  -4.226   0.710  -5.572
  382    HB3  PHE  54           HB1      PHE  54  -4.545  -0.996  -5.351
  383    HD1  PHE  54           HD1      PHE  54  -1.140  -0.887  -6.078
  384    HD2  PHE  54           HD2      PHE  54  -3.935   0.149  -3.035
  385    HE1  PHE  54           HE1      PHE  54   0.647  -0.977  -4.393
  386    HE2  PHE  54           HE2      PHE  54  -2.146   0.044  -1.356
  387    HZ   PHE  54           HZ       PHE  54   0.149  -0.523  -2.036
  388    H    ARG  55           HN       ARG  55  -5.055   1.158  -8.082
  389    HA   ARG  55           HA       ARG  55  -7.244  -0.666  -8.478
  390    HB2  ARG  55           HB2      ARG  55  -7.161   2.154  -9.529
  391    HB3  ARG  55           HB1      ARG  55  -8.554   1.210  -9.021
  392    HG2  ARG  55           HG2      ARG  55  -7.183   1.337  -6.705
  393    HG3  ARG  55           HG1      ARG  55  -6.692   2.855  -7.461
  394    HD2  ARG  55           HD2      ARG  55  -9.425   1.952  -6.646
  395    HD3  ARG  55           HD1      ARG  55  -8.602   3.473  -6.303
  396    HE   ARG  55           HE       ARG  55  -9.120   3.113  -9.096
  397   HH11  ARG  55          HH11      ARG  55 -10.476   4.261  -6.077
  398   HH12  ARG  55          HH12      ARG  55 -11.764   5.139  -6.849
  399   HH21  ARG  55          HH21      ARG  55 -10.798   4.275 -10.113
  400   HH22  ARG  55          HH22      ARG  55 -11.942   5.153  -9.136
  401    H    GLU  56           HN       GLU  56  -4.773   0.860 -10.431
  402    HA   GLU  56           HA       GLU  56  -6.095   0.294 -12.922
  403    HB2  GLU  56           HB2      GLU  56  -3.259   1.193 -12.386
  404    HB3  GLU  56           HB1      GLU  56  -4.032   1.147 -13.965
  405    HG2  GLU  56           HG2      GLU  56  -5.686   2.788 -13.166
  406    HG3  GLU  56           HG1      GLU  56  -4.824   2.874 -11.630
  407    H    ASP  57           HN       ASP  57  -3.222  -0.937 -11.247
  408    HA   ASP  57           HA       ASP  57  -2.897  -2.991 -13.294
  409    HB2  ASP  57           HB2      ASP  57  -1.201  -1.943 -11.075
  410    HB3  ASP  57           HB1      ASP  57  -0.896  -3.572 -11.670
  411    H    LEU  58           HN       LEU  58  -3.429  -2.850  -9.784
  412    HA   LEU  58           HA       LEU  58  -3.585  -5.758  -9.699
  413    HB2  LEU  58           HB2      LEU  58  -3.399  -3.612  -7.612
  414    HB3  LEU  58           HB1      LEU  58  -3.969  -5.207  -7.164
  415    HG   LEU  58           HG       LEU  58  -1.856  -6.187  -7.952
  416   HD11  LEU  58          HD11      LEU  58  -1.340  -4.508  -9.673
  417   HD12  LEU  58          HD12      LEU  58   0.015  -4.796  -8.580
  418   HD13  LEU  58          HD13      LEU  58  -0.973  -3.344  -8.399
  419   HD21  LEU  58          HD21      LEU  58  -1.504  -3.912  -6.006
  420   HD22  LEU  58          HD22      LEU  58  -0.413  -5.288  -6.192
  421   HD23  LEU  58          HD23      LEU  58  -2.059  -5.541  -5.614
  422    H    GLY  59           HN       GLY  59  -5.703  -3.136  -9.990
  423    HA2  GLY  59           HA2      GLY  59  -7.994  -3.114 -10.256
  424    HA3  GLY  59           HA1      GLY  59  -7.968  -4.865 -10.104
  425    H    LEU  60           HN       LEU  60  -6.721  -2.660  -7.676
  426    HA   LEU  60           HA       LEU  60  -8.559  -3.811  -5.736
  427    HB2  LEU  60           HB2      LEU  60  -6.292  -1.860  -5.375
  428    HB3  LEU  60           HB1      LEU  60  -7.181  -2.635  -4.082
  429    HG   LEU  60           HG       LEU  60  -5.472  -4.085  -6.102
  430   HD11  LEU  60          HD11      LEU  60  -3.892  -4.389  -4.272
  431   HD12  LEU  60          HD12      LEU  60  -4.908  -3.408  -3.217
  432   HD13  LEU  60          HD13      LEU  60  -4.133  -2.676  -4.621
  433   HD21  LEU  60          HD21      LEU  60  -6.854  -5.032  -3.594
  434   HD22  LEU  60          HD22      LEU  60  -5.745  -5.986  -4.573
  435   HD23  LEU  60          HD23      LEU  60  -7.285  -5.458  -5.251
  436    H    ASP  61           HN       ASP  61 -10.505  -2.821  -5.386
  437    HA   ASP  61           HA       ASP  61 -10.682   0.050  -5.840
  438    HB2  ASP  61           HB2      ASP  61 -13.104  -0.202  -5.747
  439    HB3  ASP  61           HB1      ASP  61 -12.414  -1.330  -6.909
  440    H    LEU  62           HN       LEU  62  -9.376   0.500  -4.052
  441    HA   LEU  62           HA       LEU  62 -10.132  -0.164  -1.380
  442    HB2  LEU  62           HB2      LEU  62  -8.305   2.003  -2.397
  443    HB3  LEU  62           HB1      LEU  62  -8.359   1.395  -0.753
  444    HG   LEU  62           HG       LEU  62  -7.654  -0.364  -3.092
  445   HD11  LEU  62          HD11      LEU  62  -5.315   0.012  -2.517
  446   HD12  LEU  62          HD12      LEU  62  -5.800   1.227  -1.332
  447   HD13  LEU  62          HD13      LEU  62  -6.094   1.501  -3.049
  448   HD21  LEU  62          HD21      LEU  62  -6.607  -1.736  -1.364
  449   HD22  LEU  62          HD22      LEU  62  -8.323  -1.498  -1.028
  450   HD23  LEU  62          HD23      LEU  62  -7.113  -0.581  -0.131
  451    H    GLY  63           HN       GLY  63 -10.864   2.348  -3.596
  452    HA2  GLY  63           HA2      GLY  63 -13.082   3.455  -2.825
  453    HA3  GLY  63           HA1      GLY  63 -12.045   4.030  -1.527
  454    HA   PRO  64           HA       PRO  64 -11.469   6.877  -5.198
  455    HB2  PRO  64           HB2      PRO  64 -13.239   8.824  -4.743
  456    HB3  PRO  64           HB1      PRO  64 -13.724   7.315  -5.542
  457    HG2  PRO  64           HG2      PRO  64 -14.108   8.169  -2.704
  458    HG3  PRO  64           HG1      PRO  64 -15.234   7.318  -3.771
  459    HD2  PRO  64           HD2      PRO  64 -13.629   6.124  -1.843
  460    HD3  PRO  64           HD1      PRO  64 -14.359   5.286  -3.226
  461    H    GLU  65           HN       GLU  65 -11.389   6.973  -1.856
  462    HA   GLU  65           HA       GLU  65  -9.934   9.522  -1.810
  463    HB2  GLU  65           HB2      GLU  65 -12.426   9.614  -1.111
  464    HB3  GLU  65           HB1      GLU  65 -11.915   8.737   0.328
  465    HG2  GLU  65           HG2      GLU  65 -10.536  10.558   1.028
  466    HG3  GLU  65           HG1      GLU  65 -10.788  11.411  -0.500
  467    H    PHE  66           HN       PHE  66  -8.711   7.112  -1.897
  468    HA   PHE  66           HA       PHE  66  -7.841   6.608   0.873
  469    HB2  PHE  66           HB2      PHE  66  -8.733   4.614  -0.250
  470    HB3  PHE  66           HB1      PHE  66  -7.566   4.806  -1.552
  471    HD1  PHE  66           HD2      PHE  66  -7.998   3.941   1.998
  472    HD2  PHE  66           HD1      PHE  66  -5.319   4.045  -1.311
  473    HE1  PHE  66           HE2      PHE  66  -6.422   2.524   3.232
  474    HE2  PHE  66           HE1      PHE  66  -3.741   2.613  -0.075
  475    HZ   PHE  66           HZ       PHE  66  -4.286   1.858   2.203
  476    H    SER  67           HN       SER  67  -5.832   7.128   1.463
  477    HA   SER  67           HA       SER  67  -3.761   7.402  -0.575
  478    HB2  SER  67           HB2      SER  67  -4.706   9.685  -0.203
  479    HB3  SER  67           HB1      SER  67  -4.305   9.543   1.510
  480    HG   SER  67           HG       SER  67  -2.767  10.474  -0.353
  481    H    LEU  68           HN       LEU  68  -1.892   6.509   0.064
  482    HA   LEU  68           HA       LEU  68  -1.622   5.114   2.480
  483    HB2  LEU  68           HB2      LEU  68   0.542   6.136   0.646
  484    HB3  LEU  68           HB1      LEU  68   0.779   4.954   1.912
  485    HG   LEU  68           HG       LEU  68  -0.792   4.619  -0.628
  486   HD11  LEU  68          HD11      LEU  68   0.855   2.766  -0.922
  487   HD12  LEU  68          HD12      LEU  68   1.706   3.374   0.499
  488   HD13  LEU  68          HD13      LEU  68   1.562   4.380  -0.947
  489   HD21  LEU  68          HD21      LEU  68  -0.518   2.721   1.693
  490   HD22  LEU  68          HD22      LEU  68  -1.273   2.359   0.141
  491   HD23  LEU  68          HD23      LEU  68  -1.991   3.561   1.212
  492    H    PHE  69           HN       PHE  69  -0.687   8.331   1.527
  493    HA   PHE  69           HA       PHE  69   1.183   8.918   3.512
  494    HB2  PHE  69           HB2      PHE  69   0.771  10.202   1.414
  495    HB3  PHE  69           HB1      PHE  69  -0.721  10.821   2.116
  496    HD1  PHE  69           HD1      PHE  69   2.851  10.499   3.147
  497    HD2  PHE  69           HD2      PHE  69  -0.609  12.951   2.870
  498    HE1  PHE  69           HE1      PHE  69   4.109  12.375   4.118
  499    HE2  PHE  69           HE2      PHE  69   0.640  14.834   3.848
  500    HZ   PHE  69           HZ       PHE  69   3.007  14.545   4.468
  501    H    ILE  70           HN       ILE  70  -2.148   8.397   3.836
  502    HA   ILE  70           HA       ILE  70  -2.209   9.922   6.365
  503    HB   ILE  70           HB       ILE  70  -4.537   9.460   4.463
  504   HG12  ILE  70          HG12      ILE  70  -3.150  11.993   5.374
  505   HG13  ILE  70          HG11      ILE  70  -3.003  11.267   3.780
  506   HG21  ILE  70          HG21      ILE  70  -5.259   9.253   6.786
  507   HG22  ILE  70          HG22      ILE  70  -5.891  10.722   6.040
  508   HG23  ILE  70          HG23      ILE  70  -4.529  10.817   7.155
  509   HD11  ILE  70          HD11      ILE  70  -5.543  12.370   4.961
  510   HD12  ILE  70          HD12      ILE  70  -5.363  11.667   3.354
  511   HD13  ILE  70          HD13      ILE  70  -4.526  13.166   3.760
  512    H    ASP  71           HN       ASP  71  -3.176   6.950   4.689
  513    HA   ASP  71           HA       ASP  71  -4.125   5.907   7.287
  514    HB2  ASP  71           HB2      ASP  71  -5.785   6.227   5.334
  515    HB3  ASP  71           HB1      ASP  71  -5.017   4.807   4.628
  516    H    CYS  72           HN       CYS  72  -1.432   5.733   5.608
  517    HA   CYS  72           HA       CYS  72  -0.859   3.047   6.557
  518    HB2  CYS  72           HB2      CYS  72  -0.465   3.817   3.651
  519    HB3  CYS  72           HB1      CYS  72   0.225   2.384   4.406
  520    HG   CYS  72           HG       CYS  72  -2.979   2.350   5.013
  521    H    THR  73           HN       THR  73   0.713   3.638   7.937
  522    HA   THR  73           HA       THR  73   2.489   5.836   7.195
  523    HB   THR  73           HB       THR  73   3.204   5.686   9.608
  524    HG1  THR  73           HG1      THR  73   1.624   4.454  10.922
  525   HG21  THR  73          HG21      THR  73   0.263   6.078   9.018
  526   HG22  THR  73          HG22      THR  73   1.526   7.304   8.919
  527   HG23  THR  73          HG23      THR  73   1.076   6.622  10.483
  528    H    THR  74           HN       THR  74   2.894   2.536   8.584
  529    HA   THR  74           HA       THR  74   5.637   2.551   7.574
  530    HB   THR  74           HB       THR  74   5.913   0.423   8.779
  531    HG1  THR  74           HG1      THR  74   4.041  -0.028  10.289
  532   HG21  THR  74          HG21      THR  74   5.651   1.312  11.081
  533   HG22  THR  74          HG22      THR  74   4.721   2.657  10.420
  534   HG23  THR  74          HG23      THR  74   6.415   2.459   9.980
  535    H    VAL  75           HN       VAL  75   6.202   0.034   6.805
  536    HA   VAL  75           HA       VAL  75   4.784  -0.154   4.307
  537    HB   VAL  75           HB       VAL  75   6.589  -2.368   5.045
  538   HG11  VAL  75          HG11      VAL  75   7.422  -1.973   2.770
  539   HG12  VAL  75          HG12      VAL  75   6.354  -0.578   2.636
  540   HG13  VAL  75          HG13      VAL  75   5.671  -2.194   2.819
  541   HG21  VAL  75          HG21      VAL  75   7.582   0.450   4.742
  542   HG22  VAL  75          HG22      VAL  75   8.597  -0.986   4.608
  543   HG23  VAL  75          HG23      VAL  75   7.781  -0.625   6.129
  544    H    ARG  76           HN       ARG  76   5.177  -2.107   7.199
  545    HA   ARG  76           HA       ARG  76   3.643  -4.306   6.396
  546    HB2  ARG  76           HB2      ARG  76   5.226  -4.141   8.359
  547    HB3  ARG  76           HB1      ARG  76   3.928  -3.334   9.236
  548    HG2  ARG  76           HG2      ARG  76   3.731  -5.552   9.883
  549    HG3  ARG  76           HG1      ARG  76   2.533  -5.396   8.598
  550    HD2  ARG  76           HD2      ARG  76   4.253  -6.274   7.001
  551    HD3  ARG  76           HD1      ARG  76   5.277  -6.613   8.399
  552    HE   ARG  76           HE       ARG  76   2.590  -7.768   8.331
  553   HH11  ARG  76          HH11      ARG  76   6.068  -8.226   8.144
  554   HH12  ARG  76          HH12      ARG  76   5.956  -9.957   8.214
  555   HH21  ARG  76          HH21      ARG  76   2.463 -10.021   8.417
  556   HH22  ARG  76          HH22      ARG  76   3.917 -10.975   8.380
  557    H    ALA  77           HN       ALA  77   2.777  -1.162   7.598
  558    HA   ALA  77           HA       ALA  77   0.140  -1.673   8.428
  559    HB1  ALA  77           HB1      ALA  77  -0.236   0.703   8.173
  560    HB2  ALA  77           HB2      ALA  77   1.217   0.859   7.189
  561    HB3  ALA  77           HB3      ALA  77   1.347   0.426   8.895
  562    H    LEU  78           HN       LEU  78   1.568  -1.160   5.279
  563    HA   LEU  78           HA       LEU  78  -0.929  -0.952   3.876
  564    HB2  LEU  78           HB2      LEU  78   1.673  -0.395   3.263
  565    HB3  LEU  78           HB1      LEU  78   1.456  -1.910   2.424
  566    HG   LEU  78           HG       LEU  78  -0.357   0.455   2.034
  567   HD11  LEU  78          HD11      LEU  78   2.156  -0.327   0.571
  568   HD12  LEU  78          HD12      LEU  78   1.836   1.179   1.430
  569   HD13  LEU  78          HD13      LEU  78   0.964   0.810  -0.057
  570   HD21  LEU  78          HD21      LEU  78  -1.333  -1.612   1.300
  571   HD22  LEU  78          HD22      LEU  78   0.137  -2.038   0.420
  572   HD23  LEU  78          HD23      LEU  78  -0.837  -0.668  -0.105
  573    H    LYS  79           HN       LYS  79   1.556  -3.433   4.272
  574    HA   LYS  79           HA       LYS  79   0.481  -5.557   2.888
  575    HB2  LYS  79           HB2      LYS  79   1.825  -5.831   5.576
  576    HB3  LYS  79           HB1      LYS  79   1.796  -7.005   4.257
  577    HG2  LYS  79           HG2      LYS  79   3.077  -4.279   3.994
  578    HG3  LYS  79           HG1      LYS  79   3.992  -5.663   4.594
  579    HD2  LYS  79           HD2      LYS  79   3.345  -6.843   2.457
  580    HD3  LYS  79           HD1      LYS  79   2.677  -5.309   1.894
  581    HE2  LYS  79           HE2      LYS  79   4.860  -5.397   1.006
  582    HE3  LYS  79           HE1      LYS  79   4.947  -4.299   2.389
  583    HZ1  LYS  79           HZ1      LYS  79   5.715  -6.302   3.704
  584    HZ2  LYS  79           HZ2      LYS  79   6.806  -5.716   2.551
  585    HZ3  LYS  79           HZ3      LYS  79   5.906  -7.107   2.226
  586    H    ASP  80           HN       ASP  80  -0.026  -4.767   6.300
  587    HA   ASP  80           HA       ASP  80  -1.813  -6.856   6.872
  588    HB2  ASP  80           HB2      ASP  80  -0.589  -5.632   8.607
  589    HB3  ASP  80           HB1      ASP  80  -1.490  -4.169   8.224
  590    H    PHE  81           HN       PHE  81  -2.331  -3.582   5.759
  591    HA   PHE  81           HA       PHE  81  -5.094  -3.435   6.221
  592    HB2  PHE  81           HB2      PHE  81  -3.628  -1.473   5.784
  593    HB3  PHE  81           HB1      PHE  81  -3.512  -1.975   4.097
  594    HD1  PHE  81           HD1      PHE  81  -5.812  -0.754   6.707
  595    HD2  PHE  81           HD2      PHE  81  -5.239  -1.488   2.551
  596    HE1  PHE  81           HE1      PHE  81  -7.868   0.495   6.206
  597    HE2  PHE  81           HE2      PHE  81  -7.297  -0.240   2.042
  598    HZ   PHE  81           HZ       PHE  81  -8.618   0.753   3.875
  599    H    MET  82           HN       MET  82  -3.245  -4.686   3.511
  600    HA   MET  82           HA       MET  82  -5.317  -4.785   1.603
  601    HB2  MET  82           HB2      MET  82  -3.049  -6.740   1.780
  602    HB3  MET  82           HB1      MET  82  -3.903  -6.202   0.339
  603    HG2  MET  82           HG2      MET  82  -3.007  -3.904   0.747
  604    HG3  MET  82           HG1      MET  82  -2.035  -4.592   2.054
  605    HE1  MET  82           HE1      MET  82  -2.944  -4.963  -1.717
  606    HE2  MET  82           HE2      MET  82  -1.329  -4.884  -2.427
  607    HE3  MET  82           HE3      MET  82  -1.961  -3.506  -1.519
  608    H    LEU  83           HN       LEU  83  -4.258  -7.116   4.041
  609    HA   LEU  83           HA       LEU  83  -6.331  -8.990   3.335
  610    HB2  LEU  83           HB2      LEU  83  -4.465  -8.852   5.716
  611    HB3  LEU  83           HB1      LEU  83  -5.617 -10.145   5.462
  612    HG   LEU  83           HG       LEU  83  -4.396 -10.630   3.282
  613   HD11  LEU  83          HD11      LEU  83  -3.238  -8.515   3.025
  614   HD12  LEU  83          HD12      LEU  83  -2.097  -9.859   3.090
  615   HD13  LEU  83          HD13      LEU  83  -2.324  -8.823   4.501
  616   HD21  LEU  83          HD21      LEU  83  -2.876 -10.948   5.875
  617   HD22  LEU  83          HD22      LEU  83  -2.551 -11.838   4.387
  618   HD23  LEU  83          HD23      LEU  83  -4.086 -12.063   5.229
  619    H    GLY  84           HN       GLY  84  -5.787  -6.505   5.748
  620    HA2  GLY  84           HA2      GLY  84  -7.566  -5.113   6.495
  621    HA3  GLY  84           HA1      GLY  84  -8.698  -6.397   6.103
  622    H    SER  85           HN       SER  85  -8.649  -8.319   7.505
  623    HA   SER  85           HA       SER  85  -7.627  -7.872  10.190
  624    HB2  SER  85           HB2      SER  85 -10.595  -8.099   9.640
  625    HB3  SER  85           HB1      SER  85  -9.837  -8.084  11.234
  626    HG   SER  85           HG       SER  85  -9.009  -5.999   9.718
  627    H    GLY  86           HN       GLY  86  -6.449  -9.906   9.369
  628    HA2  GLY  86           HA2      GLY  86  -8.148 -12.232   9.949
  629    HA3  GLY  86           HA1      GLY  86  -7.020 -12.256   8.602
  630    H    ASP  87           HN       ASP  87  -5.965 -14.027   9.485
  631    HA   ASP  87           HA       ASP  87  -4.790 -14.055  12.065
  632    HB2  ASP  87           HB2      ASP  87  -3.882 -15.596   9.621
  633    HB3  ASP  87           HB1      ASP  87  -3.608 -16.027  11.307
  634    H    ALA  88           HN       ALA  88  -3.754 -13.015   8.916
  635    HA   ALA  88           HA       ALA  88  -2.138 -11.603   8.211
  636    HB1  ALA  88           HB1      ALA  88  -1.417 -11.231  11.115
  637    HB2  ALA  88           HB2      ALA  88  -2.590 -10.266  10.213
  638    HB3  ALA  88           HB3      ALA  88  -0.884 -10.233   9.762
  639    H    GLY  89           HN       GLY  89  -1.631 -14.535   9.492
  640    HA2  GLY  89           HA2      GLY  89   0.121 -15.831   8.385
  641    HA3  GLY  89           HA1      GLY  89   1.202 -14.477   8.682
  642   H282  PNS  90          H28A      PNS  44  -1.526  13.518  -3.522
  643   H281  PNS  90          H28B      PNS  44  -3.268  13.395  -3.295
  644   H303  PNS  90          H30A      PNS  44  -2.992  12.973  -5.852
  645   H302  PNS  90          H30B      PNS  44  -1.306  13.486  -5.784
  646   H301  PNS  90          H30C      PNS  44  -2.435  14.306  -6.864
  647   H313  PNS  90          H31A      PNS  44  -4.759  14.342  -4.891
  648   H312  PNS  90          H31B      PNS  44  -4.285  15.766  -5.819
  649   H311  PNS  90          H31C      PNS  44  -4.382  15.851  -4.060
  650    H32  PNS  90          H32A      PNS  44  -2.153  16.808  -4.220
  651    H33  PNS  90          H33A      PNS  44  -0.298  16.027  -3.560
  652    H36  PNS  90          H36A      PNS  44   0.229  16.972  -6.101
  653   H372  PNS  90          H37A      PNS  44   0.371  17.015  -8.586
  654   H371  PNS  90          H37B      PNS  44  -1.226  17.752  -8.543
  655   H382  PNS  90          H38A      PNS  44   0.354  19.486  -8.909
  656   H381  PNS  90          H38B      PNS  44  -0.245  19.651  -7.260
  657    H41  PNS  90          H41A      PNS  44   1.930  20.951  -7.901
  658   H422  PNS  90          H42A      PNS  44   3.924  20.004  -6.100
  659   H421  PNS  90          H42B      PNS  44   4.453  19.901  -7.777
  660   H431  PNS  90          H43A      PNS  44   5.195  21.986  -6.823
  661   H432  PNS  90          H43B      PNS  44   3.551  22.374  -6.320
  662    H44  PNS  90           H1       PNS  44   4.258  23.996  -8.492
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1 -26.708 -11.404   8.575
    2    H2   ALA   1           HT2      ALA   1 -25.456 -10.967   9.634
    3    H3   ALA   1           HT3      ALA   1 -25.359 -12.419   8.766
    4    HA   ALA   1           HA       ALA   1 -25.168 -11.249   6.699
    5    HB1  ALA   1           HB1      ALA   1 -25.329  -8.755   8.403
    6    HB2  ALA   1           HB2      ALA   1 -26.568  -9.326   7.287
    7    HB3  ALA   1           HB3      ALA   1 -25.001  -8.800   6.670
    8    H    MET   2           HN       MET   2 -23.135  -9.761   6.160
    9    HA   MET   2           HA       MET   2 -21.038 -10.189   8.142
   10    HB2  MET   2           HB2      MET   2 -19.549 -11.219   6.445
   11    HB3  MET   2           HB1      MET   2 -20.951 -12.217   6.809
   12    HG2  MET   2           HG2      MET   2 -22.032 -11.470   4.758
   13    HG3  MET   2           HG1      MET   2 -20.659 -10.422   4.404
   14    HE1  MET   2           HE1      MET   2 -20.416 -13.295   1.709
   15    HE2  MET   2           HE2      MET   2 -20.598 -11.560   1.969
   16    HE3  MET   2           HE3      MET   2 -21.908 -12.656   2.401
   17    H    ALA   3           HN       ALA   3 -19.191  -8.852   7.847
   18    HA   ALA   3           HA       ALA   3 -19.315  -6.902   5.672
   19    HB1  ALA   3           HB1      ALA   3 -18.770  -5.090   7.200
   20    HB2  ALA   3           HB2      ALA   3 -18.830  -6.204   8.567
   21    HB3  ALA   3           HB3      ALA   3 -20.296  -5.850   7.653
   22    H    LYS   4           HN       LYS   4 -17.439  -6.544   4.759
   23    HA   LYS   4           HA       LYS   4 -14.928  -7.104   6.088
   24    HB2  LYS   4           HB2      LYS   4 -15.681  -9.278   5.107
   25    HB3  LYS   4           HB1      LYS   4 -15.708  -8.516   3.527
   26    HG2  LYS   4           HG2      LYS   4 -13.696  -9.775   3.713
   27    HG3  LYS   4           HG1      LYS   4 -13.278  -8.062   3.763
   28    HD2  LYS   4           HD2      LYS   4 -13.037  -8.155   6.170
   29    HD3  LYS   4           HD1      LYS   4 -13.577  -9.834   6.191
   30    HE2  LYS   4           HE2      LYS   4 -11.152  -9.709   6.390
   31    HE3  LYS   4           HE1      LYS   4 -11.615 -10.482   4.874
   32    HZ1  LYS   4           HZ1      LYS   4 -11.130  -8.485   3.687
   33    HZ2  LYS   4           HZ2      LYS   4  -9.790  -8.840   4.661
   34    HZ3  LYS   4           HZ3      LYS   4 -10.870  -7.615   5.122
   35    H    GLY   5           HN       GLY   5 -13.231  -5.959   5.169
   36    HA2  GLY   5           HA2      GLY   5 -13.968  -3.863   3.308
   37    HA3  GLY   5           HA1      GLY   5 -12.414  -4.058   4.109
   38    H    VAL   6           HN       VAL   6 -10.782  -5.166   3.097
   39    HA   VAL   6           HA       VAL   6 -11.367  -6.045   0.357
   40    HB   VAL   6           HB       VAL   6  -8.590  -5.407   1.291
   41   HG11  VAL   6          HG11      VAL   6  -9.925  -5.261  -1.408
   42   HG12  VAL   6          HG12      VAL   6  -8.849  -6.540  -0.848
   43   HG13  VAL   6          HG13      VAL   6  -8.229  -4.906  -1.073
   44   HG21  VAL   6          HG21      VAL   6  -9.890  -3.439   1.871
   45   HG22  VAL   6          HG22      VAL   6 -10.593  -3.406   0.254
   46   HG23  VAL   6          HG23      VAL   6  -8.868  -3.105   0.472
   47    H    GLY   7           HN       GLY   7  -8.301  -7.045   1.065
   48    HA2  GLY   7           HA2      GLY   7  -7.787  -9.123   2.343
   49    HA3  GLY   7           HA1      GLY   7  -9.312  -9.741   1.718
   50    H    VAL   8           HN       VAL   8  -5.994  -9.555   1.191
   51    HA   VAL   8           HA       VAL   8  -6.327 -10.095  -1.676
   52    HB   VAL   8           HB       VAL   8  -4.261  -9.071  -2.173
   53   HG11  VAL   8          HG11      VAL   8  -5.587  -7.415  -0.041
   54   HG12  VAL   8          HG12      VAL   8  -5.982  -7.441  -1.758
   55   HG13  VAL   8          HG13      VAL   8  -4.422  -6.818  -1.220
   56   HG21  VAL   8          HG21      VAL   8  -2.862 -10.021  -0.461
   57   HG22  VAL   8          HG22      VAL   8  -3.669  -9.060   0.783
   58   HG23  VAL   8          HG23      VAL   8  -2.681  -8.269  -0.444
   59    H    SER   9           HN       SER   9  -4.812 -11.588  -2.650
   60    HA   SER   9           HA       SER   9  -4.190 -13.810  -0.910
   61    HB2  SER   9           HB2      SER   9  -3.714 -13.554  -3.886
   62    HB3  SER   9           HB1      SER   9  -3.811 -15.037  -2.938
   63    HG   SER   9           HG       SER   9  -5.751 -14.303  -4.185
   64    H    ASN  10           HN       ASN  10  -1.969 -14.934  -1.566
   65    HA   ASN  10           HA       ASN  10   0.046 -13.231  -0.534
   66    HB2  ASN  10           HB2      ASN  10   0.054 -15.645  -0.136
   67    HB3  ASN  10           HB1      ASN  10   0.289 -15.945  -1.854
   68   HD21  ASN  10          HD21      ASN  10   1.758 -14.817   1.090
   69   HD22  ASN  10          HD22      ASN  10   3.399 -14.873   0.537
   70    H    GLU  11           HN       GLU  11  -0.815 -14.243  -3.769
   71    HA   GLU  11           HA       GLU  11   1.499 -13.341  -5.102
   72    HB2  GLU  11           HB2      GLU  11  -1.221 -13.199  -6.370
   73    HB3  GLU  11           HB1      GLU  11   0.309 -13.662  -7.090
   74    HG2  GLU  11           HG2      GLU  11  -0.789 -15.680  -6.991
   75    HG3  GLU  11           HG1      GLU  11   0.147 -15.712  -5.496
   76    H    LYS  12           HN       LYS  12  -1.468 -11.811  -4.112
   77    HA   LYS  12           HA       LYS  12  -1.089  -9.332  -5.427
   78    HB2  LYS  12           HB2      LYS  12  -2.714 -10.171  -3.029
   79    HB3  LYS  12           HB1      LYS  12  -2.723  -8.522  -3.640
   80    HG2  LYS  12           HG2      LYS  12  -3.392 -10.882  -5.387
   81    HG3  LYS  12           HG1      LYS  12  -4.608 -10.065  -4.397
   82    HD2  LYS  12           HD2      LYS  12  -4.156  -7.967  -5.537
   83    HD3  LYS  12           HD1      LYS  12  -2.867  -8.731  -6.479
   84    HE2  LYS  12           HE2      LYS  12  -5.746  -9.638  -6.544
   85    HE3  LYS  12           HE1      LYS  12  -5.074  -8.460  -7.676
   86    HZ1  LYS  12           HZ1      LYS  12  -3.472 -10.117  -8.395
   87    HZ2  LYS  12           HZ2      LYS  12  -5.051 -10.699  -8.596
   88    HZ3  LYS  12           HZ3      LYS  12  -4.103 -11.248  -7.300
   89    H    LEU  13           HN       LEU  13  -0.074 -10.634  -2.347
   90    HA   LEU  13           HA       LEU  13   0.981  -8.236  -1.266
   91    HB2  LEU  13           HB2      LEU  13   0.485 -10.460  -0.095
   92    HB3  LEU  13           HB1      LEU  13   2.037 -11.011  -0.690
   93    HG   LEU  13           HG       LEU  13   3.061  -9.041   0.497
   94   HD11  LEU  13          HD11      LEU  13   1.067  -7.676   0.694
   95   HD12  LEU  13          HD12      LEU  13   1.729  -8.025   2.292
   96   HD13  LEU  13          HD13      LEU  13   0.309  -8.898   1.714
   97   HD21  LEU  13          HD21      LEU  13   1.593 -11.090   2.150
   98   HD22  LEU  13          HD22      LEU  13   2.962 -10.122   2.696
   99   HD23  LEU  13          HD23      LEU  13   3.176 -11.294   1.396
  100    H    ASP  14           HN       ASP  14   2.191 -10.515  -3.608
  101    HA   ASP  14           HA       ASP  14   4.900  -9.522  -3.482
  102    HB2  ASP  14           HB2      ASP  14   3.663 -11.829  -4.497
  103    HB3  ASP  14           HB1      ASP  14   4.228 -10.970  -5.919
  104    H    ALA  15           HN       ALA  15   1.980  -8.869  -5.225
  105    HA   ALA  15           HA       ALA  15   3.264  -7.522  -7.426
  106    HB1  ALA  15           HB1      ALA  15   1.022  -7.091  -8.217
  107    HB2  ALA  15           HB2      ALA  15   0.352  -7.552  -6.654
  108    HB3  ALA  15           HB3      ALA  15   1.131  -8.766  -7.668
  109    H    VAL  16           HN       VAL  16   1.919  -6.655  -4.344
  110    HA   VAL  16           HA       VAL  16   1.649  -3.879  -4.912
  111    HB   VAL  16           HB       VAL  16   0.334  -4.713  -3.123
  112   HG11  VAL  16          HG11      VAL  16   1.744  -6.642  -2.541
  113   HG12  VAL  16          HG12      VAL  16   1.245  -5.730  -1.116
  114   HG13  VAL  16          HG13      VAL  16   2.883  -5.555  -1.748
  115   HG21  VAL  16          HG21      VAL  16   1.003  -3.269  -1.253
  116   HG22  VAL  16          HG22      VAL  16   1.146  -2.449  -2.807
  117   HG23  VAL  16          HG23      VAL  16   2.589  -3.059  -1.995
  118    H    MET  17           HN       MET  17   4.195  -5.821  -3.405
  119    HA   MET  17           HA       MET  17   5.718  -3.643  -2.461
  120    HB2  MET  17           HB2      MET  17   6.596  -6.462  -3.135
  121    HB3  MET  17           HB1      MET  17   7.553  -5.295  -2.251
  122    HG2  MET  17           HG2      MET  17   5.811  -5.214  -0.516
  123    HG3  MET  17           HG1      MET  17   4.937  -6.466  -1.389
  124    HE1  MET  17           HE1      MET  17   9.069  -7.079   0.580
  125    HE2  MET  17           HE2      MET  17   8.190  -5.550   0.562
  126    HE3  MET  17           HE3      MET  17   8.872  -6.195  -0.932
  127    H    ARG  18           HN       ARG  18   5.461  -5.077  -5.624
  128    HA   ARG  18           HA       ARG  18   7.948  -4.026  -6.570
  129    HB2  ARG  18           HB2      ARG  18   7.357  -4.832  -8.714
  130    HB3  ARG  18           HB1      ARG  18   6.826  -6.035  -7.549
  131    HG2  ARG  18           HG2      ARG  18   4.546  -5.136  -7.710
  132    HG3  ARG  18           HG1      ARG  18   5.102  -4.009  -8.951
  133    HD2  ARG  18           HD2      ARG  18   5.806  -5.911 -10.333
  134    HD3  ARG  18           HD1      ARG  18   5.213  -7.013  -9.094
  135    HE   ARG  18           HE       ARG  18   3.378  -5.123 -10.404
  136   HH11  ARG  18          HH11      ARG  18   4.300  -8.383  -9.544
  137   HH12  ARG  18          HH12      ARG  18   2.863  -9.101 -10.218
  138   HH21  ARG  18          HH21      ARG  18   1.472  -6.061 -11.305
  139   HH22  ARG  18          HH22      ARG  18   1.289  -7.789 -11.232
  140    H    VAL  19           HN       VAL  19   4.702  -2.876  -6.307
  141    HA   VAL  19           HA       VAL  19   5.101  -0.646  -8.111
  142    HB   VAL  19           HB       VAL  19   2.845  -1.363  -6.221
  143   HG11  VAL  19          HG11      VAL  19   1.555   0.426  -7.261
  144   HG12  VAL  19          HG12      VAL  19   2.964   0.899  -8.208
  145   HG13  VAL  19          HG13      VAL  19   2.986   1.069  -6.455
  146   HG21  VAL  19          HG21      VAL  19   3.018  -1.416  -9.237
  147   HG22  VAL  19          HG22      VAL  19   1.618  -1.870  -8.271
  148   HG23  VAL  19          HG23      VAL  19   3.097  -2.826  -8.179
  149    H    VAL  20           HN       VAL  20   4.986  -1.313  -4.685
  150    HA   VAL  20           HA       VAL  20   5.426   1.323  -3.757
  151    HB   VAL  20           HB       VAL  20   5.933  -1.418  -2.551
  152   HG11  VAL  20          HG11      VAL  20   6.425   1.221  -1.165
  153   HG12  VAL  20          HG12      VAL  20   7.681   0.111  -1.711
  154   HG13  VAL  20          HG13      VAL  20   6.554  -0.386  -0.448
  155   HG21  VAL  20          HG21      VAL  20   3.611  -0.749  -2.615
  156   HG22  VAL  20          HG22      VAL  20   4.001   0.815  -1.910
  157   HG23  VAL  20          HG23      VAL  20   4.179  -0.652  -0.948
  158    H    SER  21           HN       SER  21   7.514  -1.196  -5.008
  159    HA   SER  21           HA       SER  21   9.988  -0.182  -4.177
  160    HB2  SER  21           HB2      SER  21   9.630  -2.484  -5.128
  161    HB3  SER  21           HB1      SER  21   9.430  -1.764  -6.719
  162    HG   SER  21           HG       SER  21  11.736  -1.205  -5.203
  163    H    GLU  22           HN       GLU  22   7.840   0.921  -6.704
  164    HA   GLU  22           HA       GLU  22   9.961   2.322  -8.086
  165    HB2  GLU  22           HB2      GLU  22   7.001   2.121  -8.581
  166    HB3  GLU  22           HB1      GLU  22   8.056   3.159  -9.529
  167    HG2  GLU  22           HG2      GLU  22   9.403   1.090 -10.051
  168    HG3  GLU  22           HG1      GLU  22   8.074   0.165  -9.355
  169    H    GLU  23           HN       GLU  23   6.997   3.123  -6.353
  170    HA   GLU  23           HA       GLU  23   7.334   5.922  -6.730
  171    HB2  GLU  23           HB2      GLU  23   5.450   4.391  -4.922
  172    HB3  GLU  23           HB1      GLU  23   5.334   6.108  -5.249
  173    HG2  GLU  23           HG2      GLU  23   5.085   3.903  -7.280
  174    HG3  GLU  23           HG1      GLU  23   3.755   4.829  -6.589
  175    H    SER  24           HN       SER  24   8.160   3.688  -4.170
  176    HA   SER  24           HA       SER  24   8.837   5.873  -2.368
  177    HB2  SER  24           HB2      SER  24   9.076   2.885  -1.976
  178    HB3  SER  24           HB1      SER  24   9.268   4.125  -0.729
  179    HG   SER  24           HG       SER  24   6.966   4.608  -1.862
  180    H    GLY  25           HN       GLY  25  10.400   3.608  -4.524
  181    HA2  GLY  25           HA2      GLY  25  12.529   4.070  -5.498
  182    HA3  GLY  25           HA1      GLY  25  12.866   5.151  -4.154
  183    H    ILE  26           HN       ILE  26  11.644   2.257  -2.972
  184    HA   ILE  26           HA       ILE  26  14.351   1.408  -2.254
  185    HB   ILE  26           HB       ILE  26  11.886   0.152  -1.108
  186   HG12  ILE  26          HG12      ILE  26  13.147   2.651   0.045
  187   HG13  ILE  26          HG11      ILE  26  11.691   2.684  -0.949
  188   HG21  ILE  26          HG21      ILE  26  14.085  -0.813  -0.629
  189   HG22  ILE  26          HG22      ILE  26  13.331  -0.172   0.831
  190   HG23  ILE  26          HG23      ILE  26  14.616   0.733   0.032
  191   HD11  ILE  26          HD11      ILE  26  12.039   1.269   1.691
  192   HD12  ILE  26          HD12      ILE  26  10.571   1.254   0.715
  193   HD13  ILE  26          HD13      ILE  26  11.151   2.768   1.418
  194    H    ALA  27           HN       ALA  27  15.215  -0.427  -3.050
  195    HA   ALA  27           HA       ALA  27  14.016  -1.879  -5.136
  196    HB1  ALA  27           HB1      ALA  27  15.909  -3.421  -4.873
  197    HB2  ALA  27           HB2      ALA  27  16.300  -2.675  -3.323
  198    HB3  ALA  27           HB3      ALA  27  16.440  -1.740  -4.811
  199    H    LEU  28           HN       LEU  28  13.091  -3.928  -5.195
  200    HA   LEU  28           HA       LEU  28  11.236  -4.560  -3.234
  201    HB2  LEU  28           HB2      LEU  28  11.097  -5.345  -5.528
  202    HB3  LEU  28           HB1      LEU  28  12.543  -6.310  -5.323
  203    HG   LEU  28           HG       LEU  28  11.231  -7.625  -3.570
  204   HD11  LEU  28          HD11      LEU  28   9.395  -6.127  -3.183
  205   HD12  LEU  28          HD12      LEU  28   8.770  -7.605  -3.917
  206   HD13  LEU  28          HD13      LEU  28   8.963  -6.147  -4.891
  207   HD21  LEU  28          HD21      LEU  28  10.172  -9.008  -5.282
  208   HD22  LEU  28          HD22      LEU  28  11.788  -8.493  -5.771
  209   HD23  LEU  28          HD23      LEU  28  10.366  -7.703  -6.453
  210    H    GLU  29           HN       GLU  29  14.566  -5.577  -3.548
  211    HA   GLU  29           HA       GLU  29  14.326  -7.668  -1.557
  212    HB2  GLU  29           HB2      GLU  29  16.888  -6.540  -2.658
  213    HB3  GLU  29           HB1      GLU  29  16.582  -8.156  -2.041
  214    HG2  GLU  29           HG2      GLU  29  15.323  -8.746  -3.992
  215    HG3  GLU  29           HG1      GLU  29  15.342  -7.076  -4.564
  216    H    GLU  30           HN       GLU  30  14.637  -4.341  -1.432
  217    HA   GLU  30           HA       GLU  30  16.014  -4.490   1.176
  218    HB2  GLU  30           HB2      GLU  30  15.777  -2.065  -0.606
  219    HB3  GLU  30           HB1      GLU  30  16.752  -2.223   0.849
  220    HG2  GLU  30           HG2      GLU  30  18.113  -3.938  -0.353
  221    HG3  GLU  30           HG1      GLU  30  17.201  -3.543  -1.811
  222    H    LEU  31           HN       LEU  31  13.150  -4.130  -0.362
  223    HA   LEU  31           HA       LEU  31  11.915  -2.113   1.230
  224    HB2  LEU  31           HB2      LEU  31  11.244  -3.393  -1.080
  225    HB3  LEU  31           HB1      LEU  31  10.248  -4.280   0.058
  226    HG   LEU  31           HG       LEU  31  10.043  -1.478  -0.875
  227   HD11  LEU  31          HD11      LEU  31   7.668  -1.995  -0.827
  228   HD12  LEU  31          HD12      LEU  31   8.010  -3.543  -0.056
  229   HD13  LEU  31          HD13      LEU  31   8.564  -3.238  -1.701
  230   HD21  LEU  31          HD21      LEU  31   8.704  -0.841   1.087
  231   HD22  LEU  31          HD22      LEU  31  10.407  -1.098   1.467
  232   HD23  LEU  31          HD23      LEU  31   9.215  -2.328   1.888
  233    H    THR  32           HN       THR  32  12.117  -2.504   3.356
  234    HA   THR  32           HA       THR  32  11.266  -5.114   4.368
  235    HB   THR  32           HB       THR  32  12.355  -4.424   6.487
  236    HG1  THR  32           HG1      THR  32  13.716  -2.290   5.366
  237   HG21  THR  32          HG21      THR  32  13.755  -5.676   4.957
  238   HG22  THR  32          HG22      THR  32  14.727  -4.383   5.652
  239   HG23  THR  32          HG23      THR  32  14.102  -4.226   4.009
  240    H    ASP  33           HN       ASP  33   9.821  -5.162   6.238
  241    HA   ASP  33           HA       ASP  33   7.610  -3.428   5.725
  242    HB2  ASP  33           HB2      ASP  33   8.059  -5.718   7.603
  243    HB3  ASP  33           HB1      ASP  33   6.611  -4.726   7.720
  244    H    ASP  34           HN       ASP  34  10.293  -3.072   7.616
  245    HA   ASP  34           HA       ASP  34   8.918  -1.821   9.865
  246    HB2  ASP  34           HB2      ASP  34  11.864  -2.417   9.517
  247    HB3  ASP  34           HB1      ASP  34  11.071  -1.897  11.006
  248    H    SER  35           HN       SER  35  10.384  -0.871   6.950
  249    HA   SER  35           HA       SER  35  11.287   1.711   7.926
  250    HB2  SER  35           HB2      SER  35  12.293   0.565   5.907
  251    HB3  SER  35           HB1      SER  35  10.808   0.937   5.036
  252    HG   SER  35           HG       SER  35  11.992   2.676   4.608
  253    H    ASN  36           HN       ASN  36  10.412   3.716   7.091
  254    HA   ASN  36           HA       ASN  36   7.480   3.572   7.418
  255    HB2  ASN  36           HB2      ASN  36   8.849   4.378   9.402
  256    HB3  ASN  36           HB1      ASN  36   9.309   5.756   8.424
  257   HD21  ASN  36          HD21      ASN  36   6.724   4.332  10.288
  258   HD22  ASN  36          HD22      ASN  36   5.668   5.689  10.182
  259    H    PHE  37           HN       PHE  37   6.315   4.525   5.872
  260    HA   PHE  37           HA       PHE  37   7.405   5.630   3.554
  261    HB2  PHE  37           HB2      PHE  37   4.661   5.686   4.765
  262    HB3  PHE  37           HB1      PHE  37   4.999   6.639   3.324
  263    HD1  PHE  37           HD1      PHE  37   6.563   5.118   1.631
  264    HD2  PHE  37           HD2      PHE  37   3.533   3.733   4.271
  265    HE1  PHE  37           HE1      PHE  37   6.232   3.165   0.204
  266    HE2  PHE  37           HE2      PHE  37   3.194   1.751   2.843
  267    HZ   PHE  37           HZ       PHE  37   4.548   1.467   0.808
  268    H    ALA  38           HN       ALA  38   5.912   7.305   6.323
  269    HA   ALA  38           HA       ALA  38   6.302   9.907   5.267
  270    HB1  ALA  38           HB1      ALA  38   5.854   8.993   8.097
  271    HB2  ALA  38           HB2      ALA  38   4.619   9.469   6.930
  272    HB3  ALA  38           HB3      ALA  38   5.766  10.665   7.539
  273    H    ASP  39           HN       ASP  39   8.303   7.769   7.187
  274    HA   ASP  39           HA       ASP  39  10.176   9.720   8.061
  275    HB2  ASP  39           HB2      ASP  39   9.968   7.476   9.100
  276    HB3  ASP  39           HB1      ASP  39  10.612   6.755   7.628
  277    H    MET  40           HN       MET  40   9.775   7.920   5.122
  278    HA   MET  40           HA       MET  40  12.470   8.584   4.222
  279    HB2  MET  40           HB2      MET  40  10.283   7.005   2.866
  280    HB3  MET  40           HB1      MET  40  11.898   7.252   2.217
  281    HG2  MET  40           HG2      MET  40  12.778   6.162   4.317
  282    HG3  MET  40           HG1      MET  40  11.113   5.709   4.669
  283    HE1  MET  40           HE1      MET  40  13.524   4.258   1.017
  284    HE2  MET  40           HE2      MET  40  14.161   5.313   2.281
  285    HE3  MET  40           HE3      MET  40  12.928   5.909   1.170
  286    H    GLY  41           HN       GLY  41   9.435   9.987   4.163
  287    HA2  GLY  41           HA2      GLY  41   9.163  12.228   3.346
  288    HA3  GLY  41           HA1      GLY  41  10.422  11.915   2.163
  289    H    ILE  42           HN       ILE  42   7.890   9.587   2.603
  290    HA   ILE  42           HA       ILE  42   6.967   9.882  -0.073
  291    HB   ILE  42           HB       ILE  42   5.830   8.333   2.268
  292   HG12  ILE  42          HG12      ILE  42   8.052   7.654   1.378
  293   HG13  ILE  42          HG11      ILE  42   6.816   6.414   1.200
  294   HG21  ILE  42          HG21      ILE  42   4.933   8.401  -0.606
  295   HG22  ILE  42          HG22      ILE  42   3.981   8.760   0.840
  296   HG23  ILE  42          HG23      ILE  42   4.515   7.110   0.521
  297   HD11  ILE  42          HD11      ILE  42   7.804   8.262  -0.964
  298   HD12  ILE  42          HD12      ILE  42   6.558   7.026  -1.154
  299   HD13  ILE  42          HD13      ILE  42   8.215   6.557  -0.773
  300    H    ASP  43           HN       ASP  43   5.919  11.680  -0.649
  301    HA   ASP  43           HA       ASP  43   4.224  13.143   1.180
  302    HB2  ASP  43           HB2      ASP  43   4.738  13.493  -1.783
  303    HB3  ASP  43           HB1      ASP  43   3.702  14.552  -0.839
  304    H    SER  44           HN       SER  44   2.072  13.906   0.188
  305    HA   SER  44           HA       SER  44   0.225  11.812   0.187
  306    HB2  SER  44           HB2      SER  44  -1.317  13.662  -0.697
  307    HB3  SER  44           HB1      SER  44  -0.466  14.008   0.819
  308    H    LEU  45           HN       LEU  45   1.687  13.637  -2.443
  309    HA   LEU  45           HA       LEU  45   0.092  12.723  -4.548
  310    HB2  LEU  45           HB2      LEU  45   1.809  14.636  -4.512
  311    HB3  LEU  45           HB1      LEU  45   3.033  13.407  -4.778
  312    HG   LEU  45           HG       LEU  45   2.284  14.698  -6.808
  313   HD11  LEU  45          HD11      LEU  45   1.992  11.705  -6.869
  314   HD12  LEU  45          HD12      LEU  45   3.488  12.621  -7.038
  315   HD13  LEU  45          HD13      LEU  45   2.238  12.737  -8.278
  316   HD21  LEU  45          HD21      LEU  45  -0.208  13.037  -6.464
  317   HD22  LEU  45          HD22      LEU  45   0.195  14.003  -7.883
  318   HD23  LEU  45          HD23      LEU  45  -0.093  14.790  -6.332
  319    H    SER  46           HN       SER  46   3.343  11.560  -3.603
  320    HA   SER  46           HA       SER  46   3.431   9.439  -5.423
  321    HB2  SER  46           HB2      SER  46   4.822   9.482  -2.742
  322    HB3  SER  46           HB1      SER  46   5.364   8.712  -4.237
  323    HG   SER  46           HG       SER  46   5.812  10.687  -5.096
  324    H    SER  47           HN       SER  47   2.411   9.501  -2.031
  325    HA   SER  47           HA       SER  47   2.028   6.714  -1.808
  326    HB2  SER  47           HB2      SER  47   0.688   7.324   0.220
  327    HB3  SER  47           HB1      SER  47   2.306   8.030   0.174
  328    HG   SER  47           HG       SER  47   1.480   9.976  -0.132
  329    H    MET  48           HN       MET  48  -0.036   9.308  -2.913
  330    HA   MET  48           HA       MET  48  -2.440   7.770  -2.939
  331    HB2  MET  48           HB2      MET  48  -2.314  10.290  -2.923
  332    HB3  MET  48           HB1      MET  48  -1.712  10.236  -4.560
  333    HG2  MET  48           HG2      MET  48  -4.477   9.295  -3.746
  334    HG3  MET  48           HG1      MET  48  -4.090  10.888  -4.367
  335    HE1  MET  48           HE1      MET  48  -6.066  10.413  -6.109
  336    HE2  MET  48           HE2      MET  48  -6.262   8.747  -5.569
  337    HE3  MET  48           HE3      MET  48  -6.040   9.097  -7.283
  338    H    VAL  49           HN       VAL  49   0.097   8.545  -5.227
  339    HA   VAL  49           HA       VAL  49  -1.021   7.423  -7.539
  340    HB   VAL  49           HB       VAL  49   1.832   7.891  -6.652
  341   HG11  VAL  49          HG11      VAL  49   0.942   6.809  -9.328
  342   HG12  VAL  49          HG12      VAL  49   1.855   5.929  -8.103
  343   HG13  VAL  49          HG13      VAL  49   2.577   7.320  -8.909
  344   HG21  VAL  49          HG21      VAL  49   0.169   9.154  -8.843
  345   HG22  VAL  49          HG22      VAL  49   1.801   9.623  -8.367
  346   HG23  VAL  49          HG23      VAL  49   0.457   9.853  -7.248
  347    H    ILE  50           HN       ILE  50   1.071   6.016  -5.029
  348    HA   ILE  50           HA       ILE  50   1.381   3.474  -6.027
  349    HB   ILE  50           HB       ILE  50   0.891   4.090  -3.115
  350   HG12  ILE  50          HG12      ILE  50   3.471   4.212  -4.700
  351   HG13  ILE  50          HG11      ILE  50   2.591   5.601  -4.072
  352   HG21  ILE  50          HG21      ILE  50   0.905   1.716  -3.736
  353   HG22  ILE  50          HG22      ILE  50   2.272   2.139  -2.708
  354   HG23  ILE  50          HG23      ILE  50   2.507   1.917  -4.442
  355   HD11  ILE  50          HD11      ILE  50   2.986   4.788  -1.793
  356   HD12  ILE  50          HD12      ILE  50   4.484   5.096  -2.674
  357   HD13  ILE  50          HD13      ILE  50   3.912   3.442  -2.452
  358    H    GLY  51           HN       GLY  51  -1.196   4.532  -3.785
  359    HA2  GLY  51           HA2      GLY  51  -2.653   2.118  -3.861
  360    HA3  GLY  51           HA1      GLY  51  -3.297   3.679  -3.374
  361    H    SER  52           HN       SER  52  -2.705   4.922  -5.957
  362    HA   SER  52           HA       SER  52  -5.058   4.237  -7.378
  363    HB2  SER  52           HB2      SER  52  -3.296   6.372  -7.406
  364    HB3  SER  52           HB1      SER  52  -3.040   5.622  -8.983
  365    HG   SER  52           HG       SER  52  -4.743   7.224  -8.918
  366    H    ARG  53           HN       ARG  53  -1.613   3.524  -7.920
  367    HA   ARG  53           HA       ARG  53  -1.924   2.146 -10.361
  368    HB2  ARG  53           HB2      ARG  53   0.199   1.704  -8.260
  369    HB3  ARG  53           HB1      ARG  53   0.276   1.189  -9.941
  370    HG2  ARG  53           HG2      ARG  53  -0.049   3.705 -10.458
  371    HG3  ARG  53           HG1      ARG  53   0.484   3.930  -8.791
  372    HD2  ARG  53           HD2      ARG  53   2.561   3.881  -9.641
  373    HD3  ARG  53           HD1      ARG  53   2.306   2.135  -9.727
  374    HE   ARG  53           HE       ARG  53   1.392   3.594 -12.051
  375   HH11  ARG  53          HH11      ARG  53   4.019   1.847 -10.540
  376   HH12  ARG  53          HH12      ARG  53   4.895   1.596 -12.015
  377   HH21  ARG  53          HH21      ARG  53   2.553   3.295 -14.015
  378   HH22  ARG  53          HH22      ARG  53   4.060   2.422 -13.998
  379    H    PHE  54           HN       PHE  54  -2.397   1.190  -7.042
  380    HA   PHE  54           HA       PHE  54  -2.501  -1.602  -7.276
  381    HB2  PHE  54           HB2      PHE  54  -4.159   0.315  -5.618
  382    HB3  PHE  54           HB1      PHE  54  -4.295  -1.428  -5.486
  383    HD1  PHE  54           HD1      PHE  54  -1.027  -0.991  -6.194
  384    HD2  PHE  54           HD2      PHE  54  -3.779  -0.243  -3.045
  385    HE1  PHE  54           HE1      PHE  54   0.829  -0.997  -4.574
  386    HE2  PHE  54           HE2      PHE  54  -1.935  -0.261  -1.418
  387    HZ   PHE  54           HZ       PHE  54   0.278  -0.632  -2.079
  388    H    ARG  55           HN       ARG  55  -4.867   0.887  -8.038
  389    HA   ARG  55           HA       ARG  55  -6.935  -1.012  -8.680
  390    HB2  ARG  55           HB2      ARG  55  -6.880   1.937  -9.320
  391    HB3  ARG  55           HB1      ARG  55  -8.291   0.903  -9.145
  392    HG2  ARG  55           HG2      ARG  55  -7.332   0.583  -6.705
  393    HG3  ARG  55           HG1      ARG  55  -6.562   2.129  -7.061
  394    HD2  ARG  55           HD2      ARG  55  -9.515   1.607  -7.352
  395    HD3  ARG  55           HD1      ARG  55  -8.777   2.326  -5.925
  396    HE   ARG  55           HE       ARG  55  -7.921   3.938  -7.897
  397   HH11  ARG  55          HH11      ARG  55 -11.129   2.716  -7.099
  398   HH12  ARG  55          HH12      ARG  55 -11.934   4.145  -7.676
  399   HH21  ARG  55          HH21      ARG  55  -8.996   5.801  -8.651
  400   HH22  ARG  55          HH22      ARG  55 -10.729   5.911  -8.543
  401    H    GLU  56           HN       GLU  56  -4.412   0.659 -10.322
  402    HA   GLU  56           HA       GLU  56  -5.462   0.428 -12.966
  403    HB2  GLU  56           HB2      GLU  56  -2.638   0.903 -12.001
  404    HB3  GLU  56           HB1      GLU  56  -3.170   1.063 -13.668
  405    HG2  GLU  56           HG2      GLU  56  -4.256   2.683 -11.377
  406    HG3  GLU  56           HG1      GLU  56  -2.962   3.210 -12.456
  407    H    ASP  57           HN       ASP  57  -2.696  -1.216 -11.419
  408    HA   ASP  57           HA       ASP  57  -2.678  -3.142 -13.608
  409    HB2  ASP  57           HB2      ASP  57  -0.544  -2.176 -12.919
  410    HB3  ASP  57           HB1      ASP  57  -0.770  -2.781 -11.283
  411    H    LEU  58           HN       LEU  58  -3.171  -3.099 -10.118
  412    HA   LEU  58           HA       LEU  58  -3.355  -5.999 -10.053
  413    HB2  LEU  58           HB2      LEU  58  -3.309  -3.873  -7.927
  414    HB3  LEU  58           HB1      LEU  58  -3.773  -5.520  -7.547
  415    HG   LEU  58           HG       LEU  58  -1.568  -6.326  -8.248
  416   HD11  LEU  58          HD11      LEU  58   0.217  -4.762  -8.797
  417   HD12  LEU  58          HD12      LEU  58  -0.931  -3.425  -8.745
  418   HD13  LEU  58          HD13      LEU  58  -1.090  -4.677  -9.977
  419   HD21  LEU  58          HD21      LEU  58  -1.399  -3.996  -6.345
  420   HD22  LEU  58          HD22      LEU  58  -0.260  -5.336  -6.459
  421   HD23  LEU  58          HD23      LEU  58  -1.914  -5.632  -5.926
  422    H    GLY  59           HN       GLY  59  -5.447  -3.267 -10.125
  423    HA2  GLY  59           HA2      GLY  59  -7.740  -3.182 -10.369
  424    HA3  GLY  59           HA1      GLY  59  -7.780  -4.935 -10.284
  425    H    LEU  60           HN       LEU  60  -6.273  -3.010  -7.792
  426    HA   LEU  60           HA       LEU  60  -8.115  -4.124  -5.843
  427    HB2  LEU  60           HB2      LEU  60  -5.761  -2.299  -5.420
  428    HB3  LEU  60           HB1      LEU  60  -6.622  -3.186  -4.180
  429    HG   LEU  60           HG       LEU  60  -5.048  -4.482  -6.402
  430   HD11  LEU  60          HD11      LEU  60  -3.410  -4.976  -4.610
  431   HD12  LEU  60          HD12      LEU  60  -4.319  -3.915  -3.530
  432   HD13  LEU  60          HD13      LEU  60  -3.547  -3.258  -4.972
  433   HD21  LEU  60          HD21      LEU  60  -6.217  -5.612  -3.862
  434   HD22  LEU  60          HD22      LEU  60  -5.348  -6.501  -5.115
  435   HD23  LEU  60          HD23      LEU  60  -6.923  -5.792  -5.468
  436    H    ASP  61           HN       ASP  61 -10.051  -2.998  -6.022
  437    HA   ASP  61           HA       ASP  61  -9.964  -0.103  -6.079
  438    HB2  ASP  61           HB2      ASP  61 -11.643  -1.387  -7.463
  439    HB3  ASP  61           HB1      ASP  61 -12.433  -1.845  -5.952
  440    H    LEU  62           HN       LEU  62  -8.921   0.055  -4.092
  441    HA   LEU  62           HA       LEU  62  -9.996  -0.874  -1.634
  442    HB2  LEU  62           HB2      LEU  62  -8.085   1.381  -2.196
  443    HB3  LEU  62           HB1      LEU  62  -8.284   0.564  -0.656
  444    HG   LEU  62           HG       LEU  62  -7.403  -0.926  -3.111
  445   HD11  LEU  62          HD11      LEU  62  -5.106  -0.529  -2.453
  446   HD12  LEU  62          HD12      LEU  62  -5.646   0.524  -1.145
  447   HD13  LEU  62          HD13      LEU  62  -5.914   0.993  -2.823
  448   HD21  LEU  62          HD21      LEU  62  -8.111  -2.244  -1.176
  449   HD22  LEU  62          HD22      LEU  62  -6.972  -1.364  -0.156
  450   HD23  LEU  62          HD23      LEU  62  -6.376  -2.400  -1.454
  451    H    GLY  63           HN       GLY  63  -9.698   2.357  -3.033
  452    HA2  GLY  63           HA2      GLY  63 -12.296   3.227  -2.450
  453    HA3  GLY  63           HA1      GLY  63 -11.214   3.732  -1.158
  454    HA   PRO  64           HA       PRO  64 -10.749   6.312  -5.141
  455    HB2  PRO  64           HB2      PRO  64 -12.645   8.235  -4.922
  456    HB3  PRO  64           HB1      PRO  64 -12.918   6.693  -5.751
  457    HG2  PRO  64           HG2      PRO  64 -13.759   7.554  -3.028
  458    HG3  PRO  64           HG1      PRO  64 -14.624   6.554  -4.204
  459    HD2  PRO  64           HD2      PRO  64 -13.258   5.587  -2.016
  460    HD3  PRO  64           HD1      PRO  64 -13.619   4.644  -3.474
  461    H    GLU  65           HN       GLU  65 -10.968   6.868  -1.830
  462    HA   GLU  65           HA       GLU  65  -9.460   9.390  -2.084
  463    HB2  GLU  65           HB2      GLU  65 -11.228   8.559   0.230
  464    HB3  GLU  65           HB1      GLU  65 -10.401  10.105   0.034
  465    HG2  GLU  65           HG2      GLU  65 -11.764  10.616  -1.899
  466    HG3  GLU  65           HG1      GLU  65 -12.583   9.061  -1.761
  467    H    PHE  66           HN       PHE  66  -8.573   6.527  -1.953
  468    HA   PHE  66           HA       PHE  66  -7.403   6.210   0.658
  469    HB2  PHE  66           HB2      PHE  66  -8.149   4.246  -0.565
  470    HB3  PHE  66           HB1      PHE  66  -7.072   4.632  -1.900
  471    HD1  PHE  66           HD2      PHE  66  -7.187   3.553   1.621
  472    HD2  PHE  66           HD1      PHE  66  -4.812   3.952  -1.881
  473    HE1  PHE  66           HE2      PHE  66  -5.432   2.187   2.660
  474    HE2  PHE  66           HE1      PHE  66  -3.054   2.588  -0.849
  475    HZ   PHE  66           HZ       PHE  66  -3.359   1.671   1.390
  476    H    SER  67           HN       SER  67  -5.522   7.037   1.309
  477    HA   SER  67           HA       SER  67  -3.375   7.371  -0.663
  478    HB2  SER  67           HB2      SER  67  -4.423   9.599  -0.416
  479    HB3  SER  67           HB1      SER  67  -4.165   9.529   1.329
  480    HG   SER  67           HG       SER  67  -2.460  10.278  -0.611
  481    H    LEU  68           HN       LEU  68  -1.553   6.446   0.078
  482    HA   LEU  68           HA       LEU  68  -1.418   5.164   2.568
  483    HB2  LEU  68           HB2      LEU  68   0.838   5.973   0.745
  484    HB3  LEU  68           HB1      LEU  68   0.992   4.874   2.098
  485    HG   LEU  68           HG       LEU  68  -0.646   4.415  -0.389
  486   HD11  LEU  68          HD11      LEU  68   1.678   4.205  -0.860
  487   HD12  LEU  68          HD12      LEU  68   1.016   2.574  -0.687
  488   HD13  LEU  68          HD13      LEU  68   1.952   3.295   0.628
  489   HD21  LEU  68          HD21      LEU  68  -1.008   2.179   0.530
  490   HD22  LEU  68          HD22      LEU  68  -1.692   3.425   1.575
  491   HD23  LEU  68          HD23      LEU  68  -0.166   2.652   2.007
  492    H    PHE  69           HN       PHE  69  -0.688   8.411   1.668
  493    HA   PHE  69           HA       PHE  69   1.089   9.012   3.804
  494    HB2  PHE  69           HB2      PHE  69   0.918  10.284   1.662
  495    HB3  PHE  69           HB1      PHE  69  -0.655  10.882   2.169
  496    HD1  PHE  69           HD1      PHE  69   2.567  10.543   4.017
  497    HD2  PHE  69           HD2      PHE  69  -0.462  13.113   2.507
  498    HE1  PHE  69           HE1      PHE  69   3.665  12.461   5.099
  499    HE2  PHE  69           HE2      PHE  69   0.621  15.044   3.589
  500    HZ   PHE  69           HZ       PHE  69   2.690  14.716   4.889
  501    H    ILE  70           HN       ILE  70  -2.248   8.450   3.650
  502    HA   ILE  70           HA       ILE  70  -2.625   9.813   6.243
  503    HB   ILE  70           HB       ILE  70  -4.704   9.524   4.040
  504   HG12  ILE  70          HG12      ILE  70  -3.398  11.969   5.267
  505   HG13  ILE  70          HG11      ILE  70  -3.114  11.349   3.646
  506   HG21  ILE  70          HG21      ILE  70  -5.706   9.173   6.239
  507   HG22  ILE  70          HG22      ILE  70  -6.239  10.692   5.520
  508   HG23  ILE  70          HG23      ILE  70  -5.024  10.702   6.797
  509   HD11  ILE  70          HD11      ILE  70  -5.448  11.806   3.067
  510   HD12  ILE  70          HD12      ILE  70  -4.590  13.260   3.573
  511   HD13  ILE  70          HD13      ILE  70  -5.712  12.467   4.681
  512    H    ASP  71           HN       ASP  71  -3.419   7.022   4.222
  513    HA   ASP  71           HA       ASP  71  -4.942   5.817   6.392
  514    HB2  ASP  71           HB2      ASP  71  -4.543   4.943   3.517
  515    HB3  ASP  71           HB1      ASP  71  -5.560   4.129   4.690
  516    H    CYS  72           HN       CYS  72  -1.801   6.000   5.928
  517    HA   CYS  72           HA       CYS  72  -1.212   3.433   7.052
  518    HB2  CYS  72           HB2      CYS  72  -0.251   4.100   4.259
  519    HB3  CYS  72           HB1      CYS  72   0.496   2.869   5.271
  520    HG   CYS  72           HG       CYS  72  -2.747   2.334   5.108
  521    H    THR  73           HN       THR  73   1.188   3.269   7.484
  522    HA   THR  73           HA       THR  73   2.497   5.896   7.584
  523    HB   THR  73           HB       THR  73   3.121   5.553   9.935
  524    HG1  THR  73           HG1      THR  73   1.530   3.711  10.828
  525   HG21  THR  73          HG21      THR  73   0.813   5.714  10.945
  526   HG22  THR  73          HG22      THR  73   0.174   5.360   9.333
  527   HG23  THR  73          HG23      THR  73   1.124   6.823   9.604
  528    H    THR  74           HN       THR  74   3.202   2.629   8.860
  529    HA   THR  74           HA       THR  74   5.825   2.681   7.639
  530    HB   THR  74           HB       THR  74   6.141   0.478   8.678
  531    HG1  THR  74           HG1      THR  74   4.289  -0.139  10.167
  532   HG21  THR  74          HG21      THR  74   5.903   1.158  11.046
  533   HG22  THR  74          HG22      THR  74   4.928   2.533  10.527
  534   HG23  THR  74          HG23      THR  74   6.621   2.418  10.044
  535    H    VAL  75           HN       VAL  75   6.280   0.154   6.697
  536    HA   VAL  75           HA       VAL  75   4.730   0.253   4.275
  537    HB   VAL  75           HB       VAL  75   7.223  -1.194   5.059
  538   HG11  VAL  75          HG11      VAL  75   7.250  -2.369   2.945
  539   HG12  VAL  75          HG12      VAL  75   5.673  -1.697   2.531
  540   HG13  VAL  75          HG13      VAL  75   5.821  -2.830   3.872
  541   HG21  VAL  75          HG21      VAL  75   6.474   0.648   2.789
  542   HG22  VAL  75          HG22      VAL  75   8.084  -0.029   3.067
  543   HG23  VAL  75          HG23      VAL  75   7.387   1.096   4.234
  544    H    ARG  76           HN       ARG  76   5.359  -1.909   6.937
  545    HA   ARG  76           HA       ARG  76   3.743  -4.065   6.213
  546    HB2  ARG  76           HB2      ARG  76   5.361  -4.155   8.015
  547    HB3  ARG  76           HB1      ARG  76   4.444  -2.964   8.930
  548    HG2  ARG  76           HG2      ARG  76   2.609  -4.503   9.142
  549    HG3  ARG  76           HG1      ARG  76   3.456  -5.703   8.162
  550    HD2  ARG  76           HD2      ARG  76   4.192  -4.673  10.887
  551    HD3  ARG  76           HD1      ARG  76   3.765  -6.321  10.434
  552    HE   ARG  76           HE       ARG  76   5.897  -6.174   9.022
  553   HH11  ARG  76          HH11      ARG  76   5.465  -4.724  12.179
  554   HH12  ARG  76          HH12      ARG  76   7.172  -4.583  12.485
  555   HH21  ARG  76          HH21      ARG  76   8.151  -5.998   9.439
  556   HH22  ARG  76          HH22      ARG  76   8.702  -5.282  10.923
  557    H    ALA  77           HN       ALA  77   2.945  -0.963   7.654
  558    HA   ALA  77           HA       ALA  77   0.321  -1.450   8.460
  559    HB1  ALA  77           HB1      ALA  77   1.499   0.642   8.928
  560    HB2  ALA  77           HB2      ALA  77  -0.059   0.948   8.162
  561    HB3  ALA  77           HB3      ALA  77   1.427   1.073   7.220
  562    H    LEU  78           HN       LEU  78   1.675  -0.971   5.264
  563    HA   LEU  78           HA       LEU  78  -0.804  -0.702   3.874
  564    HB2  LEU  78           HB2      LEU  78   1.789  -0.361   3.229
  565    HB3  LEU  78           HB1      LEU  78   1.533  -1.931   2.524
  566    HG   LEU  78           HG       LEU  78  -0.150   0.475   1.870
  567   HD11  LEU  78          HD11      LEU  78   2.391  -0.539   0.616
  568   HD12  LEU  78          HD12      LEU  78   2.057   1.072   1.249
  569   HD13  LEU  78          HD13      LEU  78   1.252   0.519  -0.220
  570   HD21  LEU  78          HD21      LEU  78   0.278  -2.163   0.478
  571   HD22  LEU  78          HD22      LEU  78  -0.634  -0.807  -0.172
  572   HD23  LEU  78          HD23      LEU  78  -1.196  -1.624   1.289
  573    H    LYS  79           HN       LYS  79   1.445  -3.341   4.469
  574    HA   LYS  79           HA       LYS  79   0.212  -5.490   3.243
  575    HB2  LYS  79           HB2      LYS  79   1.499  -5.744   5.959
  576    HB3  LYS  79           HB1      LYS  79   1.498  -6.899   4.624
  577    HG2  LYS  79           HG2      LYS  79   2.848  -4.213   4.399
  578    HG3  LYS  79           HG1      LYS  79   3.702  -5.584   5.101
  579    HD2  LYS  79           HD2      LYS  79   3.687  -6.745   3.077
  580    HD3  LYS  79           HD1      LYS  79   2.367  -5.772   2.415
  581    HE2  LYS  79           HE2      LYS  79   5.108  -4.706   3.063
  582    HE3  LYS  79           HE1      LYS  79   4.610  -5.232   1.447
  583    HZ1  LYS  79           HZ1      LYS  79   4.369  -2.876   1.620
  584    HZ2  LYS  79           HZ2      LYS  79   3.476  -3.005   3.051
  585    HZ3  LYS  79           HZ3      LYS  79   2.816  -3.552   1.589
  586    H    ASP  80           HN       ASP  80  -0.146  -4.493   6.624
  587    HA   ASP  80           HA       ASP  80  -2.151  -6.198   7.444
  588    HB2  ASP  80           HB2      ASP  80  -1.037  -4.787   9.029
  589    HB3  ASP  80           HB1      ASP  80  -1.581  -3.330   8.207
  590    H    PHE  81           HN       PHE  81  -2.542  -3.041   5.922
  591    HA   PHE  81           HA       PHE  81  -5.333  -2.890   6.121
  592    HB2  PHE  81           HB2      PHE  81  -3.856  -0.956   5.633
  593    HB3  PHE  81           HB1      PHE  81  -3.556  -1.615   4.024
  594    HD1  PHE  81           HD1      PHE  81  -6.100  -0.134   6.229
  595    HD2  PHE  81           HD2      PHE  81  -5.144  -1.367   2.274
  596    HE1  PHE  81           HE1      PHE  81  -8.099   1.025   5.393
  597    HE2  PHE  81           HE2      PHE  81  -7.148  -0.211   1.425
  598    HZ   PHE  81           HZ       PHE  81  -8.631   0.984   2.988
  599    H    MET  82           HN       MET  82  -3.264  -4.368   3.700
  600    HA   MET  82           HA       MET  82  -5.158  -4.458   1.609
  601    HB2  MET  82           HB2      MET  82  -2.849  -6.345   2.017
  602    HB3  MET  82           HB1      MET  82  -3.669  -5.992   0.503
  603    HG2  MET  82           HG2      MET  82  -2.907  -3.638   0.691
  604    HG3  MET  82           HG1      MET  82  -1.975  -4.101   2.117
  605    HE1  MET  82           HE1      MET  82  -1.844  -3.504  -1.574
  606    HE2  MET  82           HE2      MET  82  -2.629  -5.084  -1.621
  607    HE3  MET  82           HE3      MET  82  -0.998  -4.895  -2.264
  608    H    LEU  83           HN       LEU  83  -4.257  -6.892   4.035
  609    HA   LEU  83           HA       LEU  83  -6.288  -8.678   2.998
  610    HB2  LEU  83           HB2      LEU  83  -4.380  -9.003   5.324
  611    HB3  LEU  83           HB1      LEU  83  -5.496 -10.236   4.786
  612    HG   LEU  83           HG       LEU  83  -4.252 -10.110   2.525
  613   HD11  LEU  83          HD11      LEU  83  -2.220  -8.769   4.295
  614   HD12  LEU  83          HD12      LEU  83  -3.056  -8.040   2.924
  615   HD13  LEU  83          HD13      LEU  83  -1.929  -9.372   2.664
  616   HD21  LEU  83          HD21      LEU  83  -2.522 -11.666   3.274
  617   HD22  LEU  83          HD22      LEU  83  -4.061 -12.023   4.060
  618   HD23  LEU  83          HD23      LEU  83  -2.794 -11.177   4.948
  619    H    GLY  84           HN       GLY  84  -5.714  -6.684   5.840
  620    HA2  GLY  84           HA2      GLY  84  -8.030  -5.791   6.565
  621    HA3  GLY  84           HA1      GLY  84  -8.335  -7.490   6.898
  622    H    SER  85           HN       SER  85  -7.785  -4.788   8.421
  623    HA   SER  85           HA       SER  85  -5.550  -5.340  10.116
  624    HB2  SER  85           HB2      SER  85  -7.818  -3.396  10.574
  625    HB3  SER  85           HB1      SER  85  -6.177  -3.300  11.213
  626    HG   SER  85           HG       SER  85  -5.417  -3.005   9.087
  627    H    GLY  86           HN       GLY  86  -7.181  -7.578  10.233
  628    HA2  GLY  86           HA2      GLY  86  -8.353  -7.385  12.941
  629    HA3  GLY  86           HA1      GLY  86  -9.073  -8.363  11.671
  630    H    ASP  87           HN       ASP  87  -5.626  -8.112  12.227
  631    HA   ASP  87           HA       ASP  87  -5.615 -10.948  13.025
  632    HB2  ASP  87           HB2      ASP  87  -4.402 -10.204  10.883
  633    HB3  ASP  87           HB1      ASP  87  -3.250  -9.409  11.952
  634    H    ALA  88           HN       ALA  88  -5.581 -11.012  15.192
  635    HA   ALA  88           HA       ALA  88  -4.751 -10.945  17.286
  636    HB1  ALA  88           HB1      ALA  88  -2.533 -10.135  17.764
  637    HB2  ALA  88           HB2      ALA  88  -2.449  -9.331  16.196
  638    HB3  ALA  88           HB3      ALA  88  -2.505 -11.092  16.283
  639    H    GLY  89           HN       GLY  89  -4.919  -9.652  19.061
  640    HA2  GLY  89           HA2      GLY  89  -5.287  -6.775  18.623
  641    HA3  GLY  89           HA1      GLY  89  -6.575  -7.680  19.408
  642   H282  PNS  90          H28A      PNS  44  -1.419  15.520  -3.768
  643   H281  PNS  90          H28B      PNS  44  -1.368  13.990  -2.882
  644   H303  PNS  90          H30A      PNS  44  -4.194  13.657  -5.222
  645   H302  PNS  90          H30B      PNS  44  -2.630  12.996  -4.740
  646   H301  PNS  90          H30C      PNS  44  -2.715  14.559  -5.551
  647   H313  PNS  90          H31A      PNS  44  -5.005  13.427  -2.829
  648   H312  PNS  90          H31B      PNS  44  -4.060  14.159  -1.533
  649   H311  PNS  90          H31C      PNS  44  -3.434  12.755  -2.396
  650    H32  PNS  90          H32A      PNS  44  -4.279  16.325  -2.648
  651    H33  PNS  90          H33A      PNS  44  -3.768  17.752  -4.292
  652    H36  PNS  90          H36A      PNS  44  -5.390  17.514  -5.101
  653   H372  PNS  90          H37A      PNS  44  -7.200  16.006  -6.534
  654   H371  PNS  90          H37B      PNS  44  -8.011  16.414  -5.022
  655   H382  PNS  90          H38A      PNS  44  -8.581  18.047  -6.696
  656   H381  PNS  90          H38B      PNS  44  -7.583  18.802  -5.458
  657    H41  PNS  90          H41A      PNS  44  -5.724  16.805  -7.345
  658   H422  PNS  90          H42A      PNS  44  -5.184  17.970  -9.738
  659   H421  PNS  90          H42B      PNS  44  -4.288  18.952  -8.579
  660   H431  PNS  90          H43A      PNS  44  -3.075  17.014  -7.809
  661   H432  PNS  90          H43B      PNS  44  -2.920  17.145  -9.561
  662    H44  PNS  90           H1       PNS  44  -4.783  15.134 -10.102
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1 -19.375   1.040  11.714
    2    H2   ALA   1           HT2      ALA   1 -18.920   2.509  11.002
    3    H3   ALA   1           HT3      ALA   1 -18.822   2.317  12.683
    4    HA   ALA   1           HA       ALA   1 -16.640   2.173  11.649
    5    HB1  ALA   1           HB1      ALA   1 -17.132   0.926  13.720
    6    HB2  ALA   1           HB2      ALA   1 -15.940   0.102  12.712
    7    HB3  ALA   1           HB3      ALA   1 -17.609  -0.467  12.749
    8    H    MET   2           HN       MET   2 -15.234   0.190  10.694
    9    HA   MET   2           HA       MET   2 -16.566  -0.486   8.157
   10    HB2  MET   2           HB2      MET   2 -14.337  -0.693   7.180
   11    HB3  MET   2           HB1      MET   2 -14.542   0.890   7.914
   12    HG2  MET   2           HG2      MET   2 -13.282   0.081   9.891
   13    HG3  MET   2           HG1      MET   2 -13.006  -1.443   9.049
   14    HE1  MET   2           HE1      MET   2 -12.594  -0.489   6.081
   15    HE2  MET   2           HE2      MET   2 -11.504  -1.657   6.828
   16    HE3  MET   2           HE3      MET   2 -10.848  -0.256   5.981
   17    H    ALA   3           HN       ALA   3 -16.289  -2.623   7.292
   18    HA   ALA   3           HA       ALA   3 -15.201  -4.659   9.027
   19    HB1  ALA   3           HB1      ALA   3 -18.138  -4.629   8.347
   20    HB2  ALA   3           HB2      ALA   3 -17.434  -4.374   9.945
   21    HB3  ALA   3           HB3      ALA   3 -17.272  -5.940   9.151
   22    H    LYS   4           HN       LYS   4 -14.455  -6.306   7.927
   23    HA   LYS   4           HA       LYS   4 -13.917  -7.737   6.246
   24    HB2  LYS   4           HB2      LYS   4 -16.404  -8.025   6.043
   25    HB3  LYS   4           HB1      LYS   4 -16.402  -6.755   4.830
   26    HG2  LYS   4           HG2      LYS   4 -14.961  -8.111   3.408
   27    HG3  LYS   4           HG1      LYS   4 -14.962  -9.393   4.622
   28    HD2  LYS   4           HD2      LYS   4 -16.556  -9.952   2.922
   29    HD3  LYS   4           HD1      LYS   4 -17.441  -9.511   4.381
   30    HE2  LYS   4           HE2      LYS   4 -17.821  -7.272   3.471
   31    HE3  LYS   4           HE1      LYS   4 -16.942  -7.718   2.011
   32    HZ1  LYS   4           HZ1      LYS   4 -18.612  -9.490   1.667
   33    HZ2  LYS   4           HZ2      LYS   4 -19.268  -7.925   1.591
   34    HZ3  LYS   4           HZ3      LYS   4 -19.494  -8.874   2.978
   35    H    GLY   5           HN       GLY   5 -13.069  -7.766   4.024
   36    HA2  GLY   5           HA2      GLY   5 -12.868  -5.195   2.685
   37    HA3  GLY   5           HA1      GLY   5 -11.366  -5.879   3.293
   38    H    VAL   6           HN       VAL   6 -10.461  -6.199   1.276
   39    HA   VAL   6           HA       VAL   6 -11.828  -7.855  -0.671
   40    HB   VAL   6           HB       VAL   6  -9.016  -6.761  -0.718
   41   HG11  VAL   6          HG11      VAL   6 -10.681  -7.990  -2.904
   42   HG12  VAL   6          HG12      VAL   6  -9.262  -8.706  -2.143
   43   HG13  VAL   6          HG13      VAL   6  -9.094  -7.249  -3.123
   44   HG21  VAL   6          HG21      VAL   6 -10.636  -4.959  -0.688
   45   HG22  VAL   6          HG22      VAL   6 -11.540  -5.721  -1.997
   46   HG23  VAL   6          HG23      VAL   6  -9.916  -5.094  -2.292
   47    H    GLY   7           HN       GLY   7  -8.616  -8.056   0.858
   48    HA2  GLY   7           HA2      GLY   7  -7.669  -9.945   1.906
   49    HA3  GLY   7           HA1      GLY   7  -9.005 -10.920   1.298
   50    H    VAL   8           HN       VAL   8  -5.786 -10.010   0.823
   51    HA   VAL   8           HA       VAL   8  -5.872 -10.788  -2.006
   52    HB   VAL   8           HB       VAL   8  -3.844  -9.619  -2.387
   53   HG11  VAL   8          HG11      VAL   8  -5.772  -8.156  -2.223
   54   HG12  VAL   8          HG12      VAL   8  -4.307  -7.344  -1.675
   55   HG13  VAL   8          HG13      VAL   8  -5.477  -7.935  -0.499
   56   HG21  VAL   8          HG21      VAL   8  -2.506  -8.590  -0.606
   57   HG22  VAL   8          HG22      VAL   8  -2.580 -10.345  -0.469
   58   HG23  VAL   8          HG23      VAL   8  -3.556  -9.335   0.600
   59    H    SER   9           HN       SER   9  -4.226 -12.209  -2.819
   60    HA   SER   9           HA       SER   9  -3.456 -14.271  -0.952
   61    HB2  SER   9           HB2      SER   9  -2.939 -14.048  -3.932
   62    HB3  SER   9           HB1      SER   9  -2.720 -15.493  -2.945
   63    HG   SER   9           HG       SER   9  -4.833 -14.967  -4.231
   64    H    ASN  10           HN       ASN  10  -1.114 -15.166  -1.350
   65    HA   ASN  10           HA       ASN  10   0.732 -13.247  -0.421
   66    HB2  ASN  10           HB2      ASN  10   0.815 -15.777  -0.130
   67    HB3  ASN  10           HB1      ASN  10   1.389 -15.872  -1.787
   68   HD21  ASN  10          HD21      ASN  10   2.658 -16.707   0.677
   69   HD22  ASN  10          HD22      ASN  10   4.169 -15.858   0.765
   70    H    GLU  11           HN       GLU  11   0.010 -14.588  -3.560
   71    HA   GLU  11           HA       GLU  11   2.015 -13.422  -5.112
   72    HB2  GLU  11           HB2      GLU  11   0.611 -15.102  -6.048
   73    HB3  GLU  11           HB1      GLU  11  -0.846 -14.191  -5.690
   74    HG2  GLU  11           HG2      GLU  11  -0.007 -12.466  -7.335
   75    HG3  GLU  11           HG1      GLU  11   1.220 -13.650  -7.792
   76    H    LYS  12           HN       LYS  12  -1.123 -12.149  -4.099
   77    HA   LYS  12           HA       LYS  12  -0.911  -9.697  -5.523
   78    HB2  LYS  12           HB2      LYS  12  -2.571 -10.528  -3.149
   79    HB3  LYS  12           HB1      LYS  12  -2.688  -8.933  -3.885
   80    HG2  LYS  12           HG2      LYS  12  -3.065 -11.462  -5.470
   81    HG3  LYS  12           HG1      LYS  12  -4.397 -10.695  -4.607
   82    HD2  LYS  12           HD2      LYS  12  -4.042  -8.635  -5.883
   83    HD3  LYS  12           HD1      LYS  12  -2.694  -9.382  -6.740
   84    HE2  LYS  12           HE2      LYS  12  -5.559 -10.335  -6.804
   85    HE3  LYS  12           HE1      LYS  12  -4.773  -9.391  -8.064
   86    HZ1  LYS  12           HZ1      LYS  12  -3.249 -11.206  -8.463
   87    HZ2  LYS  12           HZ2      LYS  12  -4.843 -11.770  -8.574
   88    HZ3  LYS  12           HZ3      LYS  12  -3.925 -12.102  -7.193
   89    H    LEU  13           HN       LEU  13   0.129 -10.809  -2.389
   90    HA   LEU  13           HA       LEU  13   0.937  -8.281  -1.371
   91    HB2  LEU  13           HB2      LEU  13   0.622 -10.340  -0.002
   92    HB3  LEU  13           HB1      LEU  13   2.071 -11.016  -0.711
   93    HG   LEU  13           HG       LEU  13   3.396  -9.204   0.279
   94   HD11  LEU  13          HD11      LEU  13   2.362  -7.724   1.950
   95   HD12  LEU  13          HD12      LEU  13   0.777  -8.355   1.494
   96   HD13  LEU  13          HD13      LEU  13   1.737  -7.451   0.322
   97   HD21  LEU  13          HD21      LEU  13   3.175  -9.874   2.632
   98   HD22  LEU  13          HD22      LEU  13   3.159 -11.256   1.536
   99   HD23  LEU  13          HD23      LEU  13   1.651 -10.675   2.244
  100    H    ASP  14           HN       ASP  14   2.369 -10.535  -3.603
  101    HA   ASP  14           HA       ASP  14   4.976  -9.325  -3.480
  102    HB2  ASP  14           HB2      ASP  14   3.966 -11.724  -4.490
  103    HB3  ASP  14           HB1      ASP  14   4.425 -10.822  -5.927
  104    H    ALA  15           HN       ALA  15   2.049  -8.912  -5.288
  105    HA   ALA  15           HA       ALA  15   3.261  -7.393  -7.418
  106    HB1  ALA  15           HB1      ALA  15   0.349  -7.785  -6.725
  107    HB2  ALA  15           HB2      ALA  15   1.285  -8.773  -7.846
  108    HB3  ALA  15           HB3      ALA  15   0.968  -7.072  -8.215
  109    H    VAL  16           HN       VAL  16   1.765  -6.729  -4.355
  110    HA   VAL  16           HA       VAL  16   1.315  -3.963  -4.896
  111    HB   VAL  16           HB       VAL  16  -0.062  -4.957  -3.221
  112   HG11  VAL  16          HG11      VAL  16   1.450  -6.738  -2.460
  113   HG12  VAL  16          HG12      VAL  16   0.807  -5.819  -1.099
  114   HG13  VAL  16          HG13      VAL  16   2.459  -5.539  -1.651
  115   HG21  VAL  16          HG21      VAL  16   0.305  -3.412  -1.346
  116   HG22  VAL  16          HG22      VAL  16   0.503  -2.610  -2.906
  117   HG23  VAL  16          HG23      VAL  16   1.923  -3.064  -1.961
  118    H    MET  17           HN       MET  17   3.796  -5.737  -3.105
  119    HA   MET  17           HA       MET  17   5.104  -3.494  -2.063
  120    HB2  MET  17           HB2      MET  17   6.258  -6.223  -2.698
  121    HB3  MET  17           HB1      MET  17   7.030  -4.997  -1.717
  122    HG2  MET  17           HG2      MET  17   5.093  -5.091  -0.170
  123    HG3  MET  17           HG1      MET  17   4.491  -6.451  -1.110
  124    HE1  MET  17           HE1      MET  17   7.247  -9.159  -0.535
  125    HE2  MET  17           HE2      MET  17   7.115  -8.019  -1.876
  126    HE3  MET  17           HE3      MET  17   5.671  -8.815  -1.248
  127    H    ARG  18           HN       ARG  18   5.386  -5.022  -5.240
  128    HA   ARG  18           HA       ARG  18   7.746  -3.608  -5.942
  129    HB2  ARG  18           HB2      ARG  18   7.137  -4.150  -8.306
  130    HB3  ARG  18           HB1      ARG  18   7.291  -5.536  -7.239
  131    HG2  ARG  18           HG2      ARG  18   5.058  -5.975  -7.268
  132    HG3  ARG  18           HG1      ARG  18   4.613  -4.318  -7.680
  133    HD2  ARG  18           HD2      ARG  18   6.055  -6.208  -9.525
  134    HD3  ARG  18           HD1      ARG  18   4.310  -5.940  -9.539
  135    HE   ARG  18           HE       ARG  18   5.883  -3.534  -9.778
  136   HH11  ARG  18          HH11      ARG  18   4.478  -6.185 -11.591
  137   HH12  ARG  18          HH12      ARG  18   4.241  -5.227 -13.024
  138   HH21  ARG  18          HH21      ARG  18   5.627  -2.308 -11.647
  139   HH22  ARG  18          HH22      ARG  18   4.919  -3.034 -13.066
  140    H    VAL  19           HN       VAL  19   4.293  -2.895  -6.224
  141    HA   VAL  19           HA       VAL  19   4.590  -0.570  -7.825
  142    HB   VAL  19           HB       VAL  19   2.406  -1.495  -5.943
  143   HG11  VAL  19          HG11      VAL  19   2.503   1.039  -7.566
  144   HG12  VAL  19          HG12      VAL  19   2.344   0.890  -5.820
  145   HG13  VAL  19          HG13      VAL  19   1.031   0.358  -6.872
  146   HG21  VAL  19          HG21      VAL  19   2.756  -2.663  -8.116
  147   HG22  VAL  19          HG22      VAL  19   2.434  -1.137  -8.944
  148   HG23  VAL  19          HG23      VAL  19   1.178  -1.895  -7.971
  149    H    VAL  20           HN       VAL  20   4.460  -1.161  -4.382
  150    HA   VAL  20           HA       VAL  20   4.745   1.495  -3.504
  151    HB   VAL  20           HB       VAL  20   5.319  -1.207  -2.287
  152   HG11  VAL  20          HG11      VAL  20   5.893   1.429  -0.927
  153   HG12  VAL  20          HG12      VAL  20   7.107   0.270  -1.465
  154   HG13  VAL  20          HG13      VAL  20   5.973  -0.170  -0.186
  155   HG21  VAL  20          HG21      VAL  20   3.645  -0.349  -0.621
  156   HG22  VAL  20          HG22      VAL  20   3.029  -0.573  -2.258
  157   HG23  VAL  20          HG23      VAL  20   3.415   1.046  -1.673
  158    H    SER  21           HN       SER  21   7.119  -0.953  -4.427
  159    HA   SER  21           HA       SER  21   9.347   0.508  -3.405
  160    HB2  SER  21           HB2      SER  21   8.954  -2.087  -4.122
  161    HB3  SER  21           HB1      SER  21   9.882  -1.501  -5.501
  162    HG   SER  21           HG       SER  21  11.555  -1.036  -4.198
  163    H    GLU  22           HN       GLU  22   7.530   0.525  -6.337
  164    HA   GLU  22           HA       GLU  22   9.572   1.679  -7.975
  165    HB2  GLU  22           HB2      GLU  22   6.628   1.189  -8.329
  166    HB3  GLU  22           HB1      GLU  22   7.582   2.052  -9.540
  167    HG2  GLU  22           HG2      GLU  22   9.033   0.108  -9.787
  168    HG3  GLU  22           HG1      GLU  22   8.110  -0.746  -8.549
  169    H    GLU  23           HN       GLU  23   6.721   2.874  -6.268
  170    HA   GLU  23           HA       GLU  23   7.168   5.556  -7.269
  171    HB2  GLU  23           HB2      GLU  23   5.114   4.550  -5.277
  172    HB3  GLU  23           HB1      GLU  23   5.115   6.135  -6.019
  173    HG2  GLU  23           HG2      GLU  23   4.754   3.507  -7.414
  174    HG3  GLU  23           HG1      GLU  23   3.512   4.717  -7.136
  175    H    SER  24           HN       SER  24   8.332   3.736  -4.695
  176    HA   SER  24           HA       SER  24   8.812   6.099  -3.041
  177    HB2  SER  24           HB2      SER  24   9.791   4.479  -1.425
  178    HB3  SER  24           HB1      SER  24   8.105   4.149  -1.807
  179    HG   SER  24           HG       SER  24   8.649   2.354  -2.778
  180    H    GLY  25           HN       GLY  25  10.517   3.609  -4.876
  181    HA2  GLY  25           HA2      GLY  25  12.529   4.054  -6.114
  182    HA3  GLY  25           HA1      GLY  25  12.861   5.394  -5.019
  183    H    ILE  26           HN       ILE  26  11.982   2.054  -4.217
  184    HA   ILE  26           HA       ILE  26  14.625   1.725  -2.950
  185    HB   ILE  26           HB       ILE  26  12.144   0.480  -1.800
  186   HG12  ILE  26          HG12      ILE  26  13.242   3.132  -0.840
  187   HG13  ILE  26          HG11      ILE  26  11.883   3.010  -1.954
  188   HG21  ILE  26          HG21      ILE  26  13.477   0.493   0.275
  189   HG22  ILE  26          HG22      ILE  26  14.804   1.258  -0.604
  190   HG23  ILE  26          HG23      ILE  26  14.285  -0.372  -1.035
  191   HD11  ILE  26          HD11      ILE  26  10.616   1.777  -0.265
  192   HD12  ILE  26          HD12      ILE  26  11.156   3.339   0.354
  193   HD13  ILE  26          HD13      ILE  26  11.994   1.864   0.835
  194    H    ALA  27           HN       ALA  27  15.182  -0.533  -2.601
  195    HA   ALA  27           HA       ALA  27  14.397  -2.272  -4.781
  196    HB1  ALA  27           HB1      ALA  27  16.738  -2.201  -4.094
  197    HB2  ALA  27           HB2      ALA  27  16.071  -3.815  -3.825
  198    HB3  ALA  27           HB3      ALA  27  16.287  -2.710  -2.467
  199    H    LEU  28           HN       LEU  28  13.268  -4.166  -4.607
  200    HA   LEU  28           HA       LEU  28  11.156  -4.240  -2.752
  201    HB2  LEU  28           HB2      LEU  28  10.908  -5.202  -4.930
  202    HB3  LEU  28           HB1      LEU  28  12.277  -6.265  -4.685
  203    HG   LEU  28           HG       LEU  28  10.903  -7.406  -2.872
  204   HD11  LEU  28          HD11      LEU  28   8.455  -7.176  -3.117
  205   HD12  LEU  28          HD12      LEU  28   8.724  -5.789  -4.172
  206   HD13  LEU  28          HD13      LEU  28   9.236  -5.726  -2.484
  207   HD21  LEU  28          HD21      LEU  28   9.918  -7.508  -5.718
  208   HD22  LEU  28          HD22      LEU  28   9.667  -8.749  -4.491
  209   HD23  LEU  28          HD23      LEU  28  11.297  -8.391  -5.061
  210    H    GLU  29           HN       GLU  29  14.303  -5.781  -2.778
  211    HA   GLU  29           HA       GLU  29  13.687  -7.707  -0.749
  212    HB2  GLU  29           HB2      GLU  29  16.412  -6.773  -1.622
  213    HB3  GLU  29           HB1      GLU  29  15.991  -8.294  -0.840
  214    HG2  GLU  29           HG2      GLU  29  14.965  -7.473  -3.537
  215    HG3  GLU  29           HG1      GLU  29  16.408  -8.464  -3.303
  216    H    GLU  30           HN       GLU  30  14.257  -4.419  -0.690
  217    HA   GLU  30           HA       GLU  30  15.412  -4.500   2.013
  218    HB2  GLU  30           HB2      GLU  30  15.249  -2.124   0.155
  219    HB3  GLU  30           HB1      GLU  30  16.108  -2.219   1.687
  220    HG2  GLU  30           HG2      GLU  30  16.807  -3.571  -0.901
  221    HG3  GLU  30           HG1      GLU  30  17.714  -2.334  -0.044
  222    H    LEU  31           HN       LEU  31  12.537  -4.229   0.446
  223    HA   LEU  31           HA       LEU  31  11.402  -2.193   2.157
  224    HB2  LEU  31           HB2      LEU  31  10.685  -2.564  -0.220
  225    HB3  LEU  31           HB1      LEU  31   9.990  -4.099   0.279
  226    HG   LEU  31           HG       LEU  31   8.561  -2.791   1.907
  227   HD11  LEU  31          HD11      LEU  31   9.937  -0.772   1.934
  228   HD12  LEU  31          HD12      LEU  31   8.268  -0.422   1.479
  229   HD13  LEU  31          HD13      LEU  31   9.528  -0.478   0.245
  230   HD21  LEU  31          HD21      LEU  31   8.251  -2.309  -1.047
  231   HD22  LEU  31          HD22      LEU  31   6.980  -2.069   0.150
  232   HD23  LEU  31          HD23      LEU  31   7.632  -3.683  -0.136
  233    H    THR  32           HN       THR  32  11.483  -2.919   4.234
  234    HA   THR  32           HA       THR  32  10.003  -5.404   4.842
  235    HB   THR  32           HB       THR  32  11.351  -5.692   6.798
  236    HG1  THR  32           HG1      THR  32  12.345  -4.082   7.767
  237   HG21  THR  32          HG21      THR  32  12.498  -6.393   4.764
  238   HG22  THR  32          HG22      THR  32  13.653  -5.767   5.938
  239   HG23  THR  32          HG23      THR  32  13.168  -4.772   4.562
  240    H    ASP  33           HN       ASP  33   8.932  -5.254   7.102
  241    HA   ASP  33           HA       ASP  33   7.281  -2.912   7.071
  242    HB2  ASP  33           HB2      ASP  33   6.245  -3.960   9.132
  243    HB3  ASP  33           HB1      ASP  33   6.155  -4.893   7.645
  244    H    ASP  34           HN       ASP  34  10.287  -3.423   8.286
  245    HA   ASP  34           HA       ASP  34  10.154  -1.903  10.701
  246    HB2  ASP  34           HB2      ASP  34  12.538  -2.350   8.887
  247    HB3  ASP  34           HB1      ASP  34  12.588  -1.808  10.564
  248    H    SER  35           HN       SER  35  10.096  -1.138   7.385
  249    HA   SER  35           HA       SER  35  11.357   1.458   7.592
  250    HB2  SER  35           HB2      SER  35   9.736   0.290   5.319
  251    HB3  SER  35           HB1      SER  35  10.851   1.653   5.226
  252    HG   SER  35           HG       SER  35  12.199  -0.361   6.269
  253    H    ASN  36           HN       ASN  36  10.333   3.412   7.002
  254    HA   ASN  36           HA       ASN  36   7.480   3.564   7.745
  255    HB2  ASN  36           HB2      ASN  36   9.087   4.309   9.592
  256    HB3  ASN  36           HB1      ASN  36   9.615   5.568   8.497
  257   HD21  ASN  36          HD21      ASN  36   6.817   4.472  10.411
  258   HD22  ASN  36          HD22      ASN  36   6.027   5.997  10.381
  259    H    PHE  37           HN       PHE  37   6.353   4.499   6.070
  260    HA   PHE  37           HA       PHE  37   7.669   5.226   3.726
  261    HB2  PHE  37           HB2      PHE  37   4.860   5.847   4.617
  262    HB3  PHE  37           HB1      PHE  37   5.471   6.309   3.046
  263    HD1  PHE  37           HD1      PHE  37   7.065   3.968   2.281
  264    HD2  PHE  37           HD2      PHE  37   3.283   4.220   4.226
  265    HE1  PHE  37           HE1      PHE  37   6.473   1.735   1.421
  266    HE2  PHE  37           HE2      PHE  37   2.687   2.003   3.368
  267    HZ   PHE  37           HZ       PHE  37   4.332   0.775   1.875
  268    H    ALA  38           HN       ALA  38   6.473   7.233   6.381
  269    HA   ALA  38           HA       ALA  38   6.821   9.726   5.079
  270    HB1  ALA  38           HB1      ALA  38   6.601  10.720   7.279
  271    HB2  ALA  38           HB2      ALA  38   6.843   9.146   8.036
  272    HB3  ALA  38           HB3      ALA  38   5.400   9.446   7.064
  273    H    ASP  39           HN       ASP  39   8.954   7.558   6.732
  274    HA   ASP  39           HA       ASP  39  11.061   9.390   7.299
  275    HB2  ASP  39           HB2      ASP  39  10.805   7.144   8.380
  276    HB3  ASP  39           HB1      ASP  39  11.258   6.400   6.849
  277    H    MET  40           HN       MET  40  10.115   7.549   4.514
  278    HA   MET  40           HA       MET  40  12.572   8.063   3.065
  279    HB2  MET  40           HB2      MET  40   9.972   6.738   2.303
  280    HB3  MET  40           HB1      MET  40  11.176   7.144   1.096
  281    HG2  MET  40           HG2      MET  40  11.427   4.849   1.686
  282    HG3  MET  40           HG1      MET  40  12.817   5.745   2.286
  283    HE1  MET  40           HE1      MET  40  13.467   3.655   3.797
  284    HE2  MET  40           HE2      MET  40  12.058   2.774   3.203
  285    HE3  MET  40           HE3      MET  40  12.358   2.892   4.937
  286    H    GLY  41           HN       GLY  41   9.859   9.786   3.836
  287    HA2  GLY  41           HA2      GLY  41   9.293  11.977   3.186
  288    HA3  GLY  41           HA1      GLY  41  10.536  11.888   1.939
  289    H    ILE  42           HN       ILE  42   8.010   9.475   2.266
  290    HA   ILE  42           HA       ILE  42   7.109   9.869  -0.392
  291    HB   ILE  42           HB       ILE  42   5.958   8.244   1.865
  292   HG12  ILE  42          HG12      ILE  42   7.485   7.757  -0.659
  293   HG13  ILE  42          HG11      ILE  42   7.759   7.141   0.958
  294   HG21  ILE  42          HG21      ILE  42   4.038   9.059   0.647
  295   HG22  ILE  42          HG22      ILE  42   4.302   7.357   0.275
  296   HG23  ILE  42          HG23      ILE  42   4.773   8.594  -0.889
  297   HD11  ILE  42          HD11      ILE  42   5.750   6.241  -1.082
  298   HD12  ILE  42          HD12      ILE  42   5.641   5.759   0.603
  299   HD13  ILE  42          HD13      ILE  42   7.053   5.300  -0.356
  300    H    ASP  43           HN       ASP  43   6.121  11.661  -1.019
  301    HA   ASP  43           HA       ASP  43   4.580  13.287   0.804
  302    HB2  ASP  43           HB2      ASP  43   5.992  14.335  -0.920
  303    HB3  ASP  43           HB1      ASP  43   5.034  13.574  -2.186
  304    H    SER  44           HN       SER  44   2.392  14.072   0.175
  305    HA   SER  44           HA       SER  44   0.476  12.100   0.083
  306    HB2  SER  44           HB2      SER  44   0.001  14.359   0.799
  307    HB3  SER  44           HB1      SER  44   0.298  14.976  -0.825
  308    H    LEU  45           HN       LEU  45   1.856  13.967  -2.590
  309    HA   LEU  45           HA       LEU  45   0.217  13.026  -4.657
  310    HB2  LEU  45           HB2      LEU  45   1.903  14.934  -4.699
  311    HB3  LEU  45           HB1      LEU  45   3.157  13.726  -4.876
  312    HG   LEU  45           HG       LEU  45   2.419  14.924  -6.978
  313   HD11  LEU  45          HD11      LEU  45   2.536  12.929  -8.376
  314   HD12  LEU  45          HD12      LEU  45   2.239  11.919  -6.961
  315   HD13  LEU  45          HD13      LEU  45   3.715  12.876  -7.065
  316   HD21  LEU  45          HD21      LEU  45   0.026  14.915  -6.564
  317   HD22  LEU  45          HD22      LEU  45   0.001  13.152  -6.636
  318   HD23  LEU  45          HD23      LEU  45   0.396  14.091  -8.077
  319    H    SER  46           HN       SER  46   3.437  11.839  -3.658
  320    HA   SER  46           HA       SER  46   3.562   9.706  -5.478
  321    HB2  SER  46           HB2      SER  46   4.893   9.687  -2.774
  322    HB3  SER  46           HB1      SER  46   5.497   9.034  -4.297
  323    HG   SER  46           HG       SER  46   6.285  10.930  -4.783
  324    H    SER  47           HN       SER  47   2.410   9.810  -2.128
  325    HA   SER  47           HA       SER  47   2.071   7.002  -1.908
  326    HB2  SER  47           HB2      SER  47   0.753   7.559   0.127
  327    HB3  SER  47           HB1      SER  47   2.328   8.349   0.080
  328    HG   SER  47           HG       SER  47   1.374  10.260  -0.362
  329    H    MET  48           HN       MET  48   0.014   9.603  -3.020
  330    HA   MET  48           HA       MET  48  -2.421   8.106  -3.087
  331    HB2  MET  48           HB2      MET  48  -2.182  10.630  -3.162
  332    HB3  MET  48           HB1      MET  48  -1.697  10.454  -4.840
  333    HG2  MET  48           HG2      MET  48  -4.060  11.026  -4.656
  334    HG3  MET  48           HG1      MET  48  -3.837   9.431  -5.376
  335    HE1  MET  48           HE1      MET  48  -6.380   8.866  -4.951
  336    HE2  MET  48           HE2      MET  48  -6.630  10.453  -4.223
  337    HE3  MET  48           HE3      MET  48  -7.168   9.003  -3.377
  338    H    VAL  49           HN       VAL  49   0.235   8.658  -5.275
  339    HA   VAL  49           HA       VAL  49  -0.937   7.621  -7.631
  340    HB   VAL  49           HB       VAL  49   1.927   8.016  -6.726
  341   HG11  VAL  49          HG11      VAL  49   2.621   7.528  -9.038
  342   HG12  VAL  49          HG12      VAL  49   0.995   6.930  -9.377
  343   HG13  VAL  49          HG13      VAL  49   2.008   6.115  -8.182
  344   HG21  VAL  49          HG21      VAL  49   1.946   9.780  -8.388
  345   HG22  VAL  49          HG22      VAL  49   0.588  10.015  -7.287
  346   HG23  VAL  49          HG23      VAL  49   0.314   9.358  -8.903
  347    H    ILE  50           HN       ILE  50   0.871   6.181  -4.981
  348    HA   ILE  50           HA       ILE  50   1.216   3.623  -6.013
  349    HB   ILE  50           HB       ILE  50   0.741   4.391  -3.132
  350   HG12  ILE  50          HG12      ILE  50   3.350   4.050  -4.613
  351   HG13  ILE  50          HG11      ILE  50   2.582   5.607  -4.343
  352   HG21  ILE  50          HG21      ILE  50   1.987   2.351  -2.601
  353   HG22  ILE  50          HG22      ILE  50   2.088   1.963  -4.318
  354   HG23  ILE  50          HG23      ILE  50   0.521   1.985  -3.511
  355   HD11  ILE  50          HD11      ILE  50   4.389   5.117  -2.756
  356   HD12  ILE  50          HD12      ILE  50   3.466   3.733  -2.172
  357   HD13  ILE  50          HD13      ILE  50   2.831   5.363  -1.968
  358    H    GLY  51           HN       GLY  51  -1.411   4.869  -3.950
  359    HA2  GLY  51           HA2      GLY  51  -2.995   2.536  -4.022
  360    HA3  GLY  51           HA1      GLY  51  -3.574   4.148  -3.634
  361    H    SER  52           HN       SER  52  -2.719   5.249  -6.220
  362    HA   SER  52           HA       SER  52  -4.936   4.786  -7.828
  363    HB2  SER  52           HB2      SER  52  -2.386   6.193  -7.993
  364    HB3  SER  52           HB1      SER  52  -2.979   5.683  -9.559
  365    HG   SER  52           HG       SER  52  -4.974   6.760  -9.000
  366    H    ARG  53           HN       ARG  53  -1.609   3.522  -8.082
  367    HA   ARG  53           HA       ARG  53  -2.088   1.963 -10.381
  368    HB2  ARG  53           HB2      ARG  53   0.005   1.694  -8.234
  369    HB3  ARG  53           HB1      ARG  53  -0.037   0.685  -9.670
  370    HG2  ARG  53           HG2      ARG  53  -0.012   2.915 -10.952
  371    HG3  ARG  53           HG1      ARG  53   0.562   3.601  -9.429
  372    HD2  ARG  53           HD2      ARG  53   2.604   3.006 -10.224
  373    HD3  ARG  53           HD1      ARG  53   2.121   1.432  -9.593
  374    HE   ARG  53           HE       ARG  53   1.175   1.509 -12.197
  375   HH11  ARG  53          HH11      ARG  53   4.271   1.744 -10.593
  376   HH12  ARG  53          HH12      ARG  53   5.132   0.882 -11.825
  377   HH21  ARG  53          HH21      ARG  53   2.272   0.324 -13.806
  378   HH22  ARG  53          HH22      ARG  53   3.993   0.082 -13.675
  379    H    PHE  54           HN       PHE  54  -2.592   1.373  -6.983
  380    HA   PHE  54           HA       PHE  54  -2.951  -1.390  -6.971
  381    HB2  PHE  54           HB2      PHE  54  -4.405   0.816  -5.490
  382    HB3  PHE  54           HB1      PHE  54  -4.750  -0.883  -5.218
  383    HD1  PHE  54           HD1      PHE  54  -1.460  -1.160  -5.817
  384    HD2  PHE  54           HD2      PHE  54  -4.052   0.669  -2.984
  385    HE1  PHE  54           HE1      PHE  54   0.326  -1.243  -4.128
  386    HE2  PHE  54           HE2      PHE  54  -2.281   0.575  -1.293
  387    HZ   PHE  54           HZ       PHE  54  -0.085  -0.381  -1.860
  388    H    ARG  55           HN       ARG  55  -5.127   1.198  -8.000
  389    HA   ARG  55           HA       ARG  55  -7.279  -0.686  -8.450
  390    HB2  ARG  55           HB2      ARG  55  -7.190   2.296  -8.946
  391    HB3  ARG  55           HB1      ARG  55  -8.623   1.276  -9.029
  392    HG2  ARG  55           HG2      ARG  55  -8.081   0.691  -6.582
  393    HG3  ARG  55           HG1      ARG  55  -7.029   2.108  -6.635
  394    HD2  ARG  55           HD2      ARG  55  -9.108   2.851  -5.789
  395    HD3  ARG  55           HD1      ARG  55  -9.029   3.403  -7.463
  396    HE   ARG  55           HE       ARG  55 -10.459   0.925  -6.774
  397   HH11  ARG  55          HH11      ARG  55 -10.414   4.116  -8.180
  398   HH12  ARG  55          HH12      ARG  55 -12.035   4.022  -8.784
  399   HH21  ARG  55          HH21      ARG  55 -12.586   0.769  -7.558
  400   HH22  ARG  55          HH22      ARG  55 -13.285   2.118  -8.425
  401    H    GLU  56           HN       GLU  56  -4.954   1.140 -10.345
  402    HA   GLU  56           HA       GLU  56  -6.374   0.599 -12.812
  403    HB2  GLU  56           HB2      GLU  56  -3.705   1.949 -12.354
  404    HB3  GLU  56           HB1      GLU  56  -4.561   1.877 -13.889
  405    HG2  GLU  56           HG2      GLU  56  -5.478   3.277 -11.386
  406    HG3  GLU  56           HG1      GLU  56  -4.849   4.035 -12.847
  407    H    ASP  57           HN       ASP  57  -3.148  -0.130 -11.514
  408    HA   ASP  57           HA       ASP  57  -2.491  -1.855 -13.699
  409    HB2  ASP  57           HB2      ASP  57  -1.128  -1.331 -11.053
  410    HB3  ASP  57           HB1      ASP  57  -0.484  -2.426 -12.266
  411    H    LEU  58           HN       LEU  58  -3.177  -2.417 -10.258
  412    HA   LEU  58           HA       LEU  58  -3.078  -5.291 -10.682
  413    HB2  LEU  58           HB2      LEU  58  -3.111  -3.482  -8.317
  414    HB3  LEU  58           HB1      LEU  58  -3.760  -5.095  -8.105
  415    HG   LEU  58           HG       LEU  58  -1.611  -6.058  -8.833
  416   HD11  LEU  58          HD11      LEU  58   0.364  -4.670  -9.050
  417   HD12  LEU  58          HD12      LEU  58  -0.619  -3.215  -8.856
  418   HD13  LEU  58          HD13      LEU  58  -0.837  -4.242 -10.270
  419   HD21  LEU  58          HD21      LEU  58  -0.341  -5.475  -6.837
  420   HD22  LEU  58          HD22      LEU  58  -2.051  -5.697  -6.468
  421   HD23  LEU  58          HD23      LEU  58  -1.376  -4.070  -6.582
  422    H    GLY  59           HN       GLY  59  -5.479  -2.802 -10.096
  423    HA2  GLY  59           HA2      GLY  59  -7.771  -2.966 -10.545
  424    HA3  GLY  59           HA1      GLY  59  -7.572  -4.701 -10.763
  425    H    LEU  60           HN       LEU  60  -6.451  -2.931  -7.967
  426    HA   LEU  60           HA       LEU  60  -8.112  -4.562  -6.221
  427    HB2  LEU  60           HB2      LEU  60  -6.152  -2.398  -5.468
  428    HB3  LEU  60           HB1      LEU  60  -6.794  -3.649  -4.429
  429    HG   LEU  60           HG       LEU  60  -4.920  -4.122  -6.745
  430   HD11  LEU  60          HD11      LEU  60  -3.846  -2.901  -4.918
  431   HD12  LEU  60          HD12      LEU  60  -3.234  -4.551  -5.029
  432   HD13  LEU  60          HD13      LEU  60  -4.391  -4.124  -3.769
  433   HD21  LEU  60          HD21      LEU  60  -4.722  -6.379  -5.835
  434   HD22  LEU  60          HD22      LEU  60  -6.386  -6.021  -6.304
  435   HD23  LEU  60          HD23      LEU  60  -5.922  -5.990  -4.603
  436    H    ASP  61           HN       ASP  61  -9.602  -3.657  -4.711
  437    HA   ASP  61           HA       ASP  61 -10.335  -0.854  -5.250
  438    HB2  ASP  61           HB2      ASP  61 -12.019  -3.237  -4.659
  439    HB3  ASP  61           HB1      ASP  61 -12.527  -1.698  -3.962
  440    H    LEU  62           HN       LEU  62  -9.567   0.448  -3.785
  441    HA   LEU  62           HA       LEU  62  -9.583  -0.410  -0.965
  442    HB2  LEU  62           HB2      LEU  62  -7.373   0.582  -2.605
  443    HB3  LEU  62           HB1      LEU  62  -7.597   1.526  -1.148
  444    HG   LEU  62           HG       LEU  62  -5.951  -0.158  -0.705
  445   HD11  LEU  62          HD11      LEU  62  -8.575  -0.942   0.553
  446   HD12  LEU  62          HD12      LEU  62  -7.487   0.324   1.116
  447   HD13  LEU  62          HD13      LEU  62  -6.975  -1.363   1.161
  448   HD21  LEU  62          HD21      LEU  62  -7.979  -2.224  -1.552
  449   HD22  LEU  62          HD22      LEU  62  -6.354  -2.534  -0.944
  450   HD23  LEU  62          HD23      LEU  62  -6.575  -1.728  -2.496
  451    H    GLY  63           HN       GLY  63 -11.099   1.402  -3.067
  452    HA2  GLY  63           HA2      GLY  63 -12.615   3.184  -2.664
  453    HA3  GLY  63           HA1      GLY  63 -11.806   3.470  -1.132
  454    HA   PRO  64           HA       PRO  64 -10.177   6.454  -4.346
  455    HB2  PRO  64           HB2      PRO  64 -11.923   8.474  -4.333
  456    HB3  PRO  64           HB1      PRO  64 -12.224   7.004  -5.282
  457    HG2  PRO  64           HG2      PRO  64 -13.372   7.831  -2.659
  458    HG3  PRO  64           HG1      PRO  64 -14.164   7.019  -4.019
  459    HD2  PRO  64           HD2      PRO  64 -13.173   5.772  -1.716
  460    HD3  PRO  64           HD1      PRO  64 -13.571   4.962  -3.244
  461    H    GLU  65           HN       GLU  65 -10.921   6.352  -1.141
  462    HA   GLU  65           HA       GLU  65  -9.810   8.999  -0.513
  463    HB2  GLU  65           HB2      GLU  65 -11.368   7.097   1.251
  464    HB3  GLU  65           HB1      GLU  65 -10.836   8.715   1.693
  465    HG2  GLU  65           HG2      GLU  65 -12.291   9.703   0.063
  466    HG3  GLU  65           HG1      GLU  65 -12.741   8.114  -0.556
  467    H    PHE  66           HN       PHE  66  -8.494   6.249  -1.121
  468    HA   PHE  66           HA       PHE  66  -7.121   5.787   1.408
  469    HB2  PHE  66           HB2      PHE  66  -8.059   3.869   0.080
  470    HB3  PHE  66           HB1      PHE  66  -6.898   4.242  -1.187
  471    HD1  PHE  66           HD2      PHE  66  -7.252   3.111   2.293
  472    HD2  PHE  66           HD1      PHE  66  -4.653   3.505  -1.058
  473    HE1  PHE  66           HE2      PHE  66  -5.606   1.671   3.399
  474    HE2  PHE  66           HE1      PHE  66  -3.007   2.056   0.046
  475    HZ   PHE  66           HZ       PHE  66  -3.445   1.146   2.240
  476    H    SER  67           HN       SER  67  -5.422   6.995   1.789
  477    HA   SER  67           HA       SER  67  -3.426   7.356  -0.332
  478    HB2  SER  67           HB2      SER  67  -4.157   9.530   1.650
  479    HB3  SER  67           HB1      SER  67  -3.094   9.660   0.246
  480    HG   SER  67           HG       SER  67  -4.972   9.202  -1.059
  481    H    LEU  68           HN       LEU  68  -1.400   6.847   0.334
  482    HA   LEU  68           HA       LEU  68  -1.142   5.499   2.805
  483    HB2  LEU  68           HB2      LEU  68   1.025   6.336   0.888
  484    HB3  LEU  68           HB1      LEU  68   1.197   5.160   2.176
  485    HG   LEU  68           HG       LEU  68  -0.476   4.916  -0.320
  486   HD11  LEU  68          HD11      LEU  68   1.765   4.361  -0.791
  487   HD12  LEU  68          HD12      LEU  68   0.929   2.821  -0.536
  488   HD13  LEU  68          HD13      LEU  68   1.950   3.494   0.732
  489   HD21  LEU  68          HD21      LEU  68  -1.662   4.066   1.674
  490   HD22  LEU  68          HD22      LEU  68  -0.303   2.976   1.969
  491   HD23  LEU  68          HD23      LEU  68  -1.262   2.823   0.496
  492    H    PHE  69           HN       PHE  69   0.128   8.618   1.683
  493    HA   PHE  69           HA       PHE  69   1.650   9.181   3.995
  494    HB2  PHE  69           HB2      PHE  69   1.997  10.307   1.849
  495    HB3  PHE  69           HB1      PHE  69   0.402  11.042   1.946
  496    HD1  PHE  69           HD1      PHE  69   3.261  10.708   4.298
  497    HD2  PHE  69           HD2      PHE  69   0.552  13.300   2.296
  498    HE1  PHE  69           HE1      PHE  69   4.260  12.645   5.458
  499    HE2  PHE  69           HE2      PHE  69   1.533  15.245   3.449
  500    HZ   PHE  69           HZ       PHE  69   3.361  14.944   5.006
  501    H    ILE  70           HN       ILE  70  -1.640   8.796   3.739
  502    HA   ILE  70           HA       ILE  70  -2.166  10.770   5.867
  503    HB   ILE  70           HB       ILE  70  -4.102   9.787   3.740
  504   HG12  ILE  70          HG12      ILE  70  -3.007  12.541   4.369
  505   HG13  ILE  70          HG11      ILE  70  -2.550  11.548   2.993
  506   HG21  ILE  70          HG21      ILE  70  -4.654  11.621   6.070
  507   HG22  ILE  70          HG22      ILE  70  -5.226   9.960   5.906
  508   HG23  ILE  70          HG23      ILE  70  -5.777  11.198   4.777
  509   HD11  ILE  70          HD11      ILE  70  -4.783  11.713   2.081
  510   HD12  ILE  70          HD12      ILE  70  -4.139  13.326   2.392
  511   HD13  ILE  70          HD13      ILE  70  -5.319  12.618   3.496
  512    H    ASP  71           HN       ASP  71  -2.802   7.448   4.752
  513    HA   ASP  71           HA       ASP  71  -3.899   6.888   7.433
  514    HB2  ASP  71           HB2      ASP  71  -5.633   7.018   5.602
  515    HB3  ASP  71           HB1      ASP  71  -4.884   5.602   4.875
  516    H    CYS  72           HN       CYS  72  -1.233   6.330   5.741
  517    HA   CYS  72           HA       CYS  72  -0.853   3.689   6.898
  518    HB2  CYS  72           HB2      CYS  72  -0.442   4.189   3.940
  519    HB3  CYS  72           HB1      CYS  72   0.063   2.740   4.802
  520    HG   CYS  72           HG       CYS  72  -3.101   3.155   5.435
  521    H    THR  73           HN       THR  73   0.639   4.609   8.267
  522    HA   THR  73           HA       THR  73   2.670   6.396   7.231
  523    HB   THR  73           HB       THR  73   3.427   6.294   9.695
  524    HG1  THR  73           HG1      THR  73   2.048   5.298  11.105
  525   HG21  THR  73          HG21      THR  73   2.192   8.184   8.823
  526   HG22  THR  73          HG22      THR  73   1.508   7.746  10.391
  527   HG23  THR  73          HG23      THR  73   0.680   7.282   8.903
  528    H    THR  74           HN       THR  74   2.487   3.039   8.280
  529    HA   THR  74           HA       THR  74   5.347   2.776   7.658
  530    HB   THR  74           HB       THR  74   5.329   0.690   8.945
  531    HG1  THR  74           HG1      THR  74   3.424   0.158  10.143
  532   HG21  THR  74          HG21      THR  74   5.857   2.776  10.114
  533   HG22  THR  74          HG22      THR  74   5.031   1.637  11.179
  534   HG23  THR  74          HG23      THR  74   4.148   2.996  10.487
  535    H    VAL  75           HN       VAL  75   5.770   0.351   6.909
  536    HA   VAL  75           HA       VAL  75   4.397   0.155   4.380
  537    HB   VAL  75           HB       VAL  75   6.189  -2.053   5.141
  538   HG11  VAL  75          HG11      VAL  75   5.402  -1.726   2.864
  539   HG12  VAL  75          HG12      VAL  75   7.158  -1.580   2.955
  540   HG13  VAL  75          HG13      VAL  75   6.159  -0.134   2.822
  541   HG21  VAL  75          HG21      VAL  75   8.228  -0.644   4.870
  542   HG22  VAL  75          HG22      VAL  75   7.346  -0.386   6.375
  543   HG23  VAL  75          HG23      VAL  75   7.199   0.778   5.057
  544    H    ARG  76           HN       ARG  76   4.780  -1.843   7.298
  545    HA   ARG  76           HA       ARG  76   3.272  -4.048   6.505
  546    HB2  ARG  76           HB2      ARG  76   4.671  -3.919   8.555
  547    HB3  ARG  76           HB1      ARG  76   3.432  -2.916   9.300
  548    HG2  ARG  76           HG2      ARG  76   2.935  -5.019  10.123
  549    HG3  ARG  76           HG1      ARG  76   1.857  -4.889   8.729
  550    HD2  ARG  76           HD2      ARG  76   3.520  -6.125   7.376
  551    HD3  ARG  76           HD1      ARG  76   4.503  -6.330   8.828
  552    HE   ARG  76           HE       ARG  76   1.740  -7.323   8.808
  553   HH11  ARG  76          HH11      ARG  76   5.185  -7.987   8.939
  554   HH12  ARG  76          HH12      ARG  76   4.970  -9.654   9.368
  555   HH21  ARG  76          HH21      ARG  76   1.446  -9.484   9.341
  556   HH22  ARG  76          HH22      ARG  76   2.830 -10.516   9.604
  557    H    ALA  77           HN       ALA  77   2.298  -0.926   7.764
  558    HA   ALA  77           HA       ALA  77  -0.373  -1.390   8.366
  559    HB1  ALA  77           HB1      ALA  77  -0.708   0.992   7.992
  560    HB2  ALA  77           HB2      ALA  77   0.832   1.082   7.136
  561    HB3  ALA  77           HB3      ALA  77   0.801   0.703   8.858
  562    H    LEU  78           HN       LEU  78   1.225  -1.056   5.279
  563    HA   LEU  78           HA       LEU  78  -1.257  -0.946   3.791
  564    HB2  LEU  78           HB2      LEU  78   0.666   0.294   3.026
  565    HB3  LEU  78           HB1      LEU  78   1.652  -1.135   3.056
  566    HG   LEU  78           HG       LEU  78   0.785  -1.967   1.101
  567   HD11  LEU  78          HD11      LEU  78  -1.457   0.014   0.998
  568   HD12  LEU  78          HD12      LEU  78  -1.645  -1.514   1.859
  569   HD13  LEU  78          HD13      LEU  78  -1.288  -1.513   0.125
  570   HD21  LEU  78          HD21      LEU  78   0.738   1.033   0.867
  571   HD22  LEU  78          HD22      LEU  78   0.864  -0.078  -0.492
  572   HD23  LEU  78          HD23      LEU  78   2.154  -0.007   0.713
  573    H    LYS  79           HN       LYS  79   1.508  -3.056   4.175
  574    HA   LYS  79           HA       LYS  79   0.753  -5.132   2.485
  575    HB2  LYS  79           HB2      LYS  79   2.298  -5.423   5.043
  576    HB3  LYS  79           HB1      LYS  79   2.431  -6.469   3.621
  577    HG2  LYS  79           HG2      LYS  79   3.054  -3.968   2.588
  578    HG3  LYS  79           HG1      LYS  79   3.697  -3.884   4.218
  579    HD2  LYS  79           HD2      LYS  79   5.008  -5.962   3.798
  580    HD3  LYS  79           HD1      LYS  79   4.392  -5.967   2.140
  581    HE2  LYS  79           HE2      LYS  79   5.488  -3.959   1.620
  582    HE3  LYS  79           HE1      LYS  79   5.835  -3.613   3.323
  583    HZ1  LYS  79           HZ1      LYS  79   7.011  -5.819   1.683
  584    HZ2  LYS  79           HZ2      LYS  79   7.343  -5.550   3.321
  585    HZ3  LYS  79           HZ3      LYS  79   7.817  -4.411   2.169
  586    H    ASP  80           HN       ASP  80   0.484  -5.028   6.025
  587    HA   ASP  80           HA       ASP  80  -0.675  -7.606   6.207
  588    HB2  ASP  80           HB2      ASP  80   0.662  -6.319   7.961
  589    HB3  ASP  80           HB1      ASP  80  -0.831  -5.454   8.306
  590    H    PHE  81           HN       PHE  81  -1.923  -4.440   5.781
  591    HA   PHE  81           HA       PHE  81  -4.575  -4.824   6.693
  592    HB2  PHE  81           HB2      PHE  81  -3.516  -2.601   6.380
  593    HB3  PHE  81           HB1      PHE  81  -3.500  -2.868   4.640
  594    HD1  PHE  81           HD1      PHE  81  -5.881  -2.812   7.504
  595    HD2  PHE  81           HD2      PHE  81  -5.197  -1.989   3.386
  596    HE1  PHE  81           HE1      PHE  81  -8.116  -1.787   7.349
  597    HE2  PHE  81           HE2      PHE  81  -7.432  -0.969   3.215
  598    HZ   PHE  81           HZ       PHE  81  -8.891  -0.867   5.199
  599    H    MET  82           HN       MET  82  -2.903  -5.628   3.776
  600    HA   MET  82           HA       MET  82  -5.246  -5.865   2.123
  601    HB2  MET  82           HB2      MET  82  -2.562  -7.088   1.583
  602    HB3  MET  82           HB1      MET  82  -3.773  -6.571   0.418
  603    HG2  MET  82           HG2      MET  82  -3.357  -4.262   0.910
  604    HG3  MET  82           HG1      MET  82  -2.286  -4.704   2.241
  605    HE1  MET  82           HE1      MET  82  -2.362  -3.654  -1.461
  606    HE2  MET  82           HE2      MET  82  -2.920  -5.328  -1.517
  607    HE3  MET  82           HE3      MET  82  -1.364  -4.888  -2.233
  608    H    LEU  83           HN       LEU  83  -3.171  -8.035   3.959
  609    HA   LEU  83           HA       LEU  83  -4.614 -10.378   3.147
  610    HB2  LEU  83           HB2      LEU  83  -2.569  -9.933   5.334
  611    HB3  LEU  83           HB1      LEU  83  -3.271 -11.496   4.972
  612    HG   LEU  83           HG       LEU  83  -2.297 -11.253   2.633
  613   HD11  LEU  83          HD11      LEU  83  -1.925  -8.852   2.655
  614   HD12  LEU  83          HD12      LEU  83  -0.424  -9.729   2.354
  615   HD13  LEU  83          HD13      LEU  83  -0.739  -9.042   3.948
  616   HD21  LEU  83          HD21      LEU  83  -1.276 -12.717   4.310
  617   HD22  LEU  83          HD22      LEU  83  -0.356 -11.352   4.947
  618   HD23  LEU  83          HD23      LEU  83  -0.047 -11.940   3.312
  619    H    GLY  84           HN       GLY  84  -4.451  -8.380   6.070
  620    HA2  GLY  84           HA2      GLY  84  -6.919  -8.059   6.786
  621    HA3  GLY  84           HA1      GLY  84  -6.820  -9.786   7.079
  622    H    SER  85           HN       SER  85  -5.803  -6.628   8.127
  623    HA   SER  85           HA       SER  85  -4.340  -7.569  10.422
  624    HB2  SER  85           HB2      SER  85  -5.429  -4.827   9.756
  625    HB3  SER  85           HB1      SER  85  -4.330  -5.207  11.079
  626    HG   SER  85           HG       SER  85  -3.016  -6.171   9.209
  627    H    GLY  86           HN       GLY  86  -6.756  -8.810  10.434
  628    HA2  GLY  86           HA2      GLY  86  -7.854  -8.117  12.978
  629    HA3  GLY  86           HA1      GLY  86  -8.948  -7.703  11.661
  630    H    ASP  87           HN       ASP  87  -6.752 -10.423  12.296
  631    HA   ASP  87           HA       ASP  87  -8.605 -12.263  11.104
  632    HB2  ASP  87           HB2      ASP  87  -6.894 -13.972  11.611
  633    HB3  ASP  87           HB1      ASP  87  -6.214 -12.584  10.773
  634    H    ALA  88           HN       ALA  88  -7.442 -11.596  14.381
  635    HA   ALA  88           HA       ALA  88  -9.213 -13.616  15.495
  636    HB1  ALA  88           HB1      ALA  88  -6.987 -13.241  16.468
  637    HB2  ALA  88           HB2      ALA  88  -8.276 -12.967  17.640
  638    HB3  ALA  88           HB3      ALA  88  -7.462 -11.596  16.889
  639    H    GLY  89           HN       GLY  89  -8.912 -10.114  15.335
  640    HA2  GLY  89           HA2      GLY  89 -11.772  -9.823  15.565
  641    HA3  GLY  89           HA1      GLY  89 -10.880  -9.171  16.936
  642   H282  PNS  90          H28A      PNS  44  -2.164  15.577  -3.441
  643   H281  PNS  90          H28B      PNS  44  -2.139  13.833  -3.176
  644   H303  PNS  90          H30A      PNS  44  -2.627  13.225  -5.440
  645   H302  PNS  90          H30B      PNS  44  -2.451  14.936  -5.833
  646   H301  PNS  90          H30C      PNS  44  -3.888  14.054  -6.352
  647   H313  PNS  90          H31A      PNS  44  -5.571  13.285  -4.590
  648   H312  PNS  90          H31B      PNS  44  -5.256  13.672  -2.899
  649   H311  PNS  90          H31C      PNS  44  -4.248  12.492  -3.736
  650    H32  PNS  90          H32A      PNS  44  -5.268  15.995  -3.573
  651    H33  PNS  90          H33A      PNS  44  -3.689  17.416  -3.720
  652    H36  PNS  90          H36A      PNS  44  -4.814  17.526  -6.280
  653   H372  PNS  90          H37A      PNS  44  -6.172  16.039  -8.293
  654   H371  PNS  90          H37B      PNS  44  -7.261  17.149  -7.464
  655   H382  PNS  90          H38A      PNS  44  -4.691  17.945  -8.820
  656   H381  PNS  90          H38B      PNS  44  -6.291  18.078  -9.542
  657    H41  PNS  90          H41A      PNS  44  -4.928  20.262  -9.537
  658   H422  PNS  90          H42A      PNS  44  -6.417  22.106  -7.939
  659   H421  PNS  90          H42B      PNS  44  -4.726  22.009  -7.449
  660   H431  PNS  90          H43A      PNS  44  -4.045  22.552  -9.738
  661   H432  PNS  90          H43B      PNS  44  -5.052  23.813  -9.033
  662    H44  PNS  90           H1       PNS  44  -7.341  23.149 -10.428
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1 -16.717 -10.903  14.816
    2    H2   ALA   1           HT2      ALA   1 -17.680 -11.826  13.775
    3    H3   ALA   1           HT3      ALA   1 -17.874 -11.969  15.446
    4    HA   ALA   1           HA       ALA   1 -19.638 -10.661  14.398
    5    HB1  ALA   1           HB1      ALA   1 -19.568  -8.820  15.991
    6    HB2  ALA   1           HB2      ALA   1 -17.850  -9.107  16.268
    7    HB3  ALA   1           HB3      ALA   1 -19.036 -10.320  16.750
    8    H    MET   2           HN       MET   2 -17.334  -8.076  14.910
    9    HA   MET   2           HA       MET   2 -17.935  -6.976  12.322
   10    HB2  MET   2           HB2      MET   2 -15.981  -6.035  14.432
   11    HB3  MET   2           HB1      MET   2 -16.407  -5.141  12.979
   12    HG2  MET   2           HG2      MET   2 -17.697  -4.150  14.619
   13    HG3  MET   2           HG1      MET   2 -18.815  -5.271  13.848
   14    HE1  MET   2           HE1      MET   2 -15.924  -5.914  16.510
   15    HE2  MET   2           HE2      MET   2 -16.874  -5.829  17.994
   16    HE3  MET   2           HE3      MET   2 -16.703  -4.403  16.970
   17    H    ALA   3           HN       ALA   3 -16.976  -7.997  10.581
   18    HA   ALA   3           HA       ALA   3 -14.062  -8.326  10.739
   19    HB1  ALA   3           HB1      ALA   3 -14.236 -10.142   9.131
   20    HB2  ALA   3           HB2      ALA   3 -15.993  -9.987   9.125
   21    HB3  ALA   3           HB3      ALA   3 -15.158 -10.508  10.589
   22    H    LYS   4           HN       LYS   4 -12.992  -7.135   9.386
   23    HA   LYS   4           HA       LYS   4 -14.281  -6.009   7.032
   24    HB2  LYS   4           HB2      LYS   4 -14.819  -4.495   8.903
   25    HB3  LYS   4           HB1      LYS   4 -13.103  -4.305   9.227
   26    HG2  LYS   4           HG2      LYS   4 -12.770  -3.157   7.151
   27    HG3  LYS   4           HG1      LYS   4 -14.426  -3.513   6.641
   28    HD2  LYS   4           HD2      LYS   4 -15.321  -2.144   8.404
   29    HD3  LYS   4           HD1      LYS   4 -13.716  -1.898   9.087
   30    HE2  LYS   4           HE2      LYS   4 -13.043  -0.660   7.103
   31    HE3  LYS   4           HE1      LYS   4 -14.619  -0.951   6.372
   32    HZ1  LYS   4           HZ1      LYS   4 -15.675   0.410   7.940
   33    HZ2  LYS   4           HZ2      LYS   4 -14.286   1.273   7.495
   34    HZ3  LYS   4           HZ3      LYS   4 -14.331   0.435   8.967
   35    H    GLY   5           HN       GLY   5 -12.945  -6.299   5.433
   36    HA2  GLY   5           HA2      GLY   5 -10.351  -5.217   5.326
   37    HA3  GLY   5           HA1      GLY   5 -10.226  -6.944   5.634
   38    H    VAL   6           HN       VAL   6  -9.226  -5.751   3.300
   39    HA   VAL   6           HA       VAL   6 -11.118  -6.013   1.164
   40    HB   VAL   6           HB       VAL   6  -8.104  -5.952   1.021
   41   HG11  VAL   6          HG11      VAL   6  -8.465  -5.212  -1.300
   42   HG12  VAL   6          HG12      VAL   6 -10.198  -5.472  -1.097
   43   HG13  VAL   6          HG13      VAL   6  -9.083  -6.837  -1.009
   44   HG21  VAL   6          HG21      VAL   6  -8.965  -3.955   2.112
   45   HG22  VAL   6          HG22      VAL   6 -10.100  -3.704   0.784
   46   HG23  VAL   6          HG23      VAL   6  -8.365  -3.571   0.498
   47    H    GLY   7           HN       GLY   7  -8.138  -7.859   1.833
   48    HA2  GLY   7           HA2      GLY   7  -8.101 -10.237   2.054
   49    HA3  GLY   7           HA1      GLY   7  -9.606 -10.313   1.152
   50    H    VAL   8           HN       VAL   8  -6.154 -10.089   0.951
   51    HA   VAL   8           HA       VAL   8  -6.345 -10.388  -1.967
   52    HB   VAL   8           HB       VAL   8  -4.341  -9.186  -2.310
   53   HG11  VAL   8          HG11      VAL   8  -6.169  -7.696  -1.902
   54   HG12  VAL   8          HG12      VAL   8  -4.713  -7.012  -1.180
   55   HG13  VAL   8          HG13      VAL   8  -5.921  -7.790  -0.160
   56   HG21  VAL   8          HG21      VAL   8  -3.880  -9.254   0.672
   57   HG22  VAL   8          HG22      VAL   8  -2.876  -8.400  -0.502
   58   HG23  VAL   8          HG23      VAL   8  -2.990 -10.158  -0.553
   59    H    SER   9           HN       SER   9  -4.742 -11.740  -2.952
   60    HA   SER   9           HA       SER   9  -3.964 -13.986  -1.332
   61    HB2  SER   9           HB2      SER   9  -3.047 -14.821  -3.540
   62    HB3  SER   9           HB1      SER   9  -4.774 -14.449  -3.556
   63    HG   SER   9           HG       SER   9  -4.118 -13.374  -5.298
   64    H    ASN  10           HN       ASN  10  -1.647 -14.840  -1.705
   65    HA   ASN  10           HA       ASN  10   0.246 -12.922  -0.840
   66    HB2  ASN  10           HB2      ASN  10   1.889 -14.819  -1.302
   67    HB3  ASN  10           HB1      ASN  10   0.623 -15.135  -0.126
   68   HD21  ASN  10          HD21      ASN  10   0.607 -17.308  -0.332
   69   HD22  ASN  10          HD22      ASN  10   0.107 -18.140  -1.771
   70    H    GLU  11           HN       GLU  11  -0.908 -13.853  -3.886
   71    HA   GLU  11           HA       GLU  11   1.243 -13.034  -5.535
   72    HB2  GLU  11           HB2      GLU  11  -0.482 -14.364  -6.519
   73    HB3  GLU  11           HB1      GLU  11  -1.743 -13.297  -5.921
   74    HG2  GLU  11           HG2      GLU  11  -1.578 -12.952  -8.260
   75    HG3  GLU  11           HG1      GLU  11  -0.812 -11.549  -7.510
   76    H    LYS  12           HN       LYS  12  -1.649 -11.391  -4.322
   77    HA   LYS  12           HA       LYS  12  -1.016  -8.861  -5.439
   78    HB2  LYS  12           HB2      LYS  12  -3.004  -9.925  -3.590
   79    HB3  LYS  12           HB1      LYS  12  -2.493  -8.294  -3.178
   80    HG2  LYS  12           HG2      LYS  12  -4.250  -7.860  -4.590
   81    HG3  LYS  12           HG1      LYS  12  -2.900  -7.841  -5.724
   82    HD2  LYS  12           HD2      LYS  12  -3.385 -10.225  -6.251
   83    HD3  LYS  12           HD1      LYS  12  -4.807 -10.114  -5.206
   84    HE2  LYS  12           HE2      LYS  12  -5.621  -9.771  -7.375
   85    HE3  LYS  12           HE1      LYS  12  -5.536  -8.170  -6.651
   86    HZ1  LYS  12           HZ1      LYS  12  -4.669  -7.977  -8.815
   87    HZ2  LYS  12           HZ2      LYS  12  -3.701  -9.361  -8.649
   88    HZ3  LYS  12           HZ3      LYS  12  -3.321  -7.952  -7.790
   89    H    LEU  13           HN       LEU  13  -0.224 -10.482  -2.452
   90    HA   LEU  13           HA       LEU  13   0.937  -8.252  -1.139
   91    HB2  LEU  13           HB2      LEU  13   0.218 -10.509  -0.155
   92    HB3  LEU  13           HB1      LEU  13   1.767 -11.119  -0.699
   93    HG   LEU  13           HG       LEU  13   2.850  -9.320   0.676
   94   HD11  LEU  13          HD11      LEU  13   0.946  -7.809   0.817
   95   HD12  LEU  13          HD12      LEU  13   1.513  -8.268   2.422
   96   HD13  LEU  13          HD13      LEU  13   0.058  -9.010   1.755
   97   HD21  LEU  13          HD21      LEU  13   2.506 -10.477   2.810
   98   HD22  LEU  13          HD22      LEU  13   2.732 -11.603   1.472
   99   HD23  LEU  13          HD23      LEU  13   1.116 -11.314   2.117
  100    H    ASP  14           HN       ASP  14   2.149 -10.480  -3.559
  101    HA   ASP  14           HA       ASP  14   4.894  -9.621  -3.214
  102    HB2  ASP  14           HB2      ASP  14   3.660 -11.841  -4.349
  103    HB3  ASP  14           HB1      ASP  14   4.249 -10.959  -5.742
  104    H    ALA  15           HN       ALA  15   2.103  -8.761  -5.090
  105    HA   ALA  15           HA       ALA  15   3.605  -7.327  -7.091
  106    HB1  ALA  15           HB1      ALA  15   0.633  -7.319  -6.591
  107    HB2  ALA  15           HB2      ALA  15   1.477  -8.481  -7.610
  108    HB3  ALA  15           HB3      ALA  15   1.456  -6.769  -8.051
  109    H    VAL  16           HN       VAL  16   1.923  -6.572  -4.114
  110    HA   VAL  16           HA       VAL  16   1.728  -3.792  -4.523
  111    HB   VAL  16           HB       VAL  16   0.414  -4.748  -2.766
  112   HG11  VAL  16          HG11      VAL  16   1.362  -5.713  -0.745
  113   HG12  VAL  16          HG12      VAL  16   2.996  -5.445  -1.355
  114   HG13  VAL  16          HG13      VAL  16   1.933  -6.597  -2.161
  115   HG21  VAL  16          HG21      VAL  16   0.990  -3.248  -0.897
  116   HG22  VAL  16          HG22      VAL  16   1.101  -2.432  -2.457
  117   HG23  VAL  16          HG23      VAL  16   2.571  -2.958  -1.631
  118    H    MET  17           HN       MET  17   4.262  -5.795  -3.127
  119    HA   MET  17           HA       MET  17   5.744  -3.686  -2.000
  120    HB2  MET  17           HB2      MET  17   6.818  -6.358  -2.936
  121    HB3  MET  17           HB1      MET  17   7.530  -5.293  -1.741
  122    HG2  MET  17           HG2      MET  17   5.540  -5.641  -0.311
  123    HG3  MET  17           HG1      MET  17   4.971  -6.824  -1.484
  124    HE1  MET  17           HE1      MET  17   4.835  -8.879   0.128
  125    HE2  MET  17           HE2      MET  17   5.150  -7.738   1.436
  126    HE3  MET  17           HE3      MET  17   6.066  -9.243   1.338
  127    H    ARG  18           HN       ARG  18   5.593  -4.983  -5.243
  128    HA   ARG  18           HA       ARG  18   8.018  -3.658  -6.031
  129    HB2  ARG  18           HB2      ARG  18   7.662  -4.520  -8.226
  130    HB3  ARG  18           HB1      ARG  18   7.406  -5.798  -7.051
  131    HG2  ARG  18           HG2      ARG  18   5.035  -5.613  -7.299
  132    HG3  ARG  18           HG1      ARG  18   5.218  -4.221  -8.372
  133    HD2  ARG  18           HD2      ARG  18   6.193  -7.028  -8.890
  134    HD3  ARG  18           HD1      ARG  18   4.816  -6.242  -9.668
  135    HE   ARG  18           HE       ARG  18   7.006  -4.609 -10.114
  136   HH11  ARG  18          HH11      ARG  18   6.093  -7.909 -10.892
  137   HH12  ARG  18          HH12      ARG  18   7.037  -7.960 -12.348
  138   HH21  ARG  18          HH21      ARG  18   8.259  -4.677 -12.006
  139   HH22  ARG  18          HH22      ARG  18   8.276  -6.119 -12.979
  140    H    VAL  19           HN       VAL  19   4.649  -2.863  -5.929
  141    HA   VAL  19           HA       VAL  19   4.970  -0.628  -7.734
  142    HB   VAL  19           HB       VAL  19   2.736  -1.392  -5.833
  143   HG11  VAL  19          HG11      VAL  19   2.917   0.929  -7.741
  144   HG12  VAL  19          HG12      VAL  19   2.739   1.007  -5.991
  145   HG13  VAL  19          HG13      VAL  19   1.424   0.381  -6.987
  146   HG21  VAL  19          HG21      VAL  19   2.821  -1.359  -8.846
  147   HG22  VAL  19          HG22      VAL  19   1.548  -2.017  -7.818
  148   HG23  VAL  19          HG23      VAL  19   3.134  -2.790  -7.865
  149    H    VAL  20           HN       VAL  20   5.262  -1.373  -4.403
  150    HA   VAL  20           HA       VAL  20   5.504   1.330  -3.483
  151    HB   VAL  20           HB       VAL  20   6.055  -1.376  -2.247
  152   HG11  VAL  20          HG11      VAL  20   6.531   1.302  -0.924
  153   HG12  VAL  20          HG12      VAL  20   7.790   0.168  -1.412
  154   HG13  VAL  20          HG13      VAL  20   6.641  -0.281  -0.152
  155   HG21  VAL  20          HG21      VAL  20   3.722  -0.650  -2.395
  156   HG22  VAL  20          HG22      VAL  20   4.130   0.859  -1.577
  157   HG23  VAL  20          HG23      VAL  20   4.262  -0.672  -0.715
  158    H    SER  21           HN       SER  21   7.720  -1.195  -4.598
  159    HA   SER  21           HA       SER  21  10.114   0.016  -3.738
  160    HB2  SER  21           HB2      SER  21  11.204  -1.419  -5.455
  161    HB3  SER  21           HB1      SER  21  10.063  -2.343  -4.477
  162    HG   SER  21           HG       SER  21   9.872  -1.496  -7.161
  163    H    GLU  22           HN       GLU  22   8.466   0.098  -6.855
  164    HA   GLU  22           HA       GLU  22  10.230   1.748  -8.233
  165    HB2  GLU  22           HB2      GLU  22   7.221   1.603  -8.573
  166    HB3  GLU  22           HB1      GLU  22   8.374   2.182  -9.773
  167    HG2  GLU  22           HG2      GLU  22   7.928  -0.615  -8.796
  168    HG3  GLU  22           HG1      GLU  22   7.800   0.013 -10.439
  169    H    GLU  23           HN       GLU  23   7.300   2.659  -6.453
  170    HA   GLU  23           HA       GLU  23   7.570   5.419  -7.065
  171    HB2  GLU  23           HB2      GLU  23   5.852   3.940  -5.061
  172    HB3  GLU  23           HB1      GLU  23   5.678   5.654  -5.421
  173    HG2  GLU  23           HG2      GLU  23   5.439   3.447  -7.449
  174    HG3  GLU  23           HG1      GLU  23   4.075   4.174  -6.609
  175    H    SER  24           HN       SER  24   8.243   3.533  -4.102
  176    HA   SER  24           HA       SER  24   8.944   5.853  -2.563
  177    HB2  SER  24           HB2      SER  24   9.598   2.958  -2.004
  178    HB3  SER  24           HB1      SER  24   9.589   4.283  -0.842
  179    HG   SER  24           HG       SER  24   7.441   2.955  -2.059
  180    H    GLY  25           HN       GLY  25  10.771   3.426  -4.376
  181    HA2  GLY  25           HA2      GLY  25  12.892   4.045  -5.377
  182    HA3  GLY  25           HA1      GLY  25  13.154   5.144  -4.029
  183    H    ILE  26           HN       ILE  26  11.897   2.493  -2.635
  184    HA   ILE  26           HA       ILE  26  14.533   1.467  -1.913
  185    HB   ILE  26           HB       ILE  26  11.941   0.503  -0.713
  186   HG12  ILE  26          HG12      ILE  26  13.512   2.876   0.346
  187   HG13  ILE  26          HG11      ILE  26  12.062   3.042  -0.641
  188   HG21  ILE  26          HG21      ILE  26  13.373   0.104   1.254
  189   HG22  ILE  26          HG22      ILE  26  14.757   0.724   0.350
  190   HG23  ILE  26          HG23      ILE  26  13.946  -0.749  -0.181
  191   HD11  ILE  26          HD11      ILE  26  11.561   3.286   1.723
  192   HD12  ILE  26          HD12      ILE  26  12.249   1.695   2.048
  193   HD13  ILE  26          HD13      ILE  26  10.783   1.840   1.077
  194    H    ALA  27           HN       ALA  27  15.296  -0.323  -2.824
  195    HA   ALA  27           HA       ALA  27  14.062  -1.784  -4.831
  196    HB1  ALA  27           HB1      ALA  27  16.241  -2.719  -2.965
  197    HB2  ALA  27           HB2      ALA  27  16.486  -1.732  -4.404
  198    HB3  ALA  27           HB3      ALA  27  15.879  -3.380  -4.560
  199    H    LEU  28           HN       LEU  28  13.020  -3.735  -4.948
  200    HA   LEU  28           HA       LEU  28  11.206  -4.467  -2.970
  201    HB2  LEU  28           HB2      LEU  28  10.918  -5.095  -5.280
  202    HB3  LEU  28           HB1      LEU  28  12.387  -6.043  -5.260
  203    HG   LEU  28           HG       LEU  28  11.274  -7.608  -3.645
  204   HD11  LEU  28          HD11      LEU  28   8.894  -5.881  -4.279
  205   HD12  LEU  28          HD12      LEU  28   9.553  -6.274  -2.689
  206   HD13  LEU  28          HD13      LEU  28   8.758  -7.523  -3.652
  207   HD21  LEU  28          HD21      LEU  28  11.442  -8.140  -5.994
  208   HD22  LEU  28          HD22      LEU  28   9.995  -7.193  -6.336
  209   HD23  LEU  28          HD23      LEU  28   9.872  -8.664  -5.375
  210    H    GLU  29           HN       GLU  29  14.473  -5.624  -3.593
  211    HA   GLU  29           HA       GLU  29  14.375  -7.775  -1.716
  212    HB2  GLU  29           HB2      GLU  29  16.815  -6.399  -2.833
  213    HB3  GLU  29           HB1      GLU  29  16.732  -7.996  -2.098
  214    HG2  GLU  29           HG2      GLU  29  15.297  -7.203  -4.610
  215    HG3  GLU  29           HG1      GLU  29  16.840  -8.067  -4.561
  216    H    GLU  30           HN       GLU  30  14.548  -4.469  -1.336
  217    HA   GLU  30           HA       GLU  30  15.901  -4.730   1.274
  218    HB2  GLU  30           HB2      GLU  30  15.641  -2.220  -0.389
  219    HB3  GLU  30           HB1      GLU  30  16.604  -2.436   1.072
  220    HG2  GLU  30           HG2      GLU  30  17.937  -4.149  -0.244
  221    HG3  GLU  30           HG1      GLU  30  17.105  -3.530  -1.670
  222    H    LEU  31           HN       LEU  31  12.972  -4.573  -0.059
  223    HA   LEU  31           HA       LEU  31  11.814  -2.447   1.469
  224    HB2  LEU  31           HB2      LEU  31  10.996  -3.978  -0.699
  225    HB3  LEU  31           HB1      LEU  31   9.969  -4.568   0.599
  226    HG   LEU  31           HG       LEU  31  10.045  -1.893  -0.705
  227   HD11  LEU  31          HD11      LEU  31   7.618  -2.136  -0.515
  228   HD12  LEU  31          HD12      LEU  31   7.843  -3.653   0.354
  229   HD13  LEU  31          HD13      LEU  31   8.357  -3.518  -1.326
  230   HD21  LEU  31          HD21      LEU  31  10.509  -1.320   1.605
  231   HD22  LEU  31          HD22      LEU  31   9.167  -2.327   2.149
  232   HD23  LEU  31          HD23      LEU  31   8.852  -0.878   1.191
  233    H    THR  32           HN       THR  32  12.169  -2.736   3.595
  234    HA   THR  32           HA       THR  32  11.299  -5.266   4.800
  235    HB   THR  32           HB       THR  32  12.616  -4.620   6.760
  236    HG1  THR  32           HG1      THR  32  13.989  -2.534   5.752
  237   HG21  THR  32          HG21      THR  32  14.908  -4.558   5.731
  238   HG22  THR  32          HG22      THR  32  14.142  -4.373   4.150
  239   HG23  THR  32          HG23      THR  32  13.879  -5.839   5.098
  240    H    ASP  33           HN       ASP  33  10.017  -5.120   6.792
  241    HA   ASP  33           HA       ASP  33   7.963  -3.141   6.446
  242    HB2  ASP  33           HB2      ASP  33   8.275  -5.445   8.355
  243    HB3  ASP  33           HB1      ASP  33   6.927  -4.318   8.456
  244    H    ASP  34           HN       ASP  34  10.845  -3.083   7.954
  245    HA   ASP  34           HA       ASP  34  10.106  -1.424  10.205
  246    HB2  ASP  34           HB2      ASP  34  12.747  -2.299   9.045
  247    HB3  ASP  34           HB1      ASP  34  12.636  -1.137  10.367
  248    H    SER  35           HN       SER  35  10.397  -0.990   6.934
  249    HA   SER  35           HA       SER  35  11.495   1.694   6.981
  250    HB2  SER  35           HB2      SER  35  10.053   0.211   4.767
  251    HB3  SER  35           HB1      SER  35  10.937   1.725   4.582
  252    HG   SER  35           HG       SER  35  12.167  -0.602   5.619
  253    H    ASN  36           HN       ASN  36  10.349   3.589   6.473
  254    HA   ASN  36           HA       ASN  36   7.498   3.440   7.212
  255    HB2  ASN  36           HB2      ASN  36   9.060   4.219   9.060
  256    HB3  ASN  36           HB1      ASN  36   9.443   5.594   8.049
  257   HD21  ASN  36          HD21      ASN  36   7.026   4.185  10.146
  258   HD22  ASN  36          HD22      ASN  36   5.971   5.553  10.141
  259    H    PHE  37           HN       PHE  37   6.239   4.347   5.708
  260    HA   PHE  37           HA       PHE  37   7.200   5.425   3.321
  261    HB2  PHE  37           HB2      PHE  37   4.512   5.416   4.653
  262    HB3  PHE  37           HB1      PHE  37   4.761   6.350   3.177
  263    HD1  PHE  37           HD1      PHE  37   5.701   5.104   1.131
  264    HD2  PHE  37           HD2      PHE  37   4.130   3.153   4.567
  265    HE1  PHE  37           HE1      PHE  37   5.349   3.057  -0.197
  266    HE2  PHE  37           HE2      PHE  37   3.777   1.120   3.260
  267    HZ   PHE  37           HZ       PHE  37   4.583   1.078   0.797
  268    H    ALA  38           HN       ALA  38   5.876   7.101   6.174
  269    HA   ALA  38           HA       ALA  38   6.175   9.698   5.046
  270    HB1  ALA  38           HB1      ALA  38   4.552   9.281   6.780
  271    HB2  ALA  38           HB2      ALA  38   5.714  10.492   7.327
  272    HB3  ALA  38           HB3      ALA  38   5.829   8.830   7.906
  273    H    ASP  39           HN       ASP  39   8.247   7.602   6.943
  274    HA   ASP  39           HA       ASP  39  10.151   9.602   7.657
  275    HB2  ASP  39           HB2      ASP  39   9.945   7.461   8.874
  276    HB3  ASP  39           HB1      ASP  39  10.517   6.606   7.447
  277    H    MET  40           HN       MET  40   9.675   7.539   4.929
  278    HA   MET  40           HA       MET  40  12.318   7.973   3.863
  279    HB2  MET  40           HB2      MET  40   9.892   6.515   2.885
  280    HB3  MET  40           HB1      MET  40  11.251   6.823   1.808
  281    HG2  MET  40           HG2      MET  40  11.591   5.527   4.483
  282    HG3  MET  40           HG1      MET  40  11.233   4.600   3.026
  283    HE1  MET  40           HE1      MET  40  13.809   4.304   5.023
  284    HE2  MET  40           HE2      MET  40  15.075   3.982   3.839
  285    HE3  MET  40           HE3      MET  40  13.496   3.213   3.673
  286    H    GLY  41           HN       GLY  41   9.282   9.572   3.690
  287    HA2  GLY  41           HA2      GLY  41   9.247  11.865   2.900
  288    HA3  GLY  41           HA1      GLY  41  10.480  11.432   1.722
  289    H    ILE  42           HN       ILE  42   7.665   9.453   2.316
  290    HA   ILE  42           HA       ILE  42   6.799   9.736  -0.410
  291    HB   ILE  42           HB       ILE  42   5.602   8.259   1.945
  292   HG12  ILE  42          HG12      ILE  42   7.798   7.495   1.047
  293   HG13  ILE  42          HG11      ILE  42   6.515   6.290   0.921
  294   HG21  ILE  42          HG21      ILE  42   4.721   8.315  -0.929
  295   HG22  ILE  42          HG22      ILE  42   3.785   8.779   0.496
  296   HG23  ILE  42          HG23      ILE  42   4.220   7.088   0.236
  297   HD11  ILE  42          HD11      ILE  42   7.542   8.043  -1.302
  298   HD12  ILE  42          HD12      ILE  42   6.245   6.856  -1.446
  299   HD13  ILE  42          HD13      ILE  42   7.886   6.328  -1.074
  300    H    ASP  43           HN       ASP  43   5.855  11.605  -0.971
  301    HA   ASP  43           HA       ASP  43   4.180  13.124   0.828
  302    HB2  ASP  43           HB2      ASP  43   4.735  13.394  -2.139
  303    HB3  ASP  43           HB1      ASP  43   3.698  14.493  -1.245
  304    H    SER  44           HN       SER  44   1.934  13.834  -0.115
  305    HA   SER  44           HA       SER  44   0.366  11.468  -0.346
  306    HB2  SER  44           HB2      SER  44  -1.563  12.941  -0.530
  307    HB3  SER  44           HB1      SER  44  -0.496  13.529   0.743
  308    H    LEU  45           HN       LEU  45   1.910  13.591  -2.566
  309    HA   LEU  45           HA       LEU  45   0.625  13.024  -4.966
  310    HB2  LEU  45           HB2      LEU  45   2.549  14.605  -4.640
  311    HB3  LEU  45           HB1      LEU  45   3.616  13.223  -4.463
  312    HG   LEU  45           HG       LEU  45   3.624  14.444  -6.693
  313   HD11  LEU  45          HD11      LEU  45   3.122  11.473  -6.700
  314   HD12  LEU  45          HD12      LEU  45   4.669  12.268  -6.405
  315   HD13  LEU  45          HD13      LEU  45   3.899  12.393  -7.988
  316   HD21  LEU  45          HD21      LEU  45   1.202  14.671  -6.931
  317   HD22  LEU  45          HD22      LEU  45   1.053  12.918  -7.053
  318   HD23  LEU  45          HD23      LEU  45   1.915  13.819  -8.301
  319    H    SER  46           HN       SER  46   3.456  11.299  -3.626
  320    HA   SER  46           HA       SER  46   3.274   9.143  -5.418
  321    HB2  SER  46           HB2      SER  46   4.518   9.045  -2.665
  322    HB3  SER  46           HB1      SER  46   4.966   8.102  -4.089
  323    HG   SER  46           HG       SER  46   6.162   9.700  -4.749
  324    H    SER  47           HN       SER  47   2.016   9.634  -2.168
  325    HA   SER  47           HA       SER  47   1.111   7.052  -1.637
  326    HB2  SER  47           HB2      SER  47  -0.075   9.693  -0.768
  327    HB3  SER  47           HB1      SER  47  -0.417   8.131  -0.027
  328    HG   SER  47           HG       SER  47   1.981   9.622  -0.020
  329    H    MET  48           HN       MET  48  -0.457   9.718  -3.348
  330    HA   MET  48           HA       MET  48  -2.968   8.383  -3.655
  331    HB2  MET  48           HB2      MET  48  -2.536  10.896  -3.795
  332    HB3  MET  48           HB1      MET  48  -1.883  10.597  -5.397
  333    HG2  MET  48           HG2      MET  48  -4.181  11.354  -5.549
  334    HG3  MET  48           HG1      MET  48  -4.044   9.687  -6.108
  335    HE1  MET  48           HE1      MET  48  -5.260  12.061  -3.206
  336    HE2  MET  48           HE2      MET  48  -4.047  11.049  -2.421
  337    HE3  MET  48           HE3      MET  48  -5.747  10.886  -1.984
  338    H    VAL  49           HN       VAL  49  -0.085   8.804  -5.594
  339    HA   VAL  49           HA       VAL  49  -1.048   7.620  -7.963
  340    HB   VAL  49           HB       VAL  49   1.775   7.938  -6.893
  341   HG11  VAL  49          HG11      VAL  49   1.520   6.022  -8.506
  342   HG12  VAL  49          HG12      VAL  49   2.645   7.282  -8.998
  343   HG13  VAL  49          HG13      VAL  49   1.042   7.204  -9.723
  344   HG21  VAL  49          HG21      VAL  49   1.934   9.698  -8.632
  345   HG22  VAL  49          HG22      VAL  49   0.694  10.055  -7.434
  346   HG23  VAL  49          HG23      VAL  49   0.233   9.446  -9.023
  347    H    ILE  50           HN       ILE  50   0.918   6.213  -5.296
  348    HA   ILE  50           HA       ILE  50   1.050   3.598  -6.185
  349    HB   ILE  50           HB       ILE  50   0.773   4.571  -3.335
  350   HG12  ILE  50          HG12      ILE  50   3.220   3.842  -4.962
  351   HG13  ILE  50          HG11      ILE  50   2.716   5.482  -4.566
  352   HG21  ILE  50          HG21      ILE  50   1.766   2.418  -2.697
  353   HG22  ILE  50          HG22      ILE  50   1.709   1.901  -4.383
  354   HG23  ILE  50          HG23      ILE  50   0.212   2.206  -3.504
  355   HD11  ILE  50          HD11      ILE  50   4.523   4.730  -3.126
  356   HD12  ILE  50          HD12      ILE  50   3.541   3.366  -2.586
  357   HD13  ILE  50          HD13      ILE  50   3.050   5.016  -2.202
  358    H    GLY  51           HN       GLY  51  -1.412   5.006  -4.009
  359    HA2  GLY  51           HA2      GLY  51  -3.049   2.737  -3.822
  360    HA3  GLY  51           HA1      GLY  51  -3.592   4.394  -3.591
  361    H    SER  52           HN       SER  52  -3.012   5.343  -6.212
  362    HA   SER  52           HA       SER  52  -5.265   4.496  -7.670
  363    HB2  SER  52           HB2      SER  52  -3.716   6.650  -7.925
  364    HB3  SER  52           HB1      SER  52  -2.958   5.649  -9.170
  365    HG   SER  52           HG       SER  52  -4.675   5.795 -10.389
  366    H    ARG  53           HN       ARG  53  -1.833   3.645  -8.016
  367    HA   ARG  53           HA       ARG  53  -2.167   1.997 -10.275
  368    HB2  ARG  53           HB2      ARG  53  -0.037   1.796  -8.147
  369    HB3  ARG  53           HB1      ARG  53   0.023   1.058  -9.740
  370    HG2  ARG  53           HG2      ARG  53  -0.221   3.436 -10.638
  371    HG3  ARG  53           HG1      ARG  53   0.211   3.949  -9.005
  372    HD2  ARG  53           HD2      ARG  53   2.353   3.777  -9.740
  373    HD3  ARG  53           HD1      ARG  53   2.106   2.036  -9.535
  374    HE   ARG  53           HE       ARG  53   1.212   2.313 -12.011
  375   HH11  ARG  53          HH11      ARG  53   4.053   3.766 -10.535
  376   HH12  ARG  53          HH12      ARG  53   4.982   3.713 -12.001
  377   HH21  ARG  53          HH21      ARG  53   2.423   2.239 -13.911
  378   HH22  ARG  53          HH22      ARG  53   4.059   2.824 -13.937
  379    H    PHE  54           HN       PHE  54  -2.573   1.385  -6.854
  380    HA   PHE  54           HA       PHE  54  -2.727  -1.409  -6.905
  381    HB2  PHE  54           HB2      PHE  54  -4.253   0.670  -5.329
  382    HB3  PHE  54           HB1      PHE  54  -4.518  -1.051  -5.104
  383    HD1  PHE  54           HD1      PHE  54  -1.251  -0.888  -5.917
  384    HD2  PHE  54           HD2      PHE  54  -3.824   0.183  -2.694
  385    HE1  PHE  54           HE1      PHE  54   0.655  -0.950  -4.374
  386    HE2  PHE  54           HE2      PHE  54  -1.907   0.107  -1.149
  387    HZ   PHE  54           HZ       PHE  54   0.167  -0.479  -1.804
  388    H    ARG  55           HN       ARG  55  -5.079   1.071  -7.795
  389    HA   ARG  55           HA       ARG  55  -7.171  -0.854  -8.289
  390    HB2  ARG  55           HB2      ARG  55  -7.195   2.054  -9.124
  391    HB3  ARG  55           HB1      ARG  55  -8.562   1.006  -8.799
  392    HG2  ARG  55           HG2      ARG  55  -8.108   1.020  -6.452
  393    HG3  ARG  55           HG1      ARG  55  -6.585   1.877  -6.702
  394    HD2  ARG  55           HD2      ARG  55  -9.333   2.958  -7.336
  395    HD3  ARG  55           HD1      ARG  55  -8.382   3.364  -5.905
  396    HE   ARG  55           HE       ARG  55  -6.805   3.936  -8.125
  397   HH11  ARG  55          HH11      ARG  55  -9.833   5.051  -6.758
  398   HH12  ARG  55          HH12      ARG  55  -9.678   6.657  -7.393
  399   HH21  ARG  55          HH21      ARG  55  -6.588   6.080  -8.952
  400   HH22  ARG  55          HH22      ARG  55  -7.849   7.236  -8.639
  401    H    GLU  56           HN       GLU  56  -4.849   1.004 -10.191
  402    HA   GLU  56           HA       GLU  56  -6.192   0.308 -12.660
  403    HB2  GLU  56           HB2      GLU  56  -3.743   2.000 -12.140
  404    HB3  GLU  56           HB1      GLU  56  -4.502   1.784 -13.713
  405    HG2  GLU  56           HG2      GLU  56  -6.558   2.793 -12.873
  406    HG3  GLU  56           HG1      GLU  56  -5.819   2.994 -11.288
  407    H    ASP  57           HN       ASP  57  -3.015  -0.223 -11.173
  408    HA   ASP  57           HA       ASP  57  -2.138  -1.900 -13.350
  409    HB2  ASP  57           HB2      ASP  57  -0.891  -1.033 -10.754
  410    HB3  ASP  57           HB1      ASP  57  -0.167  -2.312 -11.716
  411    H    LEU  58           HN       LEU  58  -3.051  -2.389  -9.952
  412    HA   LEU  58           HA       LEU  58  -2.625  -5.270 -10.264
  413    HB2  LEU  58           HB2      LEU  58  -2.791  -3.421  -7.938
  414    HB3  LEU  58           HB1      LEU  58  -3.321  -5.073  -7.693
  415    HG   LEU  58           HG       LEU  58  -1.108  -5.880  -8.445
  416   HD11  LEU  58          HD11      LEU  58  -0.336  -2.971  -8.427
  417   HD12  LEU  58          HD12      LEU  58  -0.494  -3.981  -9.862
  418   HD13  LEU  58          HD13      LEU  58   0.747  -4.343  -8.663
  419   HD21  LEU  58          HD21      LEU  58  -1.036  -3.903  -6.175
  420   HD22  LEU  58          HD22      LEU  58   0.098  -5.230  -6.438
  421   HD23  LEU  58          HD23      LEU  58  -1.593  -5.573  -6.079
  422    H    GLY  59           HN       GLY  59  -5.230  -3.005  -9.996
  423    HA2  GLY  59           HA2      GLY  59  -7.465  -3.441 -10.519
  424    HA3  GLY  59           HA1      GLY  59  -7.117  -5.162 -10.474
  425    H    LEU  60           HN       LEU  60  -6.305  -2.955  -7.869
  426    HA   LEU  60           HA       LEU  60  -7.986  -4.496  -6.071
  427    HB2  LEU  60           HB2      LEU  60  -6.038  -2.250  -5.580
  428    HB3  LEU  60           HB1      LEU  60  -6.949  -3.045  -4.314
  429    HG   LEU  60           HG       LEU  60  -4.901  -4.354  -6.105
  430   HD11  LEU  60          HD11      LEU  60  -4.821  -3.573  -3.187
  431   HD12  LEU  60          HD12      LEU  60  -3.858  -2.881  -4.492
  432   HD13  LEU  60          HD13      LEU  60  -3.601  -4.556  -4.002
  433   HD21  LEU  60          HD21      LEU  60  -6.408  -5.498  -3.755
  434   HD22  LEU  60          HD22      LEU  60  -5.223  -6.332  -4.761
  435   HD23  LEU  60          HD23      LEU  60  -6.768  -5.840  -5.447
  436    H    ASP  61           HN       ASP  61 -10.029  -3.891  -5.609
  437    HA   ASP  61           HA       ASP  61 -11.000  -1.299  -6.427
  438    HB2  ASP  61           HB2      ASP  61 -12.254  -3.525  -6.663
  439    HB3  ASP  61           HB1      ASP  61 -12.554  -3.410  -4.930
  440    H    LEU  62           HN       LEU  62  -9.724  -0.037  -4.978
  441    HA   LEU  62           HA       LEU  62 -10.257  -0.263  -2.138
  442    HB2  LEU  62           HB2      LEU  62  -8.525   1.635  -3.712
  443    HB3  LEU  62           HB1      LEU  62  -8.640   1.623  -1.963
  444    HG   LEU  62           HG       LEU  62  -7.584  -0.622  -3.683
  445   HD11  LEU  62          HD11      LEU  62  -6.104   1.307  -3.635
  446   HD12  LEU  62          HD12      LEU  62  -5.426  -0.025  -2.697
  447   HD13  LEU  62          HD13      LEU  62  -6.185   1.339  -1.874
  448   HD21  LEU  62          HD21      LEU  62  -7.687  -0.326  -0.683
  449   HD22  LEU  62          HD22      LEU  62  -6.899  -1.632  -1.568
  450   HD23  LEU  62          HD23      LEU  62  -8.653  -1.448  -1.646
  451    H    GLY  63           HN       GLY  63  -9.848   2.874  -3.572
  452    HA2  GLY  63           HA2      GLY  63 -12.337   3.838  -4.023
  453    HA3  GLY  63           HA1      GLY  63 -12.184   3.885  -2.271
  454    HA   PRO  64           HA       PRO  64  -9.998   7.540  -4.250
  455    HB2  PRO  64           HB2      PRO  64 -11.843   9.492  -4.065
  456    HB3  PRO  64           HB1      PRO  64 -11.777   8.364  -5.431
  457    HG2  PRO  64           HG2      PRO  64 -13.601   8.386  -3.081
  458    HG3  PRO  64           HG1      PRO  64 -13.949   7.956  -4.762
  459    HD2  PRO  64           HD2      PRO  64 -13.480   6.153  -2.699
  460    HD3  PRO  64           HD1      PRO  64 -13.354   5.790  -4.429
  461    H    GLU  65           HN       GLU  65 -11.575   6.920  -1.299
  462    HA   GLU  65           HA       GLU  65 -10.574   9.296   0.039
  463    HB2  GLU  65           HB2      GLU  65 -12.148   6.916   1.009
  464    HB3  GLU  65           HB1      GLU  65 -11.526   8.136   2.106
  465    HG2  GLU  65           HG2      GLU  65 -13.824   8.598   1.657
  466    HG3  GLU  65           HG1      GLU  65 -12.844   9.842   0.885
  467    H    PHE  66           HN       PHE  66  -9.104   6.565  -0.950
  468    HA   PHE  66           HA       PHE  66  -7.671   6.085   1.548
  469    HB2  PHE  66           HB2      PHE  66  -8.612   4.151   0.314
  470    HB3  PHE  66           HB1      PHE  66  -7.579   4.544  -1.051
  471    HD1  PHE  66           HD2      PHE  66  -7.572   3.363   2.452
  472    HD2  PHE  66           HD1      PHE  66  -5.319   3.905  -1.119
  473    HE1  PHE  66           HE2      PHE  66  -5.765   1.988   3.385
  474    HE2  PHE  66           HE1      PHE  66  -3.515   2.527  -0.195
  475    HZ   PHE  66           HZ       PHE  66  -3.727   1.561   2.059
  476    H    SER  67           HN       SER  67  -5.790   7.020   1.909
  477    HA   SER  67           HA       SER  67  -3.914   7.369  -0.318
  478    HB2  SER  67           HB2      SER  67  -5.078   9.544   0.014
  479    HB3  SER  67           HB1      SER  67  -4.547   9.545   1.695
  480    HG   SER  67           HG       SER  67  -3.263  10.643  -0.160
  481    H    LEU  68           HN       LEU  68  -1.987   6.567   0.218
  482    HA   LEU  68           HA       LEU  68  -1.495   5.242   2.616
  483    HB2  LEU  68           HB2      LEU  68   0.495   6.326   0.636
  484    HB3  LEU  68           HB1      LEU  68   0.889   5.212   1.924
  485    HG   LEU  68           HG       LEU  68  -0.749   4.700  -0.537
  486   HD11  LEU  68          HD11      LEU  68   1.630   4.455  -0.801
  487   HD12  LEU  68          HD12      LEU  68   0.897   2.849  -0.747
  488   HD13  LEU  68          HD13      LEU  68   1.730   3.488   0.672
  489   HD21  LEU  68          HD21      LEU  68  -1.228   2.486   0.372
  490   HD22  LEU  68          HD22      LEU  68  -1.954   3.754   1.361
  491   HD23  LEU  68          HD23      LEU  68  -0.480   2.950   1.900
  492    H    PHE  69           HN       PHE  69  -0.979   8.556   1.775
  493    HA   PHE  69           HA       PHE  69   1.091   9.133   3.611
  494    HB2  PHE  69           HB2      PHE  69   0.467  10.448   1.543
  495    HB3  PHE  69           HB1      PHE  69  -0.910  11.083   2.436
  496    HD1  PHE  69           HD1      PHE  69   2.325  10.487   4.068
  497    HD2  PHE  69           HD2      PHE  69  -0.200  13.337   2.179
  498    HE1  PHE  69           HE1      PHE  69   3.738  12.307   4.942
  499    HE2  PHE  69           HE2      PHE  69   1.199  15.165   3.054
  500    HZ   PHE  69           HZ       PHE  69   3.168  14.647   4.437
  501    H    ILE  70           HN       ILE  70  -2.270   8.638   4.014
  502    HA   ILE  70           HA       ILE  70  -2.080   9.745   6.742
  503    HB   ILE  70           HB       ILE  70  -4.529   9.831   4.941
  504   HG12  ILE  70          HG12      ILE  70  -2.813  12.025   6.131
  505   HG13  ILE  70          HG11      ILE  70  -2.893  11.571   4.435
  506   HG21  ILE  70          HG21      ILE  70  -5.167   9.308   7.226
  507   HG22  ILE  70          HG22      ILE  70  -5.659  10.943   6.786
  508   HG23  ILE  70          HG23      ILE  70  -4.249  10.696   7.815
  509   HD11  ILE  70          HD11      ILE  70  -5.160  12.730   6.039
  510   HD12  ILE  70          HD12      ILE  70  -5.221  12.281   4.334
  511   HD13  ILE  70          HD13      ILE  70  -4.168  13.592   4.865
  512    H    ASP  71           HN       ASP  71  -3.343   7.234   4.625
  513    HA   ASP  71           HA       ASP  71  -4.654   5.880   6.840
  514    HB2  ASP  71           HB2      ASP  71  -4.532   5.228   3.881
  515    HB3  ASP  71           HB1      ASP  71  -5.412   4.291   5.074
  516    H    CYS  72           HN       CYS  72  -1.563   6.051   6.077
  517    HA   CYS  72           HA       CYS  72  -0.955   3.395   6.988
  518    HB2  CYS  72           HB2      CYS  72  -0.147   4.285   4.212
  519    HB3  CYS  72           HB1      CYS  72   0.598   2.935   5.063
  520    HG   CYS  72           HG       CYS  72  -2.657   2.528   5.084
  521    H    THR  73           HN       THR  73   1.285   3.190   7.562
  522    HA   THR  73           HA       THR  73   2.711   5.758   7.718
  523    HB   THR  73           HB       THR  73   3.331   5.196  10.048
  524    HG1  THR  73           HG1      THR  73   1.326   3.287  10.309
  525   HG21  THR  73          HG21      THR  73   0.384   5.253   9.420
  526   HG22  THR  73          HG22      THR  73   1.440   6.638   9.716
  527   HG23  THR  73          HG23      THR  73   1.051   5.526  11.032
  528    H    THR  74           HN       THR  74   3.433   2.482   8.934
  529    HA   THR  74           HA       THR  74   5.985   2.511   7.576
  530    HB   THR  74           HB       THR  74   6.353   0.312   8.598
  531    HG1  THR  74           HG1      THR  74   4.460  -0.146  10.222
  532   HG21  THR  74          HG21      THR  74   6.861   2.287   9.928
  533   HG22  THR  74          HG22      THR  74   6.243   1.006  10.970
  534   HG23  THR  74          HG23      THR  74   5.197   2.350  10.512
  535    H    VAL  75           HN       VAL  75   6.302  -0.119   6.732
  536    HA   VAL  75           HA       VAL  75   4.810   0.021   4.246
  537    HB   VAL  75           HB       VAL  75   6.607  -2.287   4.771
  538   HG11  VAL  75          HG11      VAL  75   5.562  -2.060   2.615
  539   HG12  VAL  75          HG12      VAL  75   7.301  -1.796   2.454
  540   HG13  VAL  75          HG13      VAL  75   6.199  -0.422   2.446
  541   HG21  VAL  75          HG21      VAL  75   7.876  -0.506   5.807
  542   HG22  VAL  75          HG22      VAL  75   7.648   0.517   4.388
  543   HG23  VAL  75          HG23      VAL  75   8.617  -0.953   4.271
  544    H    ARG  76           HN       ARG  76   5.269  -2.081   6.991
  545    HA   ARG  76           HA       ARG  76   3.542  -4.145   6.311
  546    HB2  ARG  76           HB2      ARG  76   5.111  -4.369   8.119
  547    HB3  ARG  76           HB1      ARG  76   4.341  -3.061   9.006
  548    HG2  ARG  76           HG2      ARG  76   2.475  -4.343   9.511
  549    HG3  ARG  76           HG1      ARG  76   2.841  -5.541   8.267
  550    HD2  ARG  76           HD2      ARG  76   4.408  -5.041  10.780
  551    HD3  ARG  76           HD1      ARG  76   3.351  -6.414  10.475
  552    HE   ARG  76           HE       ARG  76   5.195  -6.381   8.420
  553   HH11  ARG  76          HH11      ARG  76   5.289  -6.778  11.911
  554   HH12  ARG  76          HH12      ARG  76   6.750  -7.725  11.879
  555   HH21  ARG  76          HH21      ARG  76   7.087  -7.607   8.371
  556   HH22  ARG  76          HH22      ARG  76   7.769  -8.208   9.859
  557    H    ALA  77           HN       ALA  77   2.914  -0.997   7.729
  558    HA   ALA  77           HA       ALA  77   0.280  -1.312   8.538
  559    HB1  ALA  77           HB1      ALA  77   1.527   1.101   7.226
  560    HB2  ALA  77           HB2      ALA  77   1.535   0.729   8.949
  561    HB3  ALA  77           HB3      ALA  77   0.014   1.093   8.131
  562    H    LEU  78           HN       LEU  78   1.598  -0.895   5.309
  563    HA   LEU  78           HA       LEU  78  -0.931  -0.655   3.984
  564    HB2  LEU  78           HB2      LEU  78   1.643  -0.155   3.275
  565    HB3  LEU  78           HB1      LEU  78   1.398  -1.699   2.493
  566    HG   LEU  78           HG       LEU  78  -0.440   0.639   2.067
  567   HD11  LEU  78          HD11      LEU  78   0.849   1.010  -0.029
  568   HD12  LEU  78          HD12      LEU  78   2.059  -0.130   0.561
  569   HD13  LEU  78          HD13      LEU  78   1.759   1.369   1.436
  570   HD21  LEU  78          HD21      LEU  78   0.095  -1.867   0.483
  571   HD22  LEU  78          HD22      LEU  78  -0.940  -0.538  -0.030
  572   HD23  LEU  78          HD23      LEU  78  -1.366  -1.485   1.396
  573    H    LYS  79           HN       LYS  79   1.491  -3.210   4.292
  574    HA   LYS  79           HA       LYS  79   0.303  -5.366   3.057
  575    HB2  LYS  79           HB2      LYS  79   1.665  -5.584   5.728
  576    HB3  LYS  79           HB1      LYS  79   1.668  -6.751   4.414
  577    HG2  LYS  79           HG2      LYS  79   2.895  -4.049   4.042
  578    HG3  LYS  79           HG1      LYS  79   3.787  -5.317   4.874
  579    HD2  LYS  79           HD2      LYS  79   3.407  -6.768   2.871
  580    HD3  LYS  79           HD1      LYS  79   2.709  -5.363   2.062
  581    HE2  LYS  79           HE2      LYS  79   5.040  -5.608   1.426
  582    HE3  LYS  79           HE1      LYS  79   4.822  -4.142   2.393
  583    HZ1  LYS  79           HZ1      LYS  79   5.770  -5.203   4.285
  584    HZ2  LYS  79           HZ2      LYS  79   6.808  -5.518   2.986
  585    HZ3  LYS  79           HZ3      LYS  79   5.756  -6.726   3.538
  586    H    ASP  80           HN       ASP  80   0.029  -4.469   6.469
  587    HA   ASP  80           HA       ASP  80  -1.821  -6.301   7.359
  588    HB2  ASP  80           HB2      ASP  80  -0.614  -4.715   8.794
  589    HB3  ASP  80           HB1      ASP  80  -1.575  -3.390   8.154
  590    H    PHE  81           HN       PHE  81  -2.455  -3.216   5.781
  591    HA   PHE  81           HA       PHE  81  -5.238  -3.184   6.215
  592    HB2  PHE  81           HB2      PHE  81  -4.039  -1.144   5.653
  593    HB3  PHE  81           HB1      PHE  81  -3.605  -1.802   4.078
  594    HD1  PHE  81           HD1      PHE  81  -6.457  -0.681   6.153
  595    HD2  PHE  81           HD2      PHE  81  -5.060  -1.628   2.246
  596    HE1  PHE  81           HE1      PHE  81  -8.505   0.283   5.191
  597    HE2  PHE  81           HE2      PHE  81  -7.107  -0.666   1.276
  598    HZ   PHE  81           HZ       PHE  81  -8.877   0.210   2.769
  599    H    MET  82           HN       MET  82  -3.282  -4.513   3.627
  600    HA   MET  82           HA       MET  82  -5.240  -4.792   1.659
  601    HB2  MET  82           HB2      MET  82  -3.036  -6.788   2.072
  602    HB3  MET  82           HB1      MET  82  -3.777  -6.288   0.559
  603    HG2  MET  82           HG2      MET  82  -2.816  -4.015   0.912
  604    HG3  MET  82           HG1      MET  82  -1.954  -4.658   2.310
  605    HE1  MET  82           HE1      MET  82  -1.609  -3.673  -1.189
  606    HE2  MET  82           HE2      MET  82  -2.568  -5.117  -1.531
  607    HE3  MET  82           HE3      MET  82  -0.886  -5.025  -2.062
  608    H    LEU  83           HN       LEU  83  -4.196  -7.175   4.088
  609    HA   LEU  83           HA       LEU  83  -6.393  -8.906   3.357
  610    HB2  LEU  83           HB2      LEU  83  -4.329  -9.149   5.561
  611    HB3  LEU  83           HB1      LEU  83  -5.531 -10.366   5.199
  612    HG   LEU  83           HG       LEU  83  -4.456 -10.497   2.868
  613   HD11  LEU  83          HD11      LEU  83  -3.181  -8.442   2.946
  614   HD12  LEU  83          HD12      LEU  83  -2.105  -9.827   2.752
  615   HD13  LEU  83          HD13      LEU  83  -2.258  -9.044   4.325
  616   HD21  LEU  83          HD21      LEU  83  -2.688 -12.010   3.640
  617   HD22  LEU  83          HD22      LEU  83  -4.176 -12.260   4.553
  618   HD23  LEU  83          HD23      LEU  83  -2.840 -11.361   5.274
  619    H    GLY  84           HN       GLY  84  -5.537  -6.609   5.842
  620    HA2  GLY  84           HA2      GLY  84  -6.911  -5.456   7.319
  621    HA3  GLY  84           HA1      GLY  84  -8.290  -6.193   6.512
  622    H    SER  85           HN       SER  85  -9.417  -6.683   8.352
  623    HA   SER  85           HA       SER  85  -8.176  -8.579  10.207
  624    HB2  SER  85           HB2      SER  85 -10.753  -7.008  10.481
  625    HB3  SER  85           HB1      SER  85  -9.974  -7.973  11.734
  626    HG   SER  85           HG       SER  85  -8.120  -6.356  10.932
  627    H    GLY  86           HN       GLY  86  -8.893  -9.430   7.622
  628    HA2  GLY  86           HA2      GLY  86 -11.393 -10.928   8.067
  629    HA3  GLY  86           HA1      GLY  86 -10.774 -10.470   6.490
  630    H    ASP  87           HN       ASP  87  -8.718 -11.761   9.013
  631    HA   ASP  87           HA       ASP  87  -7.591 -13.775   7.449
  632    HB2  ASP  87           HB2      ASP  87  -7.867 -13.761  10.464
  633    HB3  ASP  87           HB1      ASP  87  -6.713 -14.708   9.531
  634    H    ALA  88           HN       ALA  88  -9.796 -14.246  10.184
  635    HA   ALA  88           HA       ALA  88 -11.234 -16.307   8.705
  636    HB1  ALA  88           HB1      ALA  88 -10.053 -16.797  11.444
  637    HB2  ALA  88           HB2      ALA  88  -9.497 -17.530   9.938
  638    HB3  ALA  88           HB3      ALA  88 -11.107 -17.898  10.556
  639    H    GLY  89           HN       GLY  89 -12.830 -14.648   8.669
  640    HA2  GLY  89           HA2      GLY  89 -14.638 -14.728  10.874
  641    HA3  GLY  89           HA1      GLY  89 -13.805 -13.180  10.781
  642   H282  PNS  90          H28A      PNS  44  -0.643  14.521  -3.668
  643   H281  PNS  90          H28B      PNS  44  -2.370  14.162  -3.650
  644   H303  PNS  90          H30A      PNS  44  -0.484  14.124  -6.026
  645   H302  PNS  90          H30B      PNS  44  -1.584  14.903  -7.163
  646   H301  PNS  90          H30C      PNS  44  -2.194  13.687  -6.042
  647   H313  PNS  90          H31A      PNS  44  -3.313  16.532  -6.299
  648   H312  PNS  90          H31B      PNS  44  -3.441  16.794  -4.558
  649   H311  PNS  90          H31C      PNS  44  -3.888  15.236  -5.254
  650    H32  PNS  90          H32A      PNS  44  -1.012  17.509  -4.559
  651    H33  PNS  90          H33A      PNS  44   1.055  16.344  -5.888
  652    H36  PNS  90          H36A      PNS  44  -2.442  18.438  -6.217
  653   H372  PNS  90          H37A      PNS  44  -1.330  19.790  -8.240
  654   H371  PNS  90          H37B      PNS  44  -1.734  18.261  -9.012
  655   H382  PNS  90          H38A      PNS  44  -3.482  19.939  -9.359
  656   H381  PNS  90          H38B      PNS  44  -4.073  18.555  -8.445
  657    H41  PNS  90          H41A      PNS  44  -5.580  20.650  -8.378
  658   H422  PNS  90          H42A      PNS  44  -5.761  21.367  -5.633
  659   H421  PNS  90          H42B      PNS  44  -5.246  22.740  -6.614
  660   H431  PNS  90          H43A      PNS  44  -7.725  21.093  -7.095
  661   H432  PNS  90          H43B      PNS  44  -7.234  22.532  -7.988
  662    H44  PNS  90           H1       PNS  44  -7.530  24.254  -5.782
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1 -14.383   2.833   8.809
    2    H2   ALA   1           HT2      ALA   1 -14.123   1.360   9.608
    3    H3   ALA   1           HT3      ALA   1 -14.397   2.773  10.505
    4    HA   ALA   1           HA       ALA   1 -16.360   1.393  10.473
    5    HB1  ALA   1           HB1      ALA   1 -16.602   3.828  10.555
    6    HB2  ALA   1           HB2      ALA   1 -17.941   3.071   9.695
    7    HB3  ALA   1           HB3      ALA   1 -16.657   3.879   8.794
    8    H    MET   2           HN       MET   2 -15.560   2.566   7.200
    9    HA   MET   2           HA       MET   2 -16.952   0.242   6.084
   10    HB2  MET   2           HB2      MET   2 -15.854   2.757   4.806
   11    HB3  MET   2           HB1      MET   2 -16.410   1.383   3.862
   12    HG2  MET   2           HG2      MET   2 -18.179   2.935   3.913
   13    HG3  MET   2           HG1      MET   2 -18.631   1.621   4.994
   14    HE1  MET   2           HE1      MET   2 -20.544   3.138   6.063
   15    HE2  MET   2           HE2      MET   2 -20.097   4.427   4.945
   16    HE3  MET   2           HE3      MET   2 -20.261   4.770   6.667
   17    H    ALA   3           HN       ALA   3 -15.841  -1.402   5.051
   18    HA   ALA   3           HA       ALA   3 -14.155  -2.693   4.288
   19    HB1  ALA   3           HB1      ALA   3 -12.424  -0.228   4.308
   20    HB2  ALA   3           HB2      ALA   3 -13.442  -0.748   2.966
   21    HB3  ALA   3           HB3      ALA   3 -12.089  -1.753   3.485
   22    H    LYS   4           HN       LYS   4 -12.948  -4.123   5.301
   23    HA   LYS   4           HA       LYS   4 -11.365  -3.385   7.629
   24    HB2  LYS   4           HB2      LYS   4 -13.713  -3.847   8.425
   25    HB3  LYS   4           HB1      LYS   4 -13.530  -5.485   7.819
   26    HG2  LYS   4           HG2      LYS   4 -11.696  -5.855   9.394
   27    HG3  LYS   4           HG1      LYS   4 -11.889  -4.206   9.999
   28    HD2  LYS   4           HD2      LYS   4 -14.243  -4.769  10.576
   29    HD3  LYS   4           HD1      LYS   4 -13.914  -6.436  10.112
   30    HE2  LYS   4           HE2      LYS   4 -12.171  -6.560  11.842
   31    HE3  LYS   4           HE1      LYS   4 -12.532  -4.901  12.316
   32    HZ1  LYS   4           HZ1      LYS   4 -14.832  -5.650  12.799
   33    HZ2  LYS   4           HZ2      LYS   4 -13.658  -6.373  13.794
   34    HZ3  LYS   4           HZ3      LYS   4 -14.337  -7.249  12.511
   35    H    GLY   5           HN       GLY   5  -9.699  -3.996   6.153
   36    HA2  GLY   5           HA2      GLY   5  -8.144  -5.599   5.455
   37    HA3  GLY   5           HA1      GLY   5  -9.285  -6.862   5.908
   38    H    VAL   6           HN       VAL   6  -7.720  -5.826   3.342
   39    HA   VAL   6           HA       VAL   6  -9.823  -5.447   1.436
   40    HB   VAL   6           HB       VAL   6  -6.929  -6.145   0.969
   41   HG11  VAL   6          HG11      VAL   6  -8.972  -5.025  -0.945
   42   HG12  VAL   6          HG12      VAL   6  -8.375  -6.684  -0.951
   43   HG13  VAL   6          HG13      VAL   6  -7.276  -5.351  -1.305
   44   HG21  VAL   6          HG21      VAL   6  -6.607  -3.773   0.556
   45   HG22  VAL   6          HG22      VAL   6  -7.247  -4.028   2.180
   46   HG23  VAL   6          HG23      VAL   6  -8.312  -3.469   0.891
   47    H    GLY   7           HN       GLY   7  -7.465  -8.100   1.795
   48    HA2  GLY   7           HA2      GLY   7  -8.202 -10.400   1.919
   49    HA3  GLY   7           HA1      GLY   7  -9.571  -9.966   0.902
   50    H    VAL   8           HN       VAL   8  -6.058 -10.302   0.948
   51    HA   VAL   8           HA       VAL   8  -6.156 -10.767  -1.960
   52    HB   VAL   8           HB       VAL   8  -4.146  -9.597  -2.331
   53   HG11  VAL   8          HG11      VAL   8  -5.655  -8.018  -0.261
   54   HG12  VAL   8          HG12      VAL   8  -6.008  -8.095  -1.989
   55   HG13  VAL   8          HG13      VAL   8  -4.507  -7.361  -1.424
   56   HG21  VAL   8          HG21      VAL   8  -2.731 -10.422  -0.612
   57   HG22  VAL   8          HG22      VAL   8  -3.712  -9.669   0.649
   58   HG23  VAL   8          HG23      VAL   8  -2.767  -8.665  -0.449
   59    H    SER   9           HN       SER   9  -4.493 -12.193  -2.796
   60    HA   SER   9           HA       SER   9  -3.591 -14.185  -0.879
   61    HB2  SER   9           HB2      SER   9  -2.807 -15.360  -2.982
   62    HB3  SER   9           HB1      SER   9  -4.546 -15.079  -2.903
   63    HG   SER   9           HG       SER   9  -4.248 -14.175  -4.783
   64    H    ASN  10           HN       ASN  10  -1.198 -15.022  -1.743
   65    HA   ASN  10           HA       ASN  10   0.553 -12.950  -0.885
   66    HB2  ASN  10           HB2      ASN  10   1.148 -15.664  -2.093
   67    HB3  ASN  10           HB1      ASN  10   2.373 -14.567  -1.473
   68   HD21  ASN  10          HD21      ASN  10   3.064 -15.963   0.091
   69   HD22  ASN  10          HD22      ASN  10   2.128 -16.332   1.496
   70    H    GLU  11           HN       GLU  11  -0.624 -14.027  -3.907
   71    HA   GLU  11           HA       GLU  11   1.281 -13.028  -5.681
   72    HB2  GLU  11           HB2      GLU  11  -0.419 -14.416  -6.557
   73    HB3  GLU  11           HB1      GLU  11  -1.694 -13.475  -5.809
   74    HG2  GLU  11           HG2      GLU  11  -0.133 -11.960  -7.736
   75    HG3  GLU  11           HG1      GLU  11  -0.948 -13.355  -8.440
   76    H    LYS  12           HN       LYS  12  -1.478 -11.470  -4.161
   77    HA   LYS  12           HA       LYS  12  -0.998  -8.958  -5.430
   78    HB2  LYS  12           HB2      LYS  12  -2.913 -10.036  -3.495
   79    HB3  LYS  12           HB1      LYS  12  -2.558  -8.311  -3.341
   80    HG2  LYS  12           HG2      LYS  12  -3.269  -7.828  -5.474
   81    HG3  LYS  12           HG1      LYS  12  -3.086  -9.490  -6.020
   82    HD2  LYS  12           HD2      LYS  12  -5.008 -10.085  -4.525
   83    HD3  LYS  12           HD1      LYS  12  -5.241  -8.346  -4.260
   84    HE2  LYS  12           HE2      LYS  12  -6.664  -9.103  -6.061
   85    HE3  LYS  12           HE1      LYS  12  -5.408  -8.019  -6.664
   86    HZ1  LYS  12           HZ1      LYS  12  -5.466 -10.978  -6.904
   87    HZ2  LYS  12           HZ2      LYS  12  -4.130 -10.018  -7.325
   88    HZ3  LYS  12           HZ3      LYS  12  -5.595  -9.841  -8.157
   89    H    LEU  13           HN       LEU  13   0.103 -10.524  -2.547
   90    HA   LEU  13           HA       LEU  13   1.163  -8.166  -1.322
   91    HB2  LEU  13           HB2      LEU  13   0.658 -10.363  -0.169
   92    HB3  LEU  13           HB1      LEU  13   2.121 -11.002  -0.881
   93    HG   LEU  13           HG       LEU  13   3.432  -9.297   0.286
   94   HD11  LEU  13          HD11      LEU  13   2.349  -7.932   2.035
   95   HD12  LEU  13          HD12      LEU  13   0.772  -8.499   1.471
   96   HD13  LEU  13          HD13      LEU  13   1.797  -7.529   0.412
   97   HD21  LEU  13          HD21      LEU  13   3.091 -11.465   1.334
   98   HD22  LEU  13          HD22      LEU  13   1.612 -10.882   2.095
   99   HD23  LEU  13          HD23      LEU  13   3.169 -10.186   2.546
  100    H    ASP  14           HN       ASP  14   2.382 -10.465  -3.734
  101    HA   ASP  14           HA       ASP  14   5.042  -9.424  -3.664
  102    HB2  ASP  14           HB2      ASP  14   3.498 -11.367  -5.340
  103    HB3  ASP  14           HB1      ASP  14   4.952 -10.672  -5.991
  104    H    ALA  15           HN       ALA  15   2.047  -8.701  -5.270
  105    HA   ALA  15           HA       ALA  15   3.265  -7.154  -7.367
  106    HB1  ALA  15           HB1      ALA  15   1.090  -8.450  -7.599
  107    HB2  ALA  15           HB2      ALA  15   1.089  -6.796  -8.211
  108    HB3  ALA  15           HB3      ALA  15   0.341  -7.158  -6.658
  109    H    VAL  16           HN       VAL  16   1.802  -6.526  -4.229
  110    HA   VAL  16           HA       VAL  16   1.503  -3.741  -4.611
  111    HB   VAL  16           HB       VAL  16   0.281  -4.761  -2.821
  112   HG11  VAL  16          HG11      VAL  16   2.940  -5.384  -1.528
  113   HG12  VAL  16          HG12      VAL  16   1.838  -6.565  -2.239
  114   HG13  VAL  16          HG13      VAL  16   1.351  -5.650  -0.811
  115   HG21  VAL  16          HG21      VAL  16   0.911  -2.421  -2.541
  116   HG22  VAL  16          HG22      VAL  16   2.410  -2.909  -1.744
  117   HG23  VAL  16          HG23      VAL  16   0.852  -3.241  -0.977
  118    H    MET  17           HN       MET  17   4.097  -5.679  -3.229
  119    HA   MET  17           HA       MET  17   5.611  -3.536  -2.252
  120    HB2  MET  17           HB2      MET  17   6.541  -6.287  -3.128
  121    HB3  MET  17           HB1      MET  17   7.500  -5.140  -2.219
  122    HG2  MET  17           HG2      MET  17   5.952  -5.227  -0.375
  123    HG3  MET  17           HG1      MET  17   4.910  -6.314  -1.286
  124    HE1  MET  17           HE1      MET  17   9.186  -7.533  -0.022
  125    HE2  MET  17           HE2      MET  17   8.542  -5.910   0.236
  126    HE3  MET  17           HE3      MET  17   8.833  -6.495  -1.402
  127    H    ARG  18           HN       ARG  18   5.511  -5.026  -5.471
  128    HA   ARG  18           HA       ARG  18   7.837  -3.778  -6.472
  129    HB2  ARG  18           HB2      ARG  18   7.117  -4.384  -8.659
  130    HB3  ARG  18           HB1      ARG  18   6.616  -5.685  -7.587
  131    HG2  ARG  18           HG2      ARG  18   4.367  -4.899  -7.593
  132    HG3  ARG  18           HG1      ARG  18   4.818  -3.450  -8.488
  133    HD2  ARG  18           HD2      ARG  18   5.087  -6.274  -9.501
  134    HD3  ARG  18           HD1      ARG  18   3.761  -5.184  -9.906
  135    HE   ARG  18           HE       ARG  18   6.575  -4.593 -10.577
  136   HH11  ARG  18          HH11      ARG  18   3.172  -4.644 -11.415
  137   HH12  ARG  18          HH12      ARG  18   3.428  -4.025 -13.016
  138   HH21  ARG  18          HH21      ARG  18   6.916  -3.775 -12.659
  139   HH22  ARG  18          HH22      ARG  18   5.562  -3.530 -13.727
  140    H    VAL  19           HN       VAL  19   4.522  -2.725  -6.123
  141    HA   VAL  19           HA       VAL  19   4.815  -0.418  -7.808
  142    HB   VAL  19           HB       VAL  19   2.626  -1.295  -5.891
  143   HG11  VAL  19          HG11      VAL  19   2.765   1.160  -7.620
  144   HG12  VAL  19          HG12      VAL  19   2.604   1.094  -5.869
  145   HG13  VAL  19          HG13      VAL  19   1.283   0.538  -6.899
  146   HG21  VAL  19          HG21      VAL  19   2.675  -1.078  -8.903
  147   HG22  VAL  19          HG22      VAL  19   1.370  -1.719  -7.910
  148   HG23  VAL  19          HG23      VAL  19   2.907  -2.570  -7.993
  149    H    VAL  20           HN       VAL  20   4.854  -1.182  -4.407
  150    HA   VAL  20           HA       VAL  20   5.105   1.459  -3.437
  151    HB   VAL  20           HB       VAL  20   5.750  -1.258  -2.283
  152   HG11  VAL  20          HG11      VAL  20   6.369  -0.195  -0.164
  153   HG12  VAL  20          HG12      VAL  20   6.266   1.396  -0.922
  154   HG13  VAL  20          HG13      VAL  20   7.496   0.247  -1.448
  155   HG21  VAL  20          HG21      VAL  20   4.015  -0.561  -0.649
  156   HG22  VAL  20          HG22      VAL  20   3.422  -0.625  -2.307
  157   HG23  VAL  20          HG23      VAL  20   3.796   0.931  -1.565
  158    H    SER  21           HN       SER  21   7.495  -1.001  -4.354
  159    HA   SER  21           HA       SER  21   9.761   0.369  -3.448
  160    HB2  SER  21           HB2      SER  21   9.302  -1.752  -5.451
  161    HB3  SER  21           HB1      SER  21  10.911  -1.096  -5.232
  162    HG   SER  21           HG       SER  21  10.899  -1.814  -3.141
  163    H    GLU  22           HN       GLU  22   8.150   0.388  -6.563
  164    HA   GLU  22           HA       GLU  22   9.923   1.991  -7.984
  165    HB2  GLU  22           HB2      GLU  22   6.925   1.739  -8.162
  166    HB3  GLU  22           HB1      GLU  22   7.886   2.653  -9.321
  167    HG2  GLU  22           HG2      GLU  22   9.099   0.625  -9.922
  168    HG3  GLU  22           HG1      GLU  22   8.150  -0.296  -8.754
  169    H    GLU  23           HN       GLU  23   7.019   3.028  -6.207
  170    HA   GLU  23           HA       GLU  23   7.513   5.774  -6.823
  171    HB2  GLU  23           HB2      GLU  23   5.519   4.609  -4.860
  172    HB3  GLU  23           HB1      GLU  23   5.445   6.199  -5.601
  173    HG2  GLU  23           HG2      GLU  23   5.336   3.592  -7.087
  174    HG3  GLU  23           HG1      GLU  23   3.926   4.541  -6.631
  175    H    SER  24           HN       SER  24   8.302   3.712  -4.129
  176    HA   SER  24           HA       SER  24   8.953   5.909  -2.363
  177    HB2  SER  24           HB2      SER  24   9.839   4.153  -0.883
  178    HB3  SER  24           HB1      SER  24   8.211   3.770  -1.421
  179    HG   SER  24           HG       SER  24   8.960   2.162  -2.634
  180    H    GLY  25           HN       GLY  25  10.696   3.602  -4.393
  181    HA2  GLY  25           HA2      GLY  25  12.742   4.164  -5.527
  182    HA3  GLY  25           HA1      GLY  25  13.051   5.381  -4.288
  183    H    ILE  26           HN       ILE  26  11.901   2.393  -3.139
  184    HA   ILE  26           HA       ILE  26  14.608   1.678  -2.223
  185    HB   ILE  26           HB       ILE  26  12.115   0.689  -0.895
  186   HG12  ILE  26          HG12      ILE  26  13.447   3.265  -0.050
  187   HG13  ILE  26          HG11      ILE  26  12.069   3.254  -1.151
  188   HG21  ILE  26          HG21      ILE  26  13.589   0.714   1.091
  189   HG22  ILE  26          HG22      ILE  26  14.903   1.294   0.067
  190   HG23  ILE  26          HG23      ILE  26  14.199  -0.297  -0.219
  191   HD11  ILE  26          HD11      ILE  26  11.376   3.674   1.145
  192   HD12  ILE  26          HD12      ILE  26  12.104   2.149   1.653
  193   HD13  ILE  26          HD13      ILE  26  10.720   2.143   0.561
  194    H    ALA  27           HN       ALA  27  15.387  -0.164  -3.038
  195    HA   ALA  27           HA       ALA  27  14.213  -1.769  -4.923
  196    HB1  ALA  27           HB1      ALA  27  15.997  -3.363  -4.487
  197    HB2  ALA  27           HB2      ALA  27  16.315  -2.608  -2.926
  198    HB3  ALA  27           HB3      ALA  27  16.618  -1.715  -4.415
  199    H    LEU  28           HN       LEU  28  13.158  -3.693  -4.981
  200    HA   LEU  28           HA       LEU  28  11.198  -4.286  -3.100
  201    HB2  LEU  28           HB2      LEU  28  11.057  -5.009  -5.394
  202    HB3  LEU  28           HB1      LEU  28  12.502  -5.981  -5.235
  203    HG   LEU  28           HG       LEU  28  11.127  -7.334  -3.500
  204   HD11  LEU  28          HD11      LEU  28   8.892  -6.050  -5.064
  205   HD12  LEU  28          HD12      LEU  28   9.256  -5.729  -3.370
  206   HD13  LEU  28          HD13      LEU  28   8.731  -7.337  -3.870
  207   HD21  LEU  28          HD21      LEU  28  10.528  -7.405  -6.455
  208   HD22  LEU  28          HD22      LEU  28  10.208  -8.716  -5.319
  209   HD23  LEU  28          HD23      LEU  28  11.867  -8.209  -5.634
  210    H    GLU  29           HN       GLU  29  14.466  -5.531  -3.431
  211    HA   GLU  29           HA       GLU  29  14.126  -7.694  -1.589
  212    HB2  GLU  29           HB2      GLU  29  16.723  -6.453  -2.482
  213    HB3  GLU  29           HB1      GLU  29  16.454  -8.083  -1.882
  214    HG2  GLU  29           HG2      GLU  29  15.113  -7.110  -4.371
  215    HG3  GLU  29           HG1      GLU  29  16.752  -7.767  -4.406
  216    H    GLU  30           HN       GLU  30  14.409  -4.401  -1.161
  217    HA   GLU  30           HA       GLU  30  15.661  -4.692   1.493
  218    HB2  GLU  30           HB2      GLU  30  15.365  -2.181  -0.155
  219    HB3  GLU  30           HB1      GLU  30  16.178  -2.336   1.394
  220    HG2  GLU  30           HG2      GLU  30  17.077  -3.816  -1.051
  221    HG3  GLU  30           HG1      GLU  30  17.641  -2.200  -0.643
  222    H    LEU  31           HN       LEU  31  12.715  -4.357   0.006
  223    HA   LEU  31           HA       LEU  31  11.568  -2.391   1.729
  224    HB2  LEU  31           HB2      LEU  31  10.631  -2.990  -0.519
  225    HB3  LEU  31           HB1      LEU  31  10.103  -4.523   0.163
  226    HG   LEU  31           HG       LEU  31   8.745  -3.240   1.828
  227   HD11  LEU  31          HD11      LEU  31   9.943  -1.155   1.797
  228   HD12  LEU  31          HD12      LEU  31   8.267  -0.875   1.317
  229   HD13  LEU  31          HD13      LEU  31   9.546  -0.909   0.099
  230   HD21  LEU  31          HD21      LEU  31   6.986  -2.589   0.225
  231   HD22  LEU  31          HD22      LEU  31   7.667  -4.181  -0.110
  232   HD23  LEU  31          HD23      LEU  31   8.141  -2.795  -1.089
  233    H    THR  32           HN       THR  32  11.822  -2.847   3.807
  234    HA   THR  32           HA       THR  32  10.825  -5.412   4.833
  235    HB   THR  32           HB       THR  32  12.138  -4.882   6.866
  236    HG1  THR  32           HG1      THR  32  13.436  -2.741   5.633
  237   HG21  THR  32          HG21      THR  32  13.333  -6.128   5.147
  238   HG22  THR  32          HG22      THR  32  14.429  -4.957   5.877
  239   HG23  THR  32          HG23      THR  32  13.728  -4.633   4.291
  240    H    ASP  33           HN       ASP  33   9.619  -5.245   6.939
  241    HA   ASP  33           HA       ASP  33   7.567  -3.265   6.658
  242    HB2  ASP  33           HB2      ASP  33   8.016  -5.510   8.606
  243    HB3  ASP  33           HB1      ASP  33   6.712  -4.348   8.829
  244    H    ASP  34           HN       ASP  34  10.545  -3.181   7.979
  245    HA   ASP  34           HA       ASP  34  10.000  -1.727  10.404
  246    HB2  ASP  34           HB2      ASP  34  12.600  -2.166   8.918
  247    HB3  ASP  34           HB1      ASP  34  12.448  -1.522  10.552
  248    H    SER  35           HN       SER  35  10.474  -0.945   7.063
  249    HA   SER  35           HA       SER  35  11.497   1.721   7.604
  250    HB2  SER  35           HB2      SER  35  10.549   0.606   4.946
  251    HB3  SER  35           HB1      SER  35  11.588   2.003   5.211
  252    HG   SER  35           HG       SER  35  12.583  -0.202   6.418
  253    H    ASN  36           HN       ASN  36  10.485   3.645   6.979
  254    HA   ASN  36           HA       ASN  36   7.585   3.518   7.555
  255    HB2  ASN  36           HB2      ASN  36   9.109   4.415   9.380
  256    HB3  ASN  36           HB1      ASN  36   9.518   5.728   8.301
  257   HD21  ASN  36          HD21      ASN  36   6.938   4.418  10.331
  258   HD22  ASN  36          HD22      ASN  36   5.984   5.843  10.271
  259    H    PHE  37           HN       PHE  37   6.258   4.557   6.155
  260    HA   PHE  37           HA       PHE  37   7.139   5.370   3.623
  261    HB2  PHE  37           HB2      PHE  37   4.561   5.641   5.115
  262    HB3  PHE  37           HB1      PHE  37   4.768   6.499   3.587
  263    HD1  PHE  37           HD1      PHE  37   5.358   5.161   1.521
  264    HD2  PHE  37           HD2      PHE  37   4.127   3.379   5.176
  265    HE1  PHE  37           HE1      PHE  37   4.765   3.096   0.309
  266    HE2  PHE  37           HE2      PHE  37   3.533   1.329   3.988
  267    HZ   PHE  37           HZ       PHE  37   4.043   1.181   1.449
  268    H    ALA  38           HN       ALA  38   6.188   7.346   6.439
  269    HA   ALA  38           HA       ALA  38   6.566   9.828   5.073
  270    HB1  ALA  38           HB1      ALA  38   6.340  10.845   7.297
  271    HB2  ALA  38           HB2      ALA  38   6.356   9.235   8.016
  272    HB3  ALA  38           HB3      ALA  38   5.046   9.704   6.932
  273    H    ASP  39           HN       ASP  39   8.628   7.751   7.001
  274    HA   ASP  39           HA       ASP  39  10.717   9.642   7.417
  275    HB2  ASP  39           HB2      ASP  39  10.613   7.652   8.817
  276    HB3  ASP  39           HB1      ASP  39  10.756   6.607   7.406
  277    H    MET  40           HN       MET  40   9.828   7.521   4.837
  278    HA   MET  40           HA       MET  40  12.411   7.665   3.563
  279    HB2  MET  40           HB2      MET  40   9.823   6.341   2.866
  280    HB3  MET  40           HB1      MET  40  11.124   6.457   1.682
  281    HG2  MET  40           HG2      MET  40  11.460   5.315   4.429
  282    HG3  MET  40           HG1      MET  40  11.075   4.339   3.010
  283    HE1  MET  40           HE1      MET  40  13.605   3.849   4.944
  284    HE2  MET  40           HE2      MET  40  14.864   3.513   3.757
  285    HE3  MET  40           HE3      MET  40  13.252   2.831   3.543
  286    H    GLY  41           HN       GLY  41   9.521   9.479   3.509
  287    HA2  GLY  41           HA2      GLY  41   9.582  11.704   2.567
  288    HA3  GLY  41           HA1      GLY  41  10.670  11.100   1.325
  289    H    ILE  42           HN       ILE  42   7.826   9.287   2.223
  290    HA   ILE  42           HA       ILE  42   6.794   9.462  -0.444
  291    HB   ILE  42           HB       ILE  42   5.600   8.268   2.070
  292   HG12  ILE  42          HG12      ILE  42   7.701   7.258   1.196
  293   HG13  ILE  42          HG11      ILE  42   6.328   6.153   1.168
  294   HG21  ILE  42          HG21      ILE  42   4.024   7.120   0.609
  295   HG22  ILE  42          HG22      ILE  42   4.670   7.990  -0.783
  296   HG23  ILE  42          HG23      ILE  42   3.834   8.869   0.497
  297   HD11  ILE  42          HD11      ILE  42   7.462   7.665  -1.176
  298   HD12  ILE  42          HD12      ILE  42   6.061   6.595  -1.230
  299   HD13  ILE  42          HD13      ILE  42   7.655   5.944  -0.844
  300    H    ASP  43           HN       ASP  43   5.874  11.263  -1.135
  301    HA   ASP  43           HA       ASP  43   4.609  13.136   0.692
  302    HB2  ASP  43           HB2      ASP  43   5.015  13.229  -2.308
  303    HB3  ASP  43           HB1      ASP  43   4.297  14.525  -1.362
  304    H    SER  44           HN       SER  44   2.559  14.215  -0.288
  305    HA   SER  44           HA       SER  44   0.424  12.379  -0.298
  306    HB2  SER  44           HB2      SER  44   0.043  14.613   0.454
  307    HB3  SER  44           HB1      SER  44   0.594  15.294  -1.075
  308    H    LEU  45           HN       LEU  45   2.408  13.734  -2.794
  309    HA   LEU  45           HA       LEU  45   0.770  13.169  -5.028
  310    HB2  LEU  45           HB2      LEU  45   2.806  14.707  -4.908
  311    HB3  LEU  45           HB1      LEU  45   3.797  13.265  -4.975
  312    HG   LEU  45           HG       LEU  45   3.532  14.533  -7.134
  313   HD11  LEU  45          HD11      LEU  45   2.621  11.661  -7.173
  314   HD12  LEU  45          HD12      LEU  45   4.296  12.211  -7.084
  315   HD13  LEU  45          HD13      LEU  45   3.330  12.555  -8.517
  316   HD21  LEU  45          HD21      LEU  45   1.480  14.208  -8.409
  317   HD22  LEU  45          HD22      LEU  45   1.178  15.098  -6.917
  318   HD23  LEU  45          HD23      LEU  45   0.747  13.392  -7.028
  319    H    SER  46           HN       SER  46   3.683  11.441  -3.851
  320    HA   SER  46           HA       SER  46   3.389   9.297  -5.653
  321    HB2  SER  46           HB2      SER  46   5.014   8.187  -3.898
  322    HB3  SER  46           HB1      SER  46   5.560   9.524  -4.913
  323    HG   SER  46           HG       SER  46   6.004  10.477  -3.103
  324    H    SER  47           HN       SER  47   2.372   9.641  -2.280
  325    HA   SER  47           HA       SER  47   1.597   6.959  -1.926
  326    HB2  SER  47           HB2      SER  47   0.238   7.840  -0.026
  327    HB3  SER  47           HB1      SER  47   1.907   8.409  -0.019
  328    HG   SER  47           HG       SER  47   1.267  10.391  -0.528
  329    H    MET  48           HN       MET  48   0.011   9.678  -3.405
  330    HA   MET  48           HA       MET  48  -2.601   8.501  -3.507
  331    HB2  MET  48           HB2      MET  48  -2.067  10.974  -3.624
  332    HB3  MET  48           HB1      MET  48  -1.485  10.698  -5.253
  333    HG2  MET  48           HG2      MET  48  -3.741  11.566  -5.324
  334    HG3  MET  48           HG1      MET  48  -3.710   9.903  -5.911
  335    HE1  MET  48           HE1      MET  48  -5.240  11.131  -1.737
  336    HE2  MET  48           HE2      MET  48  -4.696  12.289  -2.955
  337    HE3  MET  48           HE3      MET  48  -3.540  11.191  -2.201
  338    H    VAL  49           HN       VAL  49   0.223   8.649  -5.535
  339    HA   VAL  49           HA       VAL  49  -1.058   7.712  -7.909
  340    HB   VAL  49           HB       VAL  49   1.860   7.979  -7.117
  341   HG11  VAL  49          HG11      VAL  49   2.533   7.441  -9.311
  342   HG12  VAL  49          HG12      VAL  49   0.875   7.435  -9.905
  343   HG13  VAL  49          HG13      VAL  49   1.425   6.158  -8.824
  344   HG21  VAL  49          HG21      VAL  49   0.652  10.097  -7.429
  345   HG22  VAL  49          HG22      VAL  49   0.148   9.577  -9.036
  346   HG23  VAL  49          HG23      VAL  49   1.854   9.856  -8.695
  347    H    ILE  50           HN       ILE  50   0.790   6.256  -5.270
  348    HA   ILE  50           HA       ILE  50   0.951   3.651  -6.235
  349    HB   ILE  50           HB       ILE  50   0.566   4.542  -3.374
  350   HG12  ILE  50          HG12      ILE  50   3.105   3.825  -4.848
  351   HG13  ILE  50          HG11      ILE  50   2.558   5.477  -4.579
  352   HG21  ILE  50          HG21      ILE  50   1.607   2.365  -2.800
  353   HG22  ILE  50          HG22      ILE  50   1.506   1.909  -4.501
  354   HG23  ILE  50          HG23      ILE  50   0.032   2.201  -3.578
  355   HD11  ILE  50          HD11      ILE  50   4.280   4.787  -2.987
  356   HD12  ILE  50          HD12      ILE  50   3.225   3.491  -2.419
  357   HD13  ILE  50          HD13      ILE  50   2.754   5.174  -2.190
  358    H    GLY  51           HN       GLY  51  -1.602   5.173  -4.279
  359    HA2  GLY  51           HA2      GLY  51  -3.295   2.961  -4.057
  360    HA3  GLY  51           HA1      GLY  51  -3.811   4.638  -3.975
  361    H    SER  52           HN       SER  52  -3.071   5.399  -6.610
  362    HA   SER  52           HA       SER  52  -5.295   4.495  -8.103
  363    HB2  SER  52           HB2      SER  52  -3.761   6.632  -8.461
  364    HB3  SER  52           HB1      SER  52  -2.911   5.545  -9.566
  365    HG   SER  52           HG       SER  52  -4.529   5.560 -10.901
  366    H    ARG  53           HN       ARG  53  -1.846   3.606  -8.296
  367    HA   ARG  53           HA       ARG  53  -2.073   1.896 -10.511
  368    HB2  ARG  53           HB2      ARG  53  -0.091   1.698  -8.245
  369    HB3  ARG  53           HB1      ARG  53   0.072   0.962  -9.835
  370    HG2  ARG  53           HG2      ARG  53  -0.072   3.341 -10.744
  371    HG3  ARG  53           HG1      ARG  53   0.217   3.856  -9.082
  372    HD2  ARG  53           HD2      ARG  53   2.388   3.728  -9.774
  373    HD3  ARG  53           HD1      ARG  53   2.124   2.064  -9.256
  374    HE   ARG  53           HE       ARG  53   1.455   2.255 -11.984
  375   HH11  ARG  53          HH11      ARG  53   4.271   2.492  -9.926
  376   HH12  ARG  53          HH12      ARG  53   5.328   1.670 -11.039
  377   HH21  ARG  53          HH21      ARG  53   2.845   1.136 -13.453
  378   HH22  ARG  53          HH22      ARG  53   4.518   0.926 -13.035
  379    H    PHE  54           HN       PHE  54  -2.580   1.343  -7.079
  380    HA   PHE  54           HA       PHE  54  -2.773  -1.439  -6.996
  381    HB2  PHE  54           HB2      PHE  54  -4.306   0.737  -5.557
  382    HB3  PHE  54           HB1      PHE  54  -4.648  -0.960  -5.278
  383    HD1  PHE  54           HD1      PHE  54  -1.250  -0.893  -5.880
  384    HD2  PHE  54           HD2      PHE  54  -4.107   0.270  -2.954
  385    HE1  PHE  54           HE1      PHE  54   0.501  -0.961  -4.150
  386    HE2  PHE  54           HE2      PHE  54  -2.367   0.198  -1.219
  387    HZ   PHE  54           HZ       PHE  54  -0.062  -0.421  -1.819
  388    H    ARG  55           HN       ARG  55  -5.075   0.976  -8.133
  389    HA   ARG  55           HA       ARG  55  -7.199  -0.954  -8.465
  390    HB2  ARG  55           HB2      ARG  55  -7.130   1.885  -9.496
  391    HB3  ARG  55           HB1      ARG  55  -8.540   0.892  -9.164
  392    HG2  ARG  55           HG2      ARG  55  -8.139   1.019  -6.805
  393    HG3  ARG  55           HG1      ARG  55  -6.614   1.867  -7.065
  394    HD2  ARG  55           HD2      ARG  55  -9.341   2.886  -7.864
  395    HD3  ARG  55           HD1      ARG  55  -8.454   3.377  -6.421
  396    HE   ARG  55           HE       ARG  55  -6.715   3.891  -8.447
  397   HH11  ARG  55          HH11      ARG  55 -10.044   4.801  -7.842
  398   HH12  ARG  55          HH12      ARG  55  -9.912   6.323  -8.668
  399   HH21  ARG  55          HH21      ARG  55  -6.532   5.913  -9.535
  400   HH22  ARG  55          HH22      ARG  55  -7.927   6.953  -9.623
  401    H    GLU  56           HN       GLU  56  -4.794   0.625 -10.452
  402    HA   GLU  56           HA       GLU  56  -6.192  -0.011 -12.904
  403    HB2  GLU  56           HB2      GLU  56  -3.553   1.387 -12.442
  404    HB3  GLU  56           HB1      GLU  56  -4.385   1.267 -13.986
  405    HG2  GLU  56           HG2      GLU  56  -6.228   2.573 -13.153
  406    HG3  GLU  56           HG1      GLU  56  -5.528   2.586 -11.539
  407    H    ASP  57           HN       ASP  57  -3.075  -0.786 -11.416
  408    HA   ASP  57           HA       ASP  57  -2.370  -2.589 -13.563
  409    HB2  ASP  57           HB2      ASP  57  -0.740  -1.120 -12.300
  410    HB3  ASP  57           HB1      ASP  57  -0.947  -2.199 -10.925
  411    H    LEU  58           HN       LEU  58  -3.086  -2.874 -10.103
  412    HA   LEU  58           HA       LEU  58  -2.975  -5.766 -10.239
  413    HB2  LEU  58           HB2      LEU  58  -3.360  -3.789  -8.016
  414    HB3  LEU  58           HB1      LEU  58  -3.715  -5.487  -7.763
  415    HG   LEU  58           HG       LEU  58  -1.396  -6.069  -8.284
  416   HD11  LEU  58          HD11      LEU  58   0.306  -4.370  -8.568
  417   HD12  LEU  58          HD12      LEU  58  -0.918  -3.101  -8.488
  418   HD13  LEU  58          HD13      LEU  58  -0.910  -4.235  -9.839
  419   HD21  LEU  58          HD21      LEU  58  -2.040  -5.605  -5.981
  420   HD22  LEU  58          HD22      LEU  58  -1.638  -3.900  -6.209
  421   HD23  LEU  58          HD23      LEU  58  -0.370  -5.125  -6.290
  422    H    GLY  59           HN       GLY  59  -5.419  -3.355  -9.276
  423    HA2  GLY  59           HA2      GLY  59  -7.670  -3.581 -10.232
  424    HA3  GLY  59           HA1      GLY  59  -7.486  -5.320 -10.044
  425    H    LEU  60           HN       LEU  60  -6.429  -3.043  -7.628
  426    HA   LEU  60           HA       LEU  60  -8.259  -4.242  -5.705
  427    HB2  LEU  60           HB2      LEU  60  -6.059  -2.216  -5.304
  428    HB3  LEU  60           HB1      LEU  60  -6.913  -3.076  -4.040
  429    HG   LEU  60           HG       LEU  60  -5.153  -4.397  -6.102
  430   HD11  LEU  60          HD11      LEU  60  -4.588  -3.646  -3.234
  431   HD12  LEU  60          HD12      LEU  60  -3.850  -2.935  -4.668
  432   HD13  LEU  60          HD13      LEU  60  -3.540  -4.624  -4.262
  433   HD21  LEU  60          HD21      LEU  60  -5.361  -6.351  -4.709
  434   HD22  LEU  60          HD22      LEU  60  -6.974  -5.781  -5.128
  435   HD23  LEU  60          HD23      LEU  60  -6.313  -5.457  -3.525
  436    H    ASP  61           HN       ASP  61 -10.013  -3.161  -4.875
  437    HA   ASP  61           HA       ASP  61 -10.417  -0.437  -5.844
  438    HB2  ASP  61           HB2      ASP  61 -12.790  -0.776  -5.430
  439    HB3  ASP  61           HB1      ASP  61 -12.146  -2.060  -6.449
  440    H    LEU  62           HN       LEU  62  -9.247   0.713  -4.392
  441    HA   LEU  62           HA       LEU  62  -9.812   0.467  -1.557
  442    HB2  LEU  62           HB2      LEU  62  -7.970   2.258  -3.126
  443    HB3  LEU  62           HB1      LEU  62  -8.211   2.434  -1.401
  444    HG   LEU  62           HG       LEU  62  -6.191   1.243  -1.667
  445   HD11  LEU  62          HD11      LEU  62  -8.349  -0.764  -1.065
  446   HD12  LEU  62          HD12      LEU  62  -7.616   0.359   0.082
  447   HD13  LEU  62          HD13      LEU  62  -6.643  -0.920  -0.647
  448   HD21  LEU  62          HD21      LEU  62  -5.928  -0.747  -3.018
  449   HD22  LEU  62          HD22      LEU  62  -6.498   0.593  -4.014
  450   HD23  LEU  62          HD23      LEU  62  -7.621  -0.669  -3.508
  451    H    GLY  63           HN       GLY  63  -9.585   3.353  -3.603
  452    HA2  GLY  63           HA2      GLY  63 -12.051   4.286  -3.870
  453    HA3  GLY  63           HA1      GLY  63 -11.788   4.550  -2.151
  454    HA   PRO  64           HA       PRO  64  -9.843   8.041  -4.607
  455    HB2  PRO  64           HB2      PRO  64 -11.765   9.911  -4.592
  456    HB3  PRO  64           HB1      PRO  64 -11.744   8.607  -5.788
  457    HG2  PRO  64           HG2      PRO  64 -13.393   8.878  -3.323
  458    HG3  PRO  64           HG1      PRO  64 -13.862   8.257  -4.911
  459    HD2  PRO  64           HD2      PRO  64 -13.173   6.706  -2.713
  460    HD3  PRO  64           HD1      PRO  64 -13.169   6.150  -4.402
  461    H    GLU  65           HN       GLU  65 -10.741   7.290  -1.648
  462    HA   GLU  65           HA       GLU  65  -9.974   9.861  -0.435
  463    HB2  GLU  65           HB2      GLU  65 -12.322   9.036  -0.019
  464    HB3  GLU  65           HB1      GLU  65 -11.625   7.653   0.813
  465    HG2  GLU  65           HG2      GLU  65 -10.648   9.126   2.487
  466    HG3  GLU  65           HG1      GLU  65 -11.299  10.534   1.642
  467    H    PHE  66           HN       PHE  66  -8.735   6.994  -1.244
  468    HA   PHE  66           HA       PHE  66  -7.512   6.299   1.303
  469    HB2  PHE  66           HB2      PHE  66  -8.397   4.514  -0.175
  470    HB3  PHE  66           HB1      PHE  66  -7.235   4.979  -1.411
  471    HD1  PHE  66           HD2      PHE  66  -7.628   3.487   1.922
  472    HD2  PHE  66           HD1      PHE  66  -4.961   4.297  -1.295
  473    HE1  PHE  66           HE2      PHE  66  -5.980   1.958   2.907
  474    HE2  PHE  66           HE1      PHE  66  -3.308   2.765  -0.316
  475    HZ   PHE  66           HZ       PHE  66  -3.806   1.572   1.744
  476    H    SER  67           HN       SER  67  -5.681   7.195   1.911
  477    HA   SER  67           HA       SER  67  -3.606   7.658  -0.102
  478    HB2  SER  67           HB2      SER  67  -4.672   9.838   0.294
  479    HB3  SER  67           HB1      SER  67  -4.401   9.663   2.027
  480    HG   SER  67           HG       SER  67  -2.682  10.476   0.064
  481    H    LEU  68           HN       LEU  68  -1.788   6.669   0.486
  482    HA   LEU  68           HA       LEU  68  -1.439   5.351   2.945
  483    HB2  LEU  68           HB2      LEU  68   0.641   6.217   0.943
  484    HB3  LEU  68           HB1      LEU  68   0.920   5.078   2.242
  485    HG   LEU  68           HG       LEU  68  -0.936   4.679  -0.106
  486   HD11  LEU  68          HD11      LEU  68   1.789   3.631   0.584
  487   HD12  LEU  68          HD12      LEU  68   1.261   4.452  -0.890
  488   HD13  LEU  68          HD13      LEU  68   0.717   2.805  -0.548
  489   HD21  LEU  68          HD21      LEU  68  -1.797   3.605   1.907
  490   HD22  LEU  68          HD22      LEU  68  -0.239   2.821   2.162
  491   HD23  LEU  68          HD23      LEU  68  -1.213   2.409   0.750
  492    H    PHE  69           HN       PHE  69  -0.439   8.496   1.808
  493    HA   PHE  69           HA       PHE  69   1.413   9.110   3.846
  494    HB2  PHE  69           HB2      PHE  69   1.291  10.242   1.649
  495    HB3  PHE  69           HB1      PHE  69  -0.256  10.950   2.098
  496    HD1  PHE  69           HD1      PHE  69   2.834  10.627   4.141
  497    HD2  PHE  69           HD2      PHE  69   0.149  13.202   2.090
  498    HE1  PHE  69           HE1      PHE  69   4.019  12.581   5.064
  499    HE2  PHE  69           HE2      PHE  69   1.318  15.169   3.015
  500    HZ   PHE  69           HZ       PHE  69   3.257  14.856   4.498
  501    H    ILE  70           HN       ILE  70  -1.900   8.651   4.078
  502    HA   ILE  70           HA       ILE  70  -2.064  10.498   6.376
  503    HB   ILE  70           HB       ILE  70  -4.322   9.760   4.477
  504   HG12  ILE  70          HG12      ILE  70  -2.973  12.404   5.087
  505   HG13  ILE  70          HG11      ILE  70  -2.776  11.478   3.607
  506   HG21  ILE  70          HG21      ILE  70  -5.734  11.212   5.816
  507   HG22  ILE  70          HG22      ILE  70  -4.415  11.476   6.956
  508   HG23  ILE  70          HG23      ILE  70  -5.121   9.870   6.782
  509   HD11  ILE  70          HD11      ILE  70  -5.322  12.770   4.563
  510   HD12  ILE  70          HD12      ILE  70  -5.151  11.796   3.103
  511   HD13  ILE  70          HD13      ILE  70  -4.282  13.322   3.245
  512    H    ASP  71           HN       ASP  71  -2.958   7.302   5.105
  513    HA   ASP  71           HA       ASP  71  -3.847   6.618   7.838
  514    HB2  ASP  71           HB2      ASP  71  -5.707   6.806   6.156
  515    HB3  ASP  71           HB1      ASP  71  -5.004   5.437   5.301
  516    H    CYS  72           HN       CYS  72  -1.304   6.108   5.948
  517    HA   CYS  72           HA       CYS  72  -0.834   3.466   7.077
  518    HB2  CYS  72           HB2      CYS  72  -0.556   3.953   4.100
  519    HB3  CYS  72           HB1      CYS  72  -0.080   2.488   4.950
  520    HG   CYS  72           HG       CYS  72  -3.141   2.858   5.777
  521    H    THR  73           HN       THR  73   0.726   4.429   8.353
  522    HA   THR  73           HA       THR  73   2.704   6.166   7.124
  523    HB   THR  73           HB       THR  73   3.572   6.281   9.526
  524    HG1  THR  73           HG1      THR  73   2.267   5.409  11.110
  525   HG21  THR  73          HG21      THR  73   1.774   7.800  10.219
  526   HG22  THR  73          HG22      THR  73   0.706   7.110   8.999
  527   HG23  THR  73          HG23      THR  73   2.134   8.017   8.505
  528    H    THR  74           HN       THR  74   2.586   2.902   8.479
  529    HA   THR  74           HA       THR  74   5.424   2.601   7.779
  530    HB   THR  74           HB       THR  74   5.389   0.533   9.130
  531    HG1  THR  74           HG1      THR  74   3.365   0.660  10.651
  532   HG21  THR  74          HG21      THR  74   5.342   1.618  11.300
  533   HG22  THR  74          HG22      THR  74   4.428   2.968  10.627
  534   HG23  THR  74          HG23      THR  74   6.091   2.679  10.102
  535    H    VAL  75           HN       VAL  75   5.895   0.191   7.058
  536    HA   VAL  75           HA       VAL  75   4.430  -0.014   4.617
  537    HB   VAL  75           HB       VAL  75   6.929  -1.248   5.653
  538   HG11  VAL  75          HG11      VAL  75   5.431  -2.179   3.208
  539   HG12  VAL  75          HG12      VAL  75   5.829  -3.137   4.635
  540   HG13  VAL  75          HG13      VAL  75   7.111  -2.567   3.570
  541   HG21  VAL  75          HG21      VAL  75   7.059   0.919   4.598
  542   HG22  VAL  75          HG22      VAL  75   6.163   0.327   3.194
  543   HG23  VAL  75          HG23      VAL  75   7.790  -0.281   3.531
  544    H    ARG  76           HN       ARG  76   4.922  -2.003   7.487
  545    HA   ARG  76           HA       ARG  76   3.419  -4.220   6.686
  546    HB2  ARG  76           HB2      ARG  76   4.819  -4.361   8.635
  547    HB3  ARG  76           HB1      ARG  76   3.904  -3.085   9.435
  548    HG2  ARG  76           HG2      ARG  76   2.067  -4.465   9.811
  549    HG3  ARG  76           HG1      ARG  76   2.574  -5.625   8.580
  550    HD2  ARG  76           HD2      ARG  76   4.038  -5.101  11.155
  551    HD3  ARG  76           HD1      ARG  76   2.910  -6.427  10.890
  552    HE   ARG  76           HE       ARG  76   4.939  -6.408   8.897
  553   HH11  ARG  76          HH11      ARG  76   4.393  -7.269  12.242
  554   HH12  ARG  76          HH12      ARG  76   5.628  -8.490  12.262
  555   HH21  ARG  76          HH21      ARG  76   6.559  -7.969   8.908
  556   HH22  ARG  76          HH22      ARG  76   6.890  -8.871  10.365
  557    H    ALA  77           HN       ALA  77   2.476  -1.121   7.952
  558    HA   ALA  77           HA       ALA  77  -0.182  -1.590   8.605
  559    HB1  ALA  77           HB1      ALA  77  -0.541   0.784   8.244
  560    HB2  ALA  77           HB2      ALA  77   0.965   0.893   7.330
  561    HB3  ALA  77           HB3      ALA  77   1.003   0.516   9.052
  562    H    LEU  78           HN       LEU  78   1.343  -1.202   5.478
  563    HA   LEU  78           HA       LEU  78  -1.136  -1.073   3.994
  564    HB2  LEU  78           HB2      LEU  78   1.459  -0.392   3.496
  565    HB3  LEU  78           HB1      LEU  78   1.339  -1.899   2.628
  566    HG   LEU  78           HG       LEU  78  -0.497   0.443   2.202
  567   HD11  LEU  78          HD11      LEU  78   0.907   0.770   0.131
  568   HD12  LEU  78          HD12      LEU  78   2.086  -0.334   0.849
  569   HD13  LEU  78          HD13      LEU  78   1.698   1.187   1.651
  570   HD21  LEU  78          HD21      LEU  78  -0.980  -0.651   0.076
  571   HD22  LEU  78          HD22      LEU  78  -1.418  -1.674   1.450
  572   HD23  LEU  78          HD23      LEU  78   0.056  -2.005   0.531
  573    H    LYS  79           HN       LYS  79   1.405  -3.387   4.658
  574    HA   LYS  79           HA       LYS  79   0.602  -5.546   3.109
  575    HB2  LYS  79           HB2      LYS  79   1.849  -5.719   5.852
  576    HB3  LYS  79           HB1      LYS  79   1.965  -6.912   4.558
  577    HG2  LYS  79           HG2      LYS  79   2.955  -4.137   4.102
  578    HG3  LYS  79           HG1      LYS  79   3.942  -5.258   5.034
  579    HD2  LYS  79           HD2      LYS  79   3.714  -6.866   3.094
  580    HD3  LYS  79           HD1      LYS  79   2.977  -5.537   2.193
  581    HE2  LYS  79           HE2      LYS  79   5.276  -5.553   1.613
  582    HE3  LYS  79           HE1      LYS  79   5.023  -4.184   2.710
  583    HZ1  LYS  79           HZ1      LYS  79   6.179  -6.831   3.448
  584    HZ2  LYS  79           HZ2      LYS  79   5.890  -5.554   4.538
  585    HZ3  LYS  79           HZ3      LYS  79   7.026  -5.374   3.297
  586    H    ASP  80           HN       ASP  80   0.002  -5.130   6.609
  587    HA   ASP  80           HA       ASP  80  -1.684  -7.393   6.768
  588    HB2  ASP  80           HB2      ASP  80  -0.417  -6.405   8.700
  589    HB3  ASP  80           HB1      ASP  80  -1.577  -5.080   8.711
  590    H    PHE  81           HN       PHE  81  -2.271  -4.116   5.892
  591    HA   PHE  81           HA       PHE  81  -5.055  -4.035   6.398
  592    HB2  PHE  81           HB2      PHE  81  -3.646  -2.015   5.958
  593    HB3  PHE  81           HB1      PHE  81  -3.488  -2.525   4.279
  594    HD1  PHE  81           HD1      PHE  81  -5.978  -1.528   6.847
  595    HD2  PHE  81           HD2      PHE  81  -5.083  -1.925   2.705
  596    HE1  PHE  81           HE1      PHE  81  -8.048  -0.324   6.290
  597    HE2  PHE  81           HE2      PHE  81  -7.152  -0.719   2.142
  598    HZ   PHE  81           HZ       PHE  81  -8.634   0.100   3.953
  599    H    MET  82           HN       MET  82  -3.076  -4.967   3.660
  600    HA   MET  82           HA       MET  82  -5.325  -5.419   1.955
  601    HB2  MET  82           HB2      MET  82  -2.366  -5.971   1.650
  602    HB3  MET  82           HB1      MET  82  -3.528  -6.299   0.358
  603    HG2  MET  82           HG2      MET  82  -4.053  -3.657   1.254
  604    HG3  MET  82           HG1      MET  82  -2.291  -3.790   1.135
  605    HE1  MET  82           HE1      MET  82  -1.709  -4.608  -2.584
  606    HE2  MET  82           HE2      MET  82  -1.676  -5.660  -1.167
  607    HE3  MET  82           HE3      MET  82  -0.980  -4.044  -1.077
  608    H    LEU  83           HN       LEU  83  -3.079  -7.592   3.705
  609    HA   LEU  83           HA       LEU  83  -4.417  -9.927   2.751
  610    HB2  LEU  83           HB2      LEU  83  -2.431  -9.478   4.979
  611    HB3  LEU  83           HB1      LEU  83  -3.135 -11.052   4.675
  612    HG   LEU  83           HG       LEU  83  -2.183 -10.887   2.330
  613   HD11  LEU  83          HD11      LEU  83  -0.658  -8.603   3.531
  614   HD12  LEU  83          HD12      LEU  83  -1.845  -8.499   2.230
  615   HD13  LEU  83          HD13      LEU  83  -0.328  -9.364   1.976
  616   HD21  LEU  83          HD21      LEU  83  -1.127 -12.279   4.048
  617   HD22  LEU  83          HD22      LEU  83  -0.226 -10.877   4.630
  618   HD23  LEU  83          HD23      LEU  83   0.086 -11.518   3.017
  619    H    GLY  84           HN       GLY  84  -4.526  -8.112   5.800
  620    HA2  GLY  84           HA2      GLY  84  -6.652  -7.894   6.945
  621    HA3  GLY  84           HA1      GLY  84  -7.086  -9.483   6.338
  622    H    SER  85           HN       SER  85  -6.656  -8.073   9.074
  623    HA   SER  85           HA       SER  85  -4.634  -9.627  10.390
  624    HB2  SER  85           HB2      SER  85  -6.807  -8.235  11.892
  625    HB3  SER  85           HB1      SER  85  -5.076  -8.303  12.226
  626    HG   SER  85           HG       SER  85  -4.750  -6.891  10.432
  627    H    GLY  86           HN       GLY  86  -6.292 -11.460   9.173
  628    HA2  GLY  86           HA2      GLY  86  -8.424 -12.292  10.933
  629    HA3  GLY  86           HA1      GLY  86  -7.897 -13.109   9.473
  630    H    ASP  87           HN       ASP  87  -5.085 -13.185  10.451
  631    HA   ASP  87           HA       ASP  87  -3.684 -14.637  11.490
  632    HB2  ASP  87           HB2      ASP  87  -5.902 -14.600  13.514
  633    HB3  ASP  87           HB1      ASP  87  -4.554 -15.717  13.693
  634    H    ALA  88           HN       ALA  88  -6.774 -16.171  12.270
  635    HA   ALA  88           HA       ALA  88  -7.656 -18.204  11.827
  636    HB1  ALA  88           HB1      ALA  88  -7.601 -17.414   9.502
  637    HB2  ALA  88           HB2      ALA  88  -7.371 -19.158   9.616
  638    HB3  ALA  88           HB3      ALA  88  -5.989 -18.107   9.314
  639    H    GLY  89           HN       GLY  89  -6.772 -19.310  13.546
  640    HA2  GLY  89           HA2      GLY  89  -5.129 -21.522  12.854
  641    HA3  GLY  89           HA1      GLY  89  -4.213 -20.340  13.781
  642   H282  PNS  90          H28A      PNS  44  -1.143  15.763  -4.118
  643   H281  PNS  90          H28B      PNS  44  -1.643  14.088  -3.878
  644   H303  PNS  90          H30A      PNS  44  -3.835  16.918  -4.589
  645   H302  PNS  90          H30B      PNS  44  -3.938  16.680  -6.333
  646   H301  PNS  90          H30C      PNS  44  -2.435  17.249  -5.606
  647   H313  PNS  90          H31A      PNS  44  -1.566  13.768  -6.321
  648   H312  PNS  90          H31B      PNS  44  -1.143  15.457  -6.594
  649   H311  PNS  90          H31C      PNS  44  -2.556  14.765  -7.391
  650    H32  PNS  90          H32A      PNS  44  -3.707  13.193  -5.239
  651    H33  PNS  90          H33A      PNS  44  -4.158  14.864  -3.346
  652    H36  PNS  90          H36A      PNS  44  -6.461  14.785  -5.036
  653   H372  PNS  90          H37A      PNS  44  -7.221  16.004  -7.342
  654   H371  PNS  90          H37B      PNS  44  -7.294  14.289  -7.743
  655   H382  PNS  90          H38A      PNS  44  -8.839  13.919  -5.894
  656   H381  PNS  90          H38B      PNS  44  -8.749  15.626  -5.469
  657    H41  PNS  90          H41A      PNS  44 -11.136  14.728  -5.798
  658   H422  PNS  90          H42A      PNS  44 -12.116  16.041  -8.203
  659   H421  PNS  90          H42B      PNS  44 -12.544  14.341  -8.003
  660   H431  PNS  90          H43A      PNS  44 -13.167  16.541  -6.038
  661   H432  PNS  90          H43B      PNS  44 -13.633  14.847  -5.889
  662    H44  PNS  90           H1       PNS  44 -15.899  16.344  -6.566
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1  -9.013 -10.200   8.255
    2    H2   ALA   1           HT2      ALA   1  -9.757  -9.184   7.122
    3    H3   ALA   1           HT3      ALA   1  -8.827 -10.490   6.593
    4    HA   ALA   1           HA       ALA   1 -10.405 -12.024   7.631
    5    HB1  ALA   1           HB1      ALA   1 -12.551 -11.147   8.408
    6    HB2  ALA   1           HB2      ALA   1 -11.990  -9.500   8.113
    7    HB3  ALA   1           HB3      ALA   1 -11.216 -10.486   9.350
    8    H    MET   2           HN       MET   2 -12.252 -12.785   6.426
    9    HA   MET   2           HA       MET   2 -12.390 -11.597   3.755
   10    HB2  MET   2           HB2      MET   2 -13.421 -13.661   3.033
   11    HB3  MET   2           HB1      MET   2 -11.977 -14.045   3.960
   12    HG2  MET   2           HG2      MET   2 -13.353 -14.557   5.907
   13    HG3  MET   2           HG1      MET   2 -14.804 -14.157   4.990
   14    HE1  MET   2           HE1      MET   2 -11.553 -16.134   3.880
   15    HE2  MET   2           HE2      MET   2 -12.082 -17.793   4.160
   16    HE3  MET   2           HE3      MET   2 -11.878 -16.687   5.520
   17    H    ALA   3           HN       ALA   3 -14.374 -10.925   2.839
   18    HA   ALA   3           HA       ALA   3 -16.462 -10.080   2.760
   19    HB1  ALA   3           HB1      ALA   3 -18.216 -10.852   4.235
   20    HB2  ALA   3           HB2      ALA   3 -17.015 -11.577   5.304
   21    HB3  ALA   3           HB3      ALA   3 -17.245 -12.211   3.673
   22    H    LYS   4           HN       LYS   4 -14.494  -9.703   5.415
   23    HA   LYS   4           HA       LYS   4 -15.660  -7.059   6.006
   24    HB2  LYS   4           HB2      LYS   4 -15.886  -8.582   7.959
   25    HB3  LYS   4           HB1      LYS   4 -14.147  -8.849   7.936
   26    HG2  LYS   4           HG2      LYS   4 -14.690  -7.285   9.668
   27    HG3  LYS   4           HG1      LYS   4 -13.821  -6.434   8.393
   28    HD2  LYS   4           HD2      LYS   4 -15.845  -5.481   7.559
   29    HD3  LYS   4           HD1      LYS   4 -16.823  -6.491   8.625
   30    HE2  LYS   4           HE2      LYS   4 -15.837  -5.368  10.570
   31    HE3  LYS   4           HE1      LYS   4 -14.896  -4.340   9.491
   32    HZ1  LYS   4           HZ1      LYS   4 -17.861  -4.461   9.527
   33    HZ2  LYS   4           HZ2      LYS   4 -16.899  -3.389   8.633
   34    HZ3  LYS   4           HZ3      LYS   4 -16.945  -3.277  10.325
   35    H    GLY   5           HN       GLY   5 -14.433  -5.979   4.537
   36    HA2  GLY   5           HA2      GLY   5 -12.443  -4.731   4.122
   37    HA3  GLY   5           HA1      GLY   5 -11.522  -5.983   4.953
   38    H    VAL   6           HN       VAL   6 -10.225  -5.707   2.887
   39    HA   VAL   6           HA       VAL   6 -11.379  -6.839   0.505
   40    HB   VAL   6           HB       VAL   6  -8.489  -6.164   1.023
   41   HG11  VAL   6          HG11      VAL   6  -8.804  -7.677  -0.859
   42   HG12  VAL   6          HG12      VAL   6  -8.307  -6.079  -1.418
   43   HG13  VAL   6          HG13      VAL   6  -9.995  -6.577  -1.552
   44   HG21  VAL   6          HG21      VAL   6  -9.884  -4.193   1.332
   45   HG22  VAL   6          HG22      VAL   6 -10.668  -4.491  -0.220
   46   HG23  VAL   6          HG23      VAL   6  -8.958  -4.064  -0.167
   47    H    GLY   7           HN       GLY   7  -8.237  -7.773   1.844
   48    HA2  GLY   7           HA2      GLY   7  -7.583  -9.917   2.594
   49    HA3  GLY   7           HA1      GLY   7  -9.131 -10.552   2.046
   50    H    VAL   8           HN       VAL   8  -5.856  -9.934   1.219
   51    HA   VAL   8           HA       VAL   8  -6.408 -10.688  -1.568
   52    HB   VAL   8           HB       VAL   8  -4.477  -9.528  -2.303
   53   HG11  VAL   8          HG11      VAL   8  -6.350  -8.055  -1.765
   54   HG12  VAL   8          HG12      VAL   8  -4.801  -7.247  -1.530
   55   HG13  VAL   8          HG13      VAL   8  -5.708  -7.833  -0.138
   56   HG21  VAL   8          HG21      VAL   8  -3.666  -9.229   0.589
   57   HG22  VAL   8          HG22      VAL   8  -2.828  -8.510  -0.789
   58   HG23  VAL   8          HG23      VAL   8  -2.895 -10.264  -0.620
   59    H    SER   9           HN       SER   9  -4.944 -12.147  -2.614
   60    HA   SER   9           HA       SER   9  -3.882 -14.202  -0.916
   61    HB2  SER   9           HB2      SER   9  -3.568 -13.848  -3.905
   62    HB3  SER   9           HB1      SER   9  -3.329 -15.334  -2.985
   63    HG   SER   9           HG       SER   9  -5.669 -14.870  -2.321
   64    H    ASN  10           HN       ASN  10  -1.538 -15.003  -1.574
   65    HA   ASN  10           HA       ASN  10   0.171 -12.903  -0.618
   66    HB2  ASN  10           HB2      ASN  10   0.674 -15.774  -1.396
   67    HB3  ASN  10           HB1      ASN  10   1.978 -14.695  -0.924
   68   HD21  ASN  10          HD21      ASN  10  -1.162 -14.437   0.552
   69   HD22  ASN  10          HD22      ASN  10  -0.709 -15.091   2.083
   70    H    GLU  11           HN       GLU  11  -0.748 -14.093  -3.648
   71    HA   GLU  11           HA       GLU  11   1.482 -13.271  -5.190
   72    HB2  GLU  11           HB2      GLU  11  -0.140 -14.822  -6.109
   73    HB3  GLU  11           HB1      GLU  11  -1.429 -13.628  -5.954
   74    HG2  GLU  11           HG2      GLU  11  -0.059 -12.193  -7.550
   75    HG3  GLU  11           HG1      GLU  11   0.912 -13.640  -7.829
   76    H    LYS  12           HN       LYS  12  -1.564 -11.722  -4.310
   77    HA   LYS  12           HA       LYS  12  -0.963  -9.269  -5.622
   78    HB2  LYS  12           HB2      LYS  12  -3.043 -10.168  -3.683
   79    HB3  LYS  12           HB1      LYS  12  -2.798  -8.447  -3.968
   80    HG2  LYS  12           HG2      LYS  12  -3.061  -8.834  -6.397
   81    HG3  LYS  12           HG1      LYS  12  -3.451 -10.521  -6.062
   82    HD2  LYS  12           HD2      LYS  12  -5.458  -9.936  -4.979
   83    HD3  LYS  12           HD1      LYS  12  -4.982  -8.240  -4.830
   84    HE2  LYS  12           HE2      LYS  12  -6.602  -8.436  -6.594
   85    HE3  LYS  12           HE1      LYS  12  -5.028  -8.056  -7.293
   86    HZ1  LYS  12           HZ1      LYS  12  -6.103 -10.818  -7.136
   87    HZ2  LYS  12           HZ2      LYS  12  -4.770 -10.272  -8.042
   88    HZ3  LYS  12           HZ3      LYS  12  -6.345  -9.802  -8.472
   89    H    LEU  13           HN       LEU  13  -0.183 -10.666  -2.575
   90    HA   LEU  13           HA       LEU  13   0.702  -8.269  -1.301
   91    HB2  LEU  13           HB2      LEU  13   0.194 -10.428  -0.140
   92    HB3  LEU  13           HB1      LEU  13   1.659 -11.101  -0.823
   93    HG   LEU  13           HG       LEU  13   2.610  -8.843   0.366
   94   HD11  LEU  13          HD11      LEU  13   0.542  -8.240   1.409
   95   HD12  LEU  13          HD12      LEU  13   1.640  -8.837   2.655
   96   HD13  LEU  13          HD13      LEU  13   0.341  -9.871   2.052
   97   HD21  LEU  13          HD21      LEU  13   3.615 -11.031   0.489
   98   HD22  LEU  13          HD22      LEU  13   2.319 -11.594   1.550
   99   HD23  LEU  13          HD23      LEU  13   3.442 -10.355   2.112
  100    H    ASP  14           HN       ASP  14   2.104 -10.469  -3.630
  101    HA   ASP  14           HA       ASP  14   4.777  -9.482  -3.246
  102    HB2  ASP  14           HB2      ASP  14   3.909 -11.796  -4.234
  103    HB3  ASP  14           HB1      ASP  14   4.008 -10.942  -5.745
  104    H    ALA  15           HN       ALA  15   2.018  -8.797  -5.181
  105    HA   ALA  15           HA       ALA  15   3.427  -7.351  -7.225
  106    HB1  ALA  15           HB1      ALA  15   1.307  -8.548  -7.683
  107    HB2  ALA  15           HB2      ALA  15   1.231  -6.841  -8.129
  108    HB3  ALA  15           HB3      ALA  15   0.467  -7.400  -6.643
  109    H    VAL  16           HN       VAL  16   1.678  -6.578  -4.283
  110    HA   VAL  16           HA       VAL  16   1.489  -3.807  -4.714
  111    HB   VAL  16           HB       VAL  16   0.070  -4.736  -3.051
  112   HG11  VAL  16          HG11      VAL  16   0.914  -5.774  -0.996
  113   HG12  VAL  16          HG12      VAL  16   2.570  -5.586  -1.578
  114   HG13  VAL  16          HG13      VAL  16   1.453  -6.654  -2.427
  115   HG21  VAL  16          HG21      VAL  16   0.572  -3.303  -1.111
  116   HG22  VAL  16          HG22      VAL  16   0.835  -2.452  -2.632
  117   HG23  VAL  16          HG23      VAL  16   2.215  -3.064  -1.716
  118    H    MET  17           HN       MET  17   3.956  -5.788  -3.153
  119    HA   MET  17           HA       MET  17   5.389  -3.652  -2.000
  120    HB2  MET  17           HB2      MET  17   6.377  -6.409  -2.764
  121    HB3  MET  17           HB1      MET  17   7.197  -5.287  -1.696
  122    HG2  MET  17           HG2      MET  17   5.211  -5.362  -0.204
  123    HG3  MET  17           HG1      MET  17   4.569  -6.629  -1.241
  124    HE1  MET  17           HE1      MET  17   5.729  -8.981  -1.599
  125    HE2  MET  17           HE2      MET  17   7.190  -9.499  -0.758
  126    HE3  MET  17           HE3      MET  17   7.283  -8.240  -1.988
  127    H    ARG  18           HN       ARG  18   5.487  -5.094  -5.191
  128    HA   ARG  18           HA       ARG  18   7.895  -3.690  -5.882
  129    HB2  ARG  18           HB2      ARG  18   7.407  -4.544  -8.203
  130    HB3  ARG  18           HB1      ARG  18   7.702  -5.758  -6.968
  131    HG2  ARG  18           HG2      ARG  18   5.390  -6.262  -6.805
  132    HG3  ARG  18           HG1      ARG  18   4.968  -4.876  -7.815
  133    HD2  ARG  18           HD2      ARG  18   6.587  -7.252  -8.711
  134    HD3  ARG  18           HD1      ARG  18   4.858  -7.053  -8.999
  135    HE   ARG  18           HE       ARG  18   6.543  -4.896  -9.972
  136   HH11  ARG  18          HH11      ARG  18   4.933  -7.921 -10.698
  137   HH12  ARG  18          HH12      ARG  18   4.922  -7.649 -12.416
  138   HH21  ARG  18          HH21      ARG  18   6.527  -4.526 -12.215
  139   HH22  ARG  18          HH22      ARG  18   5.804  -5.694 -13.285
  140    H    VAL  19           HN       VAL  19   4.489  -3.016  -6.033
  141    HA   VAL  19           HA       VAL  19   4.836  -0.831  -7.877
  142    HB   VAL  19           HB       VAL  19   2.570  -1.562  -5.996
  143   HG11  VAL  19          HG11      VAL  19   2.604   0.827  -6.144
  144   HG12  VAL  19          HG12      VAL  19   1.294   0.223  -7.159
  145   HG13  VAL  19          HG13      VAL  19   2.802   0.764  -7.890
  146   HG21  VAL  19          HG21      VAL  19   2.682  -1.501  -9.010
  147   HG22  VAL  19          HG22      VAL  19   1.413  -2.185  -7.989
  148   HG23  VAL  19          HG23      VAL  19   3.012  -2.934  -8.042
  149    H    VAL  20           HN       VAL  20   4.930  -1.398  -4.480
  150    HA   VAL  20           HA       VAL  20   5.081   1.318  -3.643
  151    HB   VAL  20           HB       VAL  20   5.684  -1.350  -2.359
  152   HG11  VAL  20          HG11      VAL  20   6.209  -0.199  -0.248
  153   HG12  VAL  20          HG12      VAL  20   6.220   1.343  -1.106
  154   HG13  VAL  20          HG13      VAL  20   7.415   0.110  -1.496
  155   HG21  VAL  20          HG21      VAL  20   3.361  -0.699  -2.470
  156   HG22  VAL  20          HG22      VAL  20   3.727   0.859  -1.736
  157   HG23  VAL  20          HG23      VAL  20   3.910  -0.619  -0.797
  158    H    SER  21           HN       SER  21   7.461  -1.116  -4.631
  159    HA   SER  21           HA       SER  21   9.752   0.205  -3.620
  160    HB2  SER  21           HB2      SER  21  10.992  -1.164  -5.332
  161    HB3  SER  21           HB1      SER  21   9.904  -2.140  -4.343
  162    HG   SER  21           HG       SER  21   9.785  -1.492  -7.051
  163    H    GLU  22           HN       GLU  22   8.225   0.207  -6.769
  164    HA   GLU  22           HA       GLU  22   9.982   1.876  -8.126
  165    HB2  GLU  22           HB2      GLU  22   7.010   1.577  -8.577
  166    HB3  GLU  22           HB1      GLU  22   8.198   2.122  -9.765
  167    HG2  GLU  22           HG2      GLU  22   7.862  -0.621  -8.590
  168    HG3  GLU  22           HG1      GLU  22   7.707  -0.128 -10.275
  169    H    GLU  23           HN       GLU  23   6.979   2.722  -6.427
  170    HA   GLU  23           HA       GLU  23   7.294   5.488  -7.230
  171    HB2  GLU  23           HB2      GLU  23   5.126   4.198  -5.561
  172    HB3  GLU  23           HB1      GLU  23   5.067   5.816  -6.220
  173    HG2  GLU  23           HG2      GLU  23   5.055   3.230  -7.738
  174    HG3  GLU  23           HG1      GLU  23   3.746   4.400  -7.613
  175    H    SER  24           HN       SER  24   8.300   3.635  -4.599
  176    HA   SER  24           HA       SER  24   8.348   5.950  -2.811
  177    HB2  SER  24           HB2      SER  24   9.309   3.121  -2.326
  178    HB3  SER  24           HB1      SER  24   9.222   4.410  -1.123
  179    HG   SER  24           HG       SER  24   7.119   3.053  -2.429
  180    H    GLY  25           HN       GLY  25  10.390   4.081  -4.913
  181    HA2  GLY  25           HA2      GLY  25  12.362   5.030  -5.886
  182    HA3  GLY  25           HA1      GLY  25  12.517   6.068  -4.475
  183    H    ILE  26           HN       ILE  26  11.847   3.224  -3.116
  184    HA   ILE  26           HA       ILE  26  14.673   2.709  -2.603
  185    HB   ILE  26           HB       ILE  26  12.447   1.213  -1.258
  186   HG12  ILE  26          HG12      ILE  26  13.439   3.911  -0.289
  187   HG13  ILE  26          HG11      ILE  26  11.958   3.719  -1.224
  188   HG21  ILE  26          HG21      ILE  26  14.745   0.534  -0.839
  189   HG22  ILE  26          HG22      ILE  26  14.020   1.208   0.621
  190   HG23  ILE  26          HG23      ILE  26  15.153   2.173  -0.327
  191   HD11  ILE  26          HD11      ILE  26  11.486   3.864   1.158
  192   HD12  ILE  26          HD12      ILE  26  12.556   2.497   1.471
  193   HD13  ILE  26          HD13      ILE  26  11.070   2.263   0.552
  194    H    ALA  27           HN       ALA  27  15.543   0.604  -2.690
  195    HA   ALA  27           HA       ALA  27  14.760  -0.872  -4.988
  196    HB1  ALA  27           HB1      ALA  27  17.090  -0.731  -4.258
  197    HB2  ALA  27           HB2      ALA  27  16.547  -2.409  -4.344
  198    HB3  ALA  27           HB3      ALA  27  16.683  -1.602  -2.780
  199    H    LEU  28           HN       LEU  28  13.748  -2.805  -5.158
  200    HA   LEU  28           HA       LEU  28  11.696  -3.432  -3.363
  201    HB2  LEU  28           HB2      LEU  28  12.517  -4.280  -5.885
  202    HB3  LEU  28           HB1      LEU  28  12.655  -5.720  -4.903
  203    HG   LEU  28           HG       LEU  28  10.140  -4.092  -5.263
  204   HD11  LEU  28          HD11      LEU  28  10.724  -5.248  -7.286
  205   HD12  LEU  28          HD12      LEU  28   9.369  -6.074  -6.518
  206   HD13  LEU  28          HD13      LEU  28  10.998  -6.745  -6.397
  207   HD21  LEU  28          HD21      LEU  28  10.598  -6.708  -3.819
  208   HD22  LEU  28          HD22      LEU  28   9.021  -5.995  -4.165
  209   HD23  LEU  28          HD23      LEU  28  10.141  -5.171  -3.084
  210    H    GLU  29           HN       GLU  29  14.947  -4.728  -3.737
  211    HA   GLU  29           HA       GLU  29  14.699  -6.875  -1.906
  212    HB2  GLU  29           HB2      GLU  29  17.234  -5.416  -2.628
  213    HB3  GLU  29           HB1      GLU  29  17.073  -7.069  -2.045
  214    HG2  GLU  29           HG2      GLU  29  16.015  -6.051  -4.661
  215    HG3  GLU  29           HG1      GLU  29  17.512  -6.960  -4.457
  216    H    GLU  30           HN       GLU  30  14.874  -3.537  -1.407
  217    HA   GLU  30           HA       GLU  30  15.954  -3.871   1.318
  218    HB2  GLU  30           HB2      GLU  30  15.701  -1.316  -0.285
  219    HB3  GLU  30           HB1      GLU  30  16.479  -1.495   1.285
  220    HG2  GLU  30           HG2      GLU  30  18.148  -3.000   0.199
  221    HG3  GLU  30           HG1      GLU  30  17.405  -2.603  -1.352
  222    H    LEU  31           HN       LEU  31  13.108  -3.745  -0.264
  223    HA   LEU  31           HA       LEU  31  11.679  -1.969   1.470
  224    HB2  LEU  31           HB2      LEU  31  10.866  -2.633  -0.809
  225    HB3  LEU  31           HB1      LEU  31  10.550  -4.245  -0.177
  226    HG   LEU  31           HG       LEU  31   9.027  -3.153   1.526
  227   HD11  LEU  31          HD11      LEU  31   9.958  -0.894   1.327
  228   HD12  LEU  31          HD12      LEU  31   8.215  -0.923   1.051
  229   HD13  LEU  31          HD13      LEU  31   9.322  -0.787  -0.315
  230   HD21  LEU  31          HD21      LEU  31   7.177  -2.900  -0.058
  231   HD22  LEU  31          HD22      LEU  31   8.153  -4.329  -0.400
  232   HD23  LEU  31          HD23      LEU  31   8.333  -2.883  -1.388
  233    H    THR  32           HN       THR  32  11.648  -2.377   3.543
  234    HA   THR  32           HA       THR  32  11.134  -5.131   4.430
  235    HB   THR  32           HB       THR  32  12.251  -4.538   6.537
  236    HG1  THR  32           HG1      THR  32  13.416  -2.228   5.915
  237   HG21  THR  32          HG21      THR  32  13.764  -5.411   4.877
  238   HG22  THR  32          HG22      THR  32  14.568  -4.063   5.673
  239   HG23  THR  32          HG23      THR  32  13.870  -3.845   4.066
  240    H    ASP  33           HN       ASP  33   9.786  -5.237   6.461
  241    HA   ASP  33           HA       ASP  33   7.484  -3.543   6.091
  242    HB2  ASP  33           HB2      ASP  33   6.377  -4.963   7.646
  243    HB3  ASP  33           HB1      ASP  33   7.390  -6.002   6.651
  244    H    ASP  34           HN       ASP  34  10.309  -3.328   7.845
  245    HA   ASP  34           HA       ASP  34   9.231  -1.962  10.152
  246    HB2  ASP  34           HB2      ASP  34  11.242  -3.443  10.270
  247    HB3  ASP  34           HB1      ASP  34  12.115  -2.264   9.290
  248    H    SER  35           HN       SER  35  10.333  -1.140   7.010
  249    HA   SER  35           HA       SER  35  11.221   1.522   7.547
  250    HB2  SER  35           HB2      SER  35  10.842   1.859   5.066
  251    HB3  SER  35           HB1      SER  35  11.867   0.476   5.448
  252    HG   SER  35           HG       SER  35   9.475  -0.495   5.395
  253    H    ASN  36           HN       ASN  36  10.219   3.460   7.212
  254    HA   ASN  36           HA       ASN  36   7.289   3.367   7.578
  255    HB2  ASN  36           HB2      ASN  36   8.692   4.121   9.549
  256    HB3  ASN  36           HB1      ASN  36   9.226   5.474   8.572
  257   HD21  ASN  36          HD21      ASN  36   6.645   4.273  10.567
  258   HD22  ASN  36          HD22      ASN  36   5.638   5.663  10.407
  259    H    PHE  37           HN       PHE  37   6.127   4.413   6.068
  260    HA   PHE  37           HA       PHE  37   7.273   5.373   3.717
  261    HB2  PHE  37           HB2      PHE  37   4.535   5.627   4.915
  262    HB3  PHE  37           HB1      PHE  37   4.937   6.517   3.447
  263    HD1  PHE  37           HD1      PHE  37   6.300   4.972   1.706
  264    HD2  PHE  37           HD2      PHE  37   3.455   3.607   4.558
  265    HE1  PHE  37           HE1      PHE  37   5.895   2.984   0.338
  266    HE2  PHE  37           HE2      PHE  37   3.044   1.602   3.188
  267    HZ   PHE  37           HZ       PHE  37   4.265   1.290   1.073
  268    H    ALA  38           HN       ALA  38   5.938   7.213   6.457
  269    HA   ALA  38           HA       ALA  38   6.461   9.753   5.286
  270    HB1  ALA  38           HB1      ALA  38   4.715   9.390   6.959
  271    HB2  ALA  38           HB2      ALA  38   5.836  10.659   7.448
  272    HB3  ALA  38           HB3      ALA  38   5.949   9.056   8.171
  273    H    ASP  39           HN       ASP  39   8.278   7.577   7.309
  274    HA   ASP  39           HA       ASP  39  10.268   9.456   8.128
  275    HB2  ASP  39           HB2      ASP  39   9.831   7.368   9.383
  276    HB3  ASP  39           HB1      ASP  39  10.415   6.428   8.010
  277    H    MET  40           HN       MET  40   9.765   7.454   5.367
  278    HA   MET  40           HA       MET  40  12.493   7.685   4.432
  279    HB2  MET  40           HB2      MET  40  10.023   6.362   3.388
  280    HB3  MET  40           HB1      MET  40  11.399   6.619   2.321
  281    HG2  MET  40           HG2      MET  40  11.644   5.271   4.980
  282    HG3  MET  40           HG1      MET  40  11.276   4.390   3.495
  283    HE1  MET  40           HE1      MET  40  15.034   3.485   4.204
  284    HE2  MET  40           HE2      MET  40  13.397   2.860   4.005
  285    HE3  MET  40           HE3      MET  40  13.815   3.804   5.438
  286    H    GLY  41           HN       GLY  41   9.539   9.404   4.101
  287    HA2  GLY  41           HA2      GLY  41   9.667  11.714   3.340
  288    HA3  GLY  41           HA1      GLY  41  10.866  11.205   2.160
  289    H    ILE  42           HN       ILE  42   8.081   9.208   2.654
  290    HA   ILE  42           HA       ILE  42   7.265   9.491  -0.058
  291    HB   ILE  42           HB       ILE  42   5.944   8.129   2.297
  292   HG12  ILE  42          HG12      ILE  42   8.100   7.228   1.486
  293   HG13  ILE  42          HG11      ILE  42   6.766   6.101   1.267
  294   HG21  ILE  42          HG21      ILE  42   5.121   8.089  -0.603
  295   HG22  ILE  42          HG22      ILE  42   4.195   8.730   0.757
  296   HG23  ILE  42          HG23      ILE  42   4.510   7.000   0.642
  297   HD11  ILE  42          HD11      ILE  42   6.637   6.746  -1.097
  298   HD12  ILE  42          HD12      ILE  42   8.219   6.093  -0.663
  299   HD13  ILE  42          HD13      ILE  42   8.008   7.833  -0.858
  300    H    ASP  43           HN       ASP  43   6.400  11.296  -0.767
  301    HA   ASP  43           HA       ASP  43   4.730  12.989   0.882
  302    HB2  ASP  43           HB2      ASP  43   5.747  13.149  -1.939
  303    HB3  ASP  43           HB1      ASP  43   4.446  14.205  -1.412
  304    H    SER  44           HN       SER  44   2.726  13.908  -0.282
  305    HA   SER  44           HA       SER  44   0.733  11.953  -0.395
  306    HB2  SER  44           HB2      SER  44  -0.554  13.946  -1.505
  307    HB3  SER  44           HB1      SER  44   0.012  14.107   0.164
  308    H    LEU  45           HN       LEU  45   2.562  13.583  -2.914
  309    HA   LEU  45           HA       LEU  45   1.155  12.841  -5.184
  310    HB2  LEU  45           HB2      LEU  45   3.166  14.390  -5.012
  311    HB3  LEU  45           HB1      LEU  45   4.180  12.963  -4.958
  312    HG   LEU  45           HG       LEU  45   4.011  14.160  -7.177
  313   HD11  LEU  45          HD11      LEU  45   4.894  11.899  -6.978
  314   HD12  LEU  45          HD12      LEU  45   3.999  12.115  -8.481
  315   HD13  LEU  45          HD13      LEU  45   3.264  11.246  -7.134
  316   HD21  LEU  45          HD21      LEU  45   2.068  13.608  -8.578
  317   HD22  LEU  45          HD22      LEU  45   1.637  14.619  -7.200
  318   HD23  LEU  45          HD23      LEU  45   1.276  12.891  -7.175
  319    H    SER  46           HN       SER  46   3.971  11.125  -3.818
  320    HA   SER  46           HA       SER  46   3.774   8.900  -5.508
  321    HB2  SER  46           HB2      SER  46   4.966   9.020  -2.732
  322    HB3  SER  46           HB1      SER  46   5.337   7.823  -3.973
  323    HG   SER  46           HG       SER  46   6.695   9.177  -4.813
  324    H    SER  47           HN       SER  47   2.497   9.501  -2.272
  325    HA   SER  47           HA       SER  47   1.513   6.959  -1.714
  326    HB2  SER  47           HB2      SER  47   0.415   9.654  -0.895
  327    HB3  SER  47           HB1      SER  47  -0.032   8.112  -0.160
  328    HG   SER  47           HG       SER  47   2.451   9.460  -0.091
  329    H    MET  48           HN       MET  48   0.073   9.595  -3.569
  330    HA   MET  48           HA       MET  48  -2.476   8.309  -3.848
  331    HB2  MET  48           HB2      MET  48  -2.062  10.799  -4.076
  332    HB3  MET  48           HB1      MET  48  -1.274  10.467  -5.602
  333    HG2  MET  48           HG2      MET  48  -3.482   9.376  -6.304
  334    HG3  MET  48           HG1      MET  48  -4.186  10.214  -4.923
  335    HE1  MET  48           HE1      MET  48  -5.907  11.398  -6.544
  336    HE2  MET  48           HE2      MET  48  -5.185  10.556  -7.916
  337    HE3  MET  48           HE3      MET  48  -5.433  12.302  -7.986
  338    H    VAL  49           HN       VAL  49   0.452   8.581  -5.738
  339    HA   VAL  49           HA       VAL  49  -0.507   7.404  -8.118
  340    HB   VAL  49           HB       VAL  49   2.284   7.662  -6.961
  341   HG11  VAL  49          HG11      VAL  49   1.559   6.716  -9.739
  342   HG12  VAL  49          HG12      VAL  49   2.195   5.700  -8.444
  343   HG13  VAL  49          HG13      VAL  49   3.184   6.997  -9.113
  344   HG21  VAL  49          HG21      VAL  49   2.565   9.345  -8.740
  345   HG22  VAL  49          HG22      VAL  49   1.258   9.770  -7.637
  346   HG23  VAL  49          HG23      VAL  49   0.887   9.104  -9.227
  347    H    ILE  50           HN       ILE  50   1.108   6.047  -5.266
  348    HA   ILE  50           HA       ILE  50   1.337   3.417  -6.109
  349    HB   ILE  50           HB       ILE  50   0.855   4.446  -3.310
  350   HG12  ILE  50          HG12      ILE  50   3.438   3.702  -4.698
  351   HG13  ILE  50          HG11      ILE  50   2.857   5.352  -4.512
  352   HG21  ILE  50          HG21      ILE  50   1.903   1.778  -4.249
  353   HG22  ILE  50          HG22      ILE  50   0.363   2.074  -3.447
  354   HG23  ILE  50          HG23      ILE  50   1.874   2.331  -2.574
  355   HD11  ILE  50          HD11      ILE  50   4.549   4.802  -2.861
  356   HD12  ILE  50          HD12      ILE  50   3.551   3.473  -2.274
  357   HD13  ILE  50          HD13      ILE  50   2.995   5.136  -2.095
  358    H    GLY  51           HN       GLY  51  -1.284   4.856  -4.146
  359    HA2  GLY  51           HA2      GLY  51  -2.898   2.540  -4.119
  360    HA3  GLY  51           HA1      GLY  51  -3.459   4.170  -3.788
  361    H    SER  52           HN       SER  52  -2.543   5.094  -6.457
  362    HA   SER  52           HA       SER  52  -4.884   4.608  -7.953
  363    HB2  SER  52           HB2      SER  52  -2.992   6.503  -8.185
  364    HB3  SER  52           HB1      SER  52  -2.428   5.399  -9.444
  365    HG   SER  52           HG       SER  52  -4.189   5.737 -10.606
  366    H    ARG  53           HN       ARG  53  -1.564   3.354  -8.320
  367    HA   ARG  53           HA       ARG  53  -2.145   1.703 -10.529
  368    HB2  ARG  53           HB2      ARG  53   0.024   1.374  -8.456
  369    HB3  ARG  53           HB1      ARG  53  -0.038   0.560 -10.014
  370    HG2  ARG  53           HG2      ARG  53  -0.079   2.913 -11.018
  371    HG3  ARG  53           HG1      ARG  53   0.455   3.449  -9.422
  372    HD2  ARG  53           HD2      ARG  53   2.530   3.041 -10.221
  373    HD3  ARG  53           HD1      ARG  53   2.108   1.377  -9.823
  374    HE   ARG  53           HE       ARG  53   1.233   1.478 -12.334
  375   HH11  ARG  53          HH11      ARG  53   4.209   2.729 -10.954
  376   HH12  ARG  53          HH12      ARG  53   5.164   2.388 -12.362
  377   HH21  ARG  53          HH21      ARG  53   2.482   1.010 -14.194
  378   HH22  ARG  53          HH22      ARG  53   4.179   1.386 -14.210
  379    H    PHE  54           HN       PHE  54  -2.524   1.260  -7.085
  380    HA   PHE  54           HA       PHE  54  -2.922  -1.506  -6.951
  381    HB2  PHE  54           HB2      PHE  54  -4.235   0.805  -5.507
  382    HB3  PHE  54           HB1      PHE  54  -4.685  -0.858  -5.177
  383    HD1  PHE  54           HD1      PHE  54  -1.350  -0.892  -5.997
  384    HD2  PHE  54           HD2      PHE  54  -3.935   0.249  -2.808
  385    HE1  PHE  54           HE1      PHE  54   0.525  -1.070  -4.419
  386    HE2  PHE  54           HE2      PHE  54  -2.063   0.056  -1.228
  387    HZ   PHE  54           HZ       PHE  54   0.025  -0.535  -1.869
  388    H    ARG  55           HN       ARG  55  -5.074   1.102  -7.985
  389    HA   ARG  55           HA       ARG  55  -7.286  -0.727  -8.394
  390    HB2  ARG  55           HB2      ARG  55  -7.100   2.217  -9.077
  391    HB3  ARG  55           HB1      ARG  55  -8.556   1.242  -9.049
  392    HG2  ARG  55           HG2      ARG  55  -7.376   0.959  -6.522
  393    HG3  ARG  55           HG1      ARG  55  -7.304   2.675  -6.927
  394    HD2  ARG  55           HD2      ARG  55  -9.758   0.928  -6.986
  395    HD3  ARG  55           HD1      ARG  55  -9.376   2.154  -5.779
  396    HE   ARG  55           HE       ARG  55  -9.520   3.786  -7.663
  397   HH11  ARG  55          HH11      ARG  55 -11.237   0.722  -7.827
  398   HH12  ARG  55          HH12      ARG  55 -12.456   1.330  -8.905
  399   HH21  ARG  55          HH21      ARG  55 -11.139   4.564  -9.082
  400   HH22  ARG  55          HH22      ARG  55 -12.388   3.484  -9.628
  401    H    GLU  56           HN       GLU  56  -4.881   0.952 -10.327
  402    HA   GLU  56           HA       GLU  56  -6.332   0.456 -12.783
  403    HB2  GLU  56           HB2      GLU  56  -3.647   1.755 -12.292
  404    HB3  GLU  56           HB1      GLU  56  -4.472   1.691 -13.846
  405    HG2  GLU  56           HG2      GLU  56  -6.328   2.980 -12.909
  406    HG3  GLU  56           HG1      GLU  56  -5.493   3.046 -11.358
  407    H    ASP  57           HN       ASP  57  -3.246  -0.544 -11.353
  408    HA   ASP  57           HA       ASP  57  -2.723  -2.323 -13.578
  409    HB2  ASP  57           HB2      ASP  57  -1.153  -1.636 -11.091
  410    HB3  ASP  57           HB1      ASP  57  -0.644  -2.888 -12.215
  411    H    LEU  58           HN       LEU  58  -3.271  -2.633 -10.072
  412    HA   LEU  58           HA       LEU  58  -3.219  -5.524 -10.264
  413    HB2  LEU  58           HB2      LEU  58  -3.398  -3.558  -8.015
  414    HB3  LEU  58           HB1      LEU  58  -3.914  -5.210  -7.738
  415    HG   LEU  58           HG       LEU  58  -1.681  -6.030  -8.336
  416   HD11  LEU  58          HD11      LEU  58  -1.075  -4.223  -9.911
  417   HD12  LEU  58          HD12      LEU  58   0.176  -4.547  -8.710
  418   HD13  LEU  58          HD13      LEU  58  -0.870  -3.135  -8.537
  419   HD21  LEU  58          HD21      LEU  58  -0.477  -5.122  -6.387
  420   HD22  LEU  58          HD22      LEU  58  -2.146  -5.552  -6.017
  421   HD23  LEU  58          HD23      LEU  58  -1.701  -3.862  -6.242
  422    H    GLY  59           HN       GLY  59  -5.644  -3.029  -9.530
  423    HA2  GLY  59           HA2      GLY  59  -7.892  -3.253 -10.346
  424    HA3  GLY  59           HA1      GLY  59  -7.718  -4.999 -10.230
  425    H    LEU  60           HN       LEU  60  -6.506  -3.116  -7.628
  426    HA   LEU  60           HA       LEU  60  -8.348  -4.328  -5.790
  427    HB2  LEU  60           HB2      LEU  60  -6.173  -2.272  -5.418
  428    HB3  LEU  60           HB1      LEU  60  -7.118  -2.939  -4.101
  429    HG   LEU  60           HG       LEU  60  -5.379  -4.603  -5.915
  430   HD11  LEU  60          HD11      LEU  60  -3.772  -4.609  -4.061
  431   HD12  LEU  60          HD12      LEU  60  -4.791  -3.479  -3.170
  432   HD13  LEU  60          HD13      LEU  60  -4.027  -2.976  -4.678
  433   HD21  LEU  60          HD21      LEU  60  -6.682  -5.176  -3.251
  434   HD22  LEU  60          HD22      LEU  60  -5.657  -6.277  -4.171
  435   HD23  LEU  60          HD23      LEU  60  -7.224  -5.791  -4.814
  436    H    ASP  61           HN       ASP  61 -10.040  -3.362  -4.691
  437    HA   ASP  61           HA       ASP  61 -10.681  -0.613  -5.485
  438    HB2  ASP  61           HB2      ASP  61 -12.441  -2.871  -4.526
  439    HB3  ASP  61           HB1      ASP  61 -12.991  -1.195  -4.528
  440    H    LEU  62           HN       LEU  62  -9.226   0.307  -4.001
  441    HA   LEU  62           HA       LEU  62  -9.706  -0.062  -1.158
  442    HB2  LEU  62           HB2      LEU  62  -7.915   1.875  -2.637
  443    HB3  LEU  62           HB1      LEU  62  -8.020   1.768  -0.896
  444    HG   LEU  62           HG       LEU  62  -6.023   0.685  -1.556
  445   HD11  LEU  62          HD11      LEU  62  -8.109  -1.392  -0.928
  446   HD12  LEU  62          HD12      LEU  62  -7.173  -0.438   0.225
  447   HD13  LEU  62          HD13      LEU  62  -6.364  -1.622  -0.801
  448   HD21  LEU  62          HD21      LEU  62  -6.527   0.335  -3.900
  449   HD22  LEU  62          HD22      LEU  62  -7.663  -0.945  -3.480
  450   HD23  LEU  62          HD23      LEU  62  -5.941  -1.155  -3.159
  451    H    GLY  63           HN       GLY  63 -10.541   2.061  -3.735
  452    HA2  GLY  63           HA2      GLY  63 -12.601   3.469  -3.286
  453    HA3  GLY  63           HA1      GLY  63 -11.708   4.002  -1.865
  454    HA   PRO  64           HA       PRO  64 -10.436   6.588  -5.535
  455    HB2  PRO  64           HB2      PRO  64 -12.072   8.704  -5.390
  456    HB3  PRO  64           HB1      PRO  64 -12.578   7.188  -6.164
  457    HG2  PRO  64           HG2      PRO  64 -13.240   8.243  -3.452
  458    HG3  PRO  64           HG1      PRO  64 -14.283   7.396  -4.602
  459    HD2  PRO  64           HD2      PRO  64 -13.002   6.231  -2.419
  460    HD3  PRO  64           HD1      PRO  64 -13.641   5.356  -3.825
  461    H    GLU  65           HN       GLU  65 -10.715   6.963  -2.192
  462    HA   GLU  65           HA       GLU  65  -9.038   9.387  -2.240
  463    HB2  GLU  65           HB2      GLU  65 -11.239   8.709  -0.283
  464    HB3  GLU  65           HB1      GLU  65 -10.192  10.123  -0.187
  465    HG2  GLU  65           HG2      GLU  65 -11.122  11.055  -2.160
  466    HG3  GLU  65           HG1      GLU  65 -11.959   9.555  -2.552
  467    H    PHE  66           HN       PHE  66  -8.451   6.446  -1.969
  468    HA   PHE  66           HA       PHE  66  -7.414   6.187   0.714
  469    HB2  PHE  66           HB2      PHE  66  -8.229   4.202  -0.485
  470    HB3  PHE  66           HB1      PHE  66  -7.031   4.460  -1.747
  471    HD1  PHE  66           HD2      PHE  66  -7.499   3.501   1.787
  472    HD2  PHE  66           HD1      PHE  66  -4.807   3.703  -1.507
  473    HE1  PHE  66           HE2      PHE  66  -5.912   2.067   2.996
  474    HE2  PHE  66           HE1      PHE  66  -3.227   2.268  -0.302
  475    HZ   PHE  66           HZ       PHE  66  -3.773   1.444   1.953
  476    H    SER  67           HN       SER  67  -5.619   7.217   1.321
  477    HA   SER  67           HA       SER  67  -3.432   7.446  -0.638
  478    HB2  SER  67           HB2      SER  67  -4.355   9.657   1.220
  479    HB3  SER  67           HB1      SER  67  -2.969   9.734   0.129
  480    HG   SER  67           HG       SER  67  -5.437   9.040  -0.965
  481    H    LEU  68           HN       LEU  68  -1.692   6.462   0.135
  482    HA   LEU  68           HA       LEU  68  -1.484   5.341   2.657
  483    HB2  LEU  68           HB2      LEU  68   0.720   6.103   0.757
  484    HB3  LEU  68           HB1      LEU  68   0.940   5.091   2.167
  485    HG   LEU  68           HG       LEU  68  -0.728   4.445  -0.262
  486   HD11  LEU  68          HD11      LEU  68   1.598   4.196  -0.722
  487   HD12  LEU  68          HD12      LEU  68   0.935   2.583  -0.434
  488   HD13  LEU  68          HD13      LEU  68   1.872   3.390   0.826
  489   HD21  LEU  68          HD21      LEU  68  -1.040   2.250   0.830
  490   HD22  LEU  68          HD22      LEU  68  -1.812   3.571   1.712
  491   HD23  LEU  68          HD23      LEU  68  -0.285   2.898   2.287
  492    H    PHE  69           HN       PHE  69  -0.289   8.447   1.533
  493    HA   PHE  69           HA       PHE  69   1.338   9.108   3.715
  494    HB2  PHE  69           HB2      PHE  69   1.336  10.243   1.508
  495    HB3  PHE  69           HB1      PHE  69  -0.228  10.953   1.880
  496    HD1  PHE  69           HD1      PHE  69   2.715  10.565   4.075
  497    HD2  PHE  69           HD2      PHE  69   0.215  13.233   1.911
  498    HE1  PHE  69           HE1      PHE  69   3.867  12.483   5.114
  499    HE2  PHE  69           HE2      PHE  69   1.353  15.159   2.941
  500    HZ   PHE  69           HZ       PHE  69   3.152  14.823   4.500
  501    H    ILE  70           HN       ILE  70  -2.030   8.731   3.644
  502    HA   ILE  70           HA       ILE  70  -2.318  10.434   6.042
  503    HB   ILE  70           HB       ILE  70  -4.395  10.002   3.862
  504   HG12  ILE  70          HG12      ILE  70  -2.954  12.499   4.792
  505   HG13  ILE  70          HG11      ILE  70  -2.663  11.654   3.278
  506   HG21  ILE  70          HG21      ILE  70  -5.418  10.007   6.089
  507   HG22  ILE  70          HG22      ILE  70  -5.870  11.428   5.145
  508   HG23  ILE  70          HG23      ILE  70  -4.663  11.569   6.423
  509   HD11  ILE  70          HD11      ILE  70  -4.024  13.640   2.936
  510   HD12  ILE  70          HD12      ILE  70  -5.238  13.005   4.049
  511   HD13  ILE  70          HD13      ILE  70  -4.916  12.174   2.529
  512    H    ASP  71           HN       ASP  71  -3.143   7.463   4.398
  513    HA   ASP  71           HA       ASP  71  -4.844   6.626   6.618
  514    HB2  ASP  71           HB2      ASP  71  -4.420   5.515   3.851
  515    HB3  ASP  71           HB1      ASP  71  -5.437   4.755   5.063
  516    H    CYS  72           HN       CYS  72  -1.669   6.236   5.634
  517    HA   CYS  72           HA       CYS  72  -1.364   3.833   7.245
  518    HB2  CYS  72           HB2      CYS  72  -0.347   4.070   4.402
  519    HB3  CYS  72           HB1      CYS  72   0.088   2.781   5.519
  520    HG   CYS  72           HG       CYS  72  -3.159   2.884   5.438
  521    H    THR  73           HN       THR  73   1.029   3.396   7.627
  522    HA   THR  73           HA       THR  73   2.554   5.907   7.591
  523    HB   THR  73           HB       THR  73   3.118   5.640   9.962
  524    HG1  THR  73           HG1      THR  73   1.106   3.745  10.404
  525   HG21  THR  73          HG21      THR  73   0.737   5.971  10.863
  526   HG22  THR  73          HG22      THR  73   0.211   5.704   9.189
  527   HG23  THR  73          HG23      THR  73   1.275   7.059   9.580
  528    H    THR  74           HN       THR  74   2.982   2.606   8.941
  529    HA   THR  74           HA       THR  74   5.656   2.520   7.800
  530    HB   THR  74           HB       THR  74   5.895   0.385   8.968
  531    HG1  THR  74           HG1      THR  74   3.656   0.294  10.427
  532   HG21  THR  74          HG21      THR  74   6.311   2.414  10.256
  533   HG22  THR  74          HG22      THR  74   5.593   1.171  11.285
  534   HG23  THR  74          HG23      THR  74   4.604   2.503  10.692
  535    H    VAL  75           HN       VAL  75   6.174   0.112   6.855
  536    HA   VAL  75           HA       VAL  75   4.551   0.030   4.494
  537    HB   VAL  75           HB       VAL  75   7.156  -1.232   5.256
  538   HG11  VAL  75          HG11      VAL  75   5.782  -3.049   4.229
  539   HG12  VAL  75          HG12      VAL  75   7.165  -2.580   3.240
  540   HG13  VAL  75          HG13      VAL  75   5.547  -2.024   2.816
  541   HG21  VAL  75          HG21      VAL  75   6.162   0.350   2.886
  542   HG22  VAL  75          HG22      VAL  75   7.828  -0.174   3.156
  543   HG23  VAL  75          HG23      VAL  75   7.084   0.988   4.255
  544    H    ARG  76           HN       ARG  76   5.177  -2.028   7.260
  545    HA   ARG  76           HA       ARG  76   3.693  -4.279   6.523
  546    HB2  ARG  76           HB2      ARG  76   5.177  -4.250   8.456
  547    HB3  ARG  76           HB1      ARG  76   4.140  -3.077   9.262
  548    HG2  ARG  76           HG2      ARG  76   3.552  -5.080  10.254
  549    HG3  ARG  76           HG1      ARG  76   2.308  -4.856   9.029
  550    HD2  ARG  76           HD2      ARG  76   2.968  -7.129   8.932
  551    HD3  ARG  76           HD1      ARG  76   3.652  -6.338   7.512
  552    HE   ARG  76           HE       ARG  76   5.724  -6.172   9.117
  553   HH11  ARG  76          HH11      ARG  76   3.498  -8.866   8.842
  554   HH12  ARG  76          HH12      ARG  76   4.710 -10.061   9.165
  555   HH21  ARG  76          HH21      ARG  76   7.306  -7.730   9.596
  556   HH22  ARG  76          HH22      ARG  76   6.885  -9.422   9.583
  557    H    ALA  77           HN       ALA  77   2.699  -1.169   7.854
  558    HA   ALA  77           HA       ALA  77   0.084  -1.771   8.591
  559    HB1  ALA  77           HB1      ALA  77  -0.390   0.609   8.328
  560    HB2  ALA  77           HB2      ALA  77   1.108   0.817   7.420
  561    HB3  ALA  77           HB3      ALA  77   1.164   0.356   9.120
  562    H    LEU  78           HN       LEU  78   1.421  -1.045   5.417
  563    HA   LEU  78           HA       LEU  78  -1.047  -0.984   3.993
  564    HB2  LEU  78           HB2      LEU  78   1.570  -0.480   3.375
  565    HB3  LEU  78           HB1      LEU  78   1.322  -2.011   2.577
  566    HG   LEU  78           HG       LEU  78  -0.420   0.399   2.103
  567   HD11  LEU  78          HD11      LEU  78   1.783   1.054   1.508
  568   HD12  LEU  78          HD12      LEU  78   0.967   0.611   0.008
  569   HD13  LEU  78          HD13      LEU  78   2.116  -0.502   0.757
  570   HD21  LEU  78          HD21      LEU  78   0.026  -2.133   0.515
  571   HD22  LEU  78          HD22      LEU  78  -0.949  -0.755   0.002
  572   HD23  LEU  78          HD23      LEU  78  -1.433  -1.699   1.410
  573    H    LYS  79           HN       LYS  79   1.404  -3.450   4.564
  574    HA   LYS  79           HA       LYS  79   0.394  -5.597   3.120
  575    HB2  LYS  79           HB2      LYS  79   1.717  -5.837   5.822
  576    HB3  LYS  79           HB1      LYS  79   1.731  -7.004   4.498
  577    HG2  LYS  79           HG2      LYS  79   2.958  -4.254   4.251
  578    HG3  LYS  79           HG1      LYS  79   3.894  -5.607   4.888
  579    HD2  LYS  79           HD2      LYS  79   4.427  -5.852   2.703
  580    HD3  LYS  79           HD1      LYS  79   2.885  -6.710   2.651
  581    HE2  LYS  79           HE2      LYS  79   2.998  -5.134   0.818
  582    HE3  LYS  79           HE1      LYS  79   1.767  -4.621   1.972
  583    HZ1  LYS  79           HZ1      LYS  79   3.093  -2.753   1.255
  584    HZ2  LYS  79           HZ2      LYS  79   4.515  -3.519   1.759
  585    HZ3  LYS  79           HZ3      LYS  79   3.360  -3.043   2.903
  586    H    ASP  80           HN       ASP  80   0.025  -5.075   6.606
  587    HA   ASP  80           HA       ASP  80  -1.833  -7.056   7.145
  588    HB2  ASP  80           HB2      ASP  80  -1.266  -4.415   8.455
  589    HB3  ASP  80           HB1      ASP  80  -2.539  -5.466   9.064
  590    H    PHE  81           HN       PHE  81  -2.379  -3.785   6.023
  591    HA   PHE  81           HA       PHE  81  -5.153  -3.665   6.375
  592    HB2  PHE  81           HB2      PHE  81  -3.732  -1.700   5.853
  593    HB3  PHE  81           HB1      PHE  81  -3.505  -2.318   4.218
  594    HD1  PHE  81           HD1      PHE  81  -6.004  -0.998   6.598
  595    HD2  PHE  81           HD2      PHE  81  -5.131  -1.975   2.548
  596    HE1  PHE  81           HE1      PHE  81  -8.057   0.155   5.878
  597    HE2  PHE  81           HE2      PHE  81  -7.180  -0.824   1.823
  598    HZ   PHE  81           HZ       PHE  81  -8.649   0.239   3.489
  599    H    MET  82           HN       MET  82  -3.214  -4.789   3.652
  600    HA   MET  82           HA       MET  82  -5.319  -5.185   1.829
  601    HB2  MET  82           HB2      MET  82  -2.805  -6.822   1.893
  602    HB3  MET  82           HB1      MET  82  -3.766  -6.355   0.494
  603    HG2  MET  82           HG2      MET  82  -3.138  -4.013   0.850
  604    HG3  MET  82           HG1      MET  82  -2.138  -4.506   2.220
  605    HE1  MET  82           HE1      MET  82  -2.837  -5.248  -1.538
  606    HE2  MET  82           HE2      MET  82  -1.249  -4.882  -2.220
  607    HE3  MET  82           HE3      MET  82  -2.170  -3.617  -1.399
  608    H    LEU  83           HN       LEU  83  -3.767  -7.440   4.098
  609    HA   LEU  83           HA       LEU  83  -5.323  -9.679   3.383
  610    HB2  LEU  83           HB2      LEU  83  -3.749  -9.003   5.867
  611    HB3  LEU  83           HB1      LEU  83  -4.627 -10.514   5.717
  612    HG   LEU  83           HG       LEU  83  -3.246 -11.020   3.673
  613   HD11  LEU  83          HD11      LEU  83  -1.672  -8.625   4.569
  614   HD12  LEU  83          HD12      LEU  83  -2.574  -8.792   3.062
  615   HD13  LEU  83          HD13      LEU  83  -1.159  -9.801   3.360
  616   HD21  LEU  83          HD21      LEU  83  -1.235 -11.648   4.908
  617   HD22  LEU  83          HD22      LEU  83  -2.682 -11.990   5.857
  618   HD23  LEU  83          HD23      LEU  83  -1.696 -10.573   6.227
  619    H    GLY  84           HN       GLY  84  -6.137  -6.886   5.218
  620    HA2  GLY  84           HA2      GLY  84  -8.655  -6.735   5.158
  621    HA3  GLY  84           HA1      GLY  84  -8.626  -8.258   6.026
  622    H    SER  85           HN       SER  85  -6.269  -5.797   6.847
  623    HA   SER  85           HA       SER  85  -7.501  -5.538   9.444
  624    HB2  SER  85           HB2      SER  85  -4.995  -4.280   8.291
  625    HB3  SER  85           HB1      SER  85  -5.543  -4.072   9.955
  626    HG   SER  85           HG       SER  85  -4.463  -6.317   8.690
  627    H    GLY  86           HN       GLY  86  -8.968  -4.568   7.163
  628    HA2  GLY  86           HA2      GLY  86  -9.096  -1.674   7.719
  629    HA3  GLY  86           HA1      GLY  86  -9.774  -2.471   6.300
  630    H    ASP  87           HN       ASP  87 -10.073  -3.975   9.359
  631    HA   ASP  87           HA       ASP  87 -12.878  -4.230   9.221
  632    HB2  ASP  87           HB2      ASP  87 -11.562  -5.890  10.344
  633    HB3  ASP  87           HB1      ASP  87 -10.872  -4.696  11.432
  634    H    ALA  88           HN       ALA  88 -10.911  -1.704  10.357
  635    HA   ALA  88           HA       ALA  88 -12.730  -0.729  12.372
  636    HB1  ALA  88           HB1      ALA  88 -10.333  -0.497  12.685
  637    HB2  ALA  88           HB2      ALA  88 -11.117   1.084  12.639
  638    HB3  ALA  88           HB3      ALA  88 -10.225   0.500  11.234
  639    H    GLY  89           HN       GLY  89 -12.744  -0.570   9.035
  640    HA2  GLY  89           HA2      GLY  89 -14.373   1.874   9.141
  641    HA3  GLY  89           HA1      GLY  89 -13.090   1.749   7.946
  642   H282  PNS  90          H28A      PNS  44   0.163  15.927  -4.526
  643   H281  PNS  90          H28B      PNS  44   0.266  14.394  -3.666
  644   H303  PNS  90          H30A      PNS  44  -0.334  14.143  -6.340
  645   H302  PNS  90          H30B      PNS  44  -1.871  13.281  -6.278
  646   H301  PNS  90          H30C      PNS  44  -0.581  12.870  -5.149
  647   H313  PNS  90          H31A      PNS  44  -2.931  14.759  -3.040
  648   H312  PNS  90          H31B      PNS  44  -2.114  13.210  -3.248
  649   H311  PNS  90          H31C      PNS  44  -3.431  13.663  -4.330
  650    H32  PNS  90          H32A      PNS  44  -1.585  16.395  -6.037
  651    H33  PNS  90          H33A      PNS  44  -3.213  14.289  -6.350
  652    H36  PNS  90          H36A      PNS  44  -4.751  16.225  -5.491
  653   H372  PNS  90          H37A      PNS  44  -5.361  17.294  -3.012
  654   H371  PNS  90          H37B      PNS  44  -4.977  18.658  -4.061
  655   H382  PNS  90          H38A      PNS  44  -6.710  17.987  -5.618
  656   H381  PNS  90          H38B      PNS  44  -7.039  16.543  -4.664
  657    H41  PNS  90          H41A      PNS  44  -9.135  17.923  -5.151
  658   H422  PNS  90          H42A      PNS  44 -10.030  18.923  -2.601
  659   H421  PNS  90          H42B      PNS  44 -10.030  20.119  -3.899
  660   H431  PNS  90          H43A      PNS  44 -11.477  18.677  -5.232
  661   H432  PNS  90          H43B      PNS  44 -12.213  19.075  -3.677
  662    H44  PNS  90           H1       PNS  44 -10.661  16.099  -4.384
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1 -21.742   2.587   7.466
    2    H2   ALA   1           HT2      ALA   1 -21.564   3.661   8.767
    3    H3   ALA   1           HT3      ALA   1 -20.666   2.224   8.725
    4    HA   ALA   1           HA       ALA   1 -20.430   4.446   6.790
    5    HB1  ALA   1           HB1      ALA   1 -18.268   4.892   7.848
    6    HB2  ALA   1           HB2      ALA   1 -18.605   3.649   9.054
    7    HB3  ALA   1           HB3      ALA   1 -19.603   5.101   8.981
    8    H    MET   2           HN       MET   2 -18.437   1.806   8.155
    9    HA   MET   2           HA       MET   2 -18.095   0.739   5.466
   10    HB2  MET   2           HB2      MET   2 -16.291   2.425   5.782
   11    HB3  MET   2           HB1      MET   2 -15.738   1.538   7.194
   12    HG2  MET   2           HG2      MET   2 -14.347   1.041   5.282
   13    HG3  MET   2           HG1      MET   2 -15.235  -0.396   5.785
   14    HE1  MET   2           HE1      MET   2 -16.469   2.741   3.726
   15    HE2  MET   2           HE2      MET   2 -16.258   2.156   2.076
   16    HE3  MET   2           HE3      MET   2 -14.850   2.426   3.101
   17    H    ALA   3           HN       ALA   3 -17.348  -1.439   5.444
   18    HA   ALA   3           HA       ALA   3 -16.729  -2.824   7.875
   19    HB1  ALA   3           HB1      ALA   3 -19.161  -2.729   8.097
   20    HB2  ALA   3           HB2      ALA   3 -18.643  -4.380   7.760
   21    HB3  ALA   3           HB3      ALA   3 -19.351  -3.398   6.477
   22    H    LYS   4           HN       LYS   4 -15.685  -4.727   7.414
   23    HA   LYS   4           HA       LYS   4 -14.714  -6.411   6.249
   24    HB2  LYS   4           HB2      LYS   4 -17.087  -6.478   5.125
   25    HB3  LYS   4           HB1      LYS   4 -16.258  -5.736   3.763
   26    HG2  LYS   4           HG2      LYS   4 -16.314  -8.078   3.398
   27    HG3  LYS   4           HG1      LYS   4 -14.657  -7.635   3.808
   28    HD2  LYS   4           HD2      LYS   4 -15.277  -9.667   4.969
   29    HD3  LYS   4           HD1      LYS   4 -15.054  -8.349   6.123
   30    HE2  LYS   4           HE2      LYS   4 -17.520  -8.003   6.101
   31    HE3  LYS   4           HE1      LYS   4 -17.667  -9.436   5.082
   32    HZ1  LYS   4           HZ1      LYS   4 -16.523  -9.366   7.824
   33    HZ2  LYS   4           HZ2      LYS   4 -16.649 -10.748   6.848
   34    HZ3  LYS   4           HZ3      LYS   4 -18.054  -9.967   7.409
   35    H    GLY   5           HN       GLY   5 -13.740  -6.551   3.670
   36    HA2  GLY   5           HA2      GLY   5 -12.615  -4.066   2.818
   37    HA3  GLY   5           HA1      GLY   5 -11.467  -5.021   3.743
   38    H    VAL   6           HN       VAL   6 -10.074  -5.575   2.143
   39    HA   VAL   6           HA       VAL   6 -11.131  -6.741  -0.308
   40    HB   VAL   6           HB       VAL   6  -8.286  -6.031   0.382
   41   HG11  VAL   6          HG11      VAL   6  -9.550  -6.709  -2.270
   42   HG12  VAL   6          HG12      VAL   6  -8.469  -7.755  -1.349
   43   HG13  VAL   6          HG13      VAL   6  -7.874  -6.234  -2.019
   44   HG21  VAL   6          HG21      VAL   6  -8.612  -4.070  -1.047
   45   HG22  VAL   6          HG22      VAL   6  -9.713  -4.050   0.334
   46   HG23  VAL   6          HG23      VAL   6 -10.305  -4.512  -1.263
   47    H    GLY   7           HN       GLY   7  -8.177  -7.528   1.512
   48    HA2  GLY   7           HA2      GLY   7  -7.572  -9.586   2.479
   49    HA3  GLY   7           HA1      GLY   7  -9.061 -10.288   1.853
   50    H    VAL   8           HN       VAL   8  -5.733  -9.510   1.149
   51    HA   VAL   8           HA       VAL   8  -6.055 -10.605  -1.562
   52    HB   VAL   8           HB       VAL   8  -4.049  -9.531  -2.242
   53   HG11  VAL   8          HG11      VAL   8  -4.439  -7.205  -1.835
   54   HG12  VAL   8          HG12      VAL   8  -5.382  -7.568  -0.393
   55   HG13  VAL   8          HG13      VAL   8  -5.992  -8.030  -1.979
   56   HG21  VAL   8          HG21      VAL   8  -2.548  -8.341  -0.689
   57   HG22  VAL   8          HG22      VAL   8  -2.614 -10.078  -0.391
   58   HG23  VAL   8          HG23      VAL   8  -3.490  -8.967   0.667
   59    H    SER   9           HN       SER   9  -4.498 -12.143  -2.349
   60    HA   SER   9           HA       SER   9  -3.638 -13.994  -0.299
   61    HB2  SER   9           HB2      SER   9  -4.772 -14.661  -2.495
   62    HB3  SER   9           HB1      SER   9  -3.238 -14.289  -3.281
   63    HG   SER   9           HG       SER   9  -3.783 -16.251  -1.312
   64    H    ASN  10           HN       ASN  10  -1.360 -15.098  -1.109
   65    HA   ASN  10           HA       ASN  10   0.515 -13.135  -0.246
   66    HB2  ASN  10           HB2      ASN  10   0.700 -15.521   0.372
   67    HB3  ASN  10           HB1      ASN  10   1.012 -15.929  -1.309
   68   HD21  ASN  10          HD21      ASN  10   2.303 -14.532   1.595
   69   HD22  ASN  10          HD22      ASN  10   3.946 -14.456   1.063
   70    H    GLU  11           HN       GLU  11  -0.408 -14.436  -3.324
   71    HA   GLU  11           HA       GLU  11   1.733 -13.498  -4.897
   72    HB2  GLU  11           HB2      GLU  11   0.264 -15.060  -5.901
   73    HB3  GLU  11           HB1      GLU  11  -1.162 -14.123  -5.471
   74    HG2  GLU  11           HG2      GLU  11  -0.163 -12.331  -7.036
   75    HG3  GLU  11           HG1      GLU  11   0.826 -13.656  -7.649
   76    H    LYS  12           HN       LYS  12  -1.367 -12.041  -4.049
   77    HA   LYS  12           HA       LYS  12  -0.845  -9.632  -5.472
   78    HB2  LYS  12           HB2      LYS  12  -2.992 -10.639  -3.689
   79    HB3  LYS  12           HB1      LYS  12  -2.844  -8.889  -3.881
   80    HG2  LYS  12           HG2      LYS  12  -3.365  -8.939  -6.104
   81    HG3  LYS  12           HG1      LYS  12  -2.753 -10.575  -6.329
   82    HD2  LYS  12           HD2      LYS  12  -4.727 -11.471  -5.202
   83    HD3  LYS  12           HD1      LYS  12  -5.321  -9.827  -4.924
   84    HE2  LYS  12           HE2      LYS  12  -5.482  -9.439  -7.299
   85    HE3  LYS  12           HE1      LYS  12  -4.753 -11.005  -7.646
   86    HZ1  LYS  12           HZ1      LYS  12  -7.159 -11.034  -7.923
   87    HZ2  LYS  12           HZ2      LYS  12  -7.377 -10.583  -6.306
   88    HZ3  LYS  12           HZ3      LYS  12  -6.681 -12.084  -6.681
   89    H    LEU  13           HN       LEU  13   0.009 -10.816  -2.378
   90    HA   LEU  13           HA       LEU  13   0.780  -8.313  -1.235
   91    HB2  LEU  13           HB2      LEU  13   0.401 -10.451   0.023
   92    HB3  LEU  13           HB1      LEU  13   1.894 -11.068  -0.639
   93    HG   LEU  13           HG       LEU  13   3.116  -9.238   0.476
   94   HD11  LEU  13          HD11      LEU  13   0.429  -8.599   1.668
   95   HD12  LEU  13          HD12      LEU  13   1.365  -7.584   0.571
   96   HD13  LEU  13          HD13      LEU  13   1.969  -7.918   2.194
   97   HD21  LEU  13          HD21      LEU  13   2.887 -10.084   2.776
   98   HD22  LEU  13          HD22      LEU  13   2.954 -11.388   1.589
   99   HD23  LEU  13          HD23      LEU  13   1.409 -10.926   2.305
  100    H    ASP  14           HN       ASP  14   2.235 -10.509  -3.531
  101    HA   ASP  14           HA       ASP  14   4.879  -9.359  -3.298
  102    HB2  ASP  14           HB2      ASP  14   3.924 -11.744  -4.310
  103    HB3  ASP  14           HB1      ASP  14   4.257 -10.846  -5.773
  104    H    ALA  15           HN       ALA  15   2.014  -8.878  -5.175
  105    HA   ALA  15           HA       ALA  15   3.291  -7.465  -7.329
  106    HB1  ALA  15           HB1      ALA  15   1.044  -7.096  -8.175
  107    HB2  ALA  15           HB2      ALA  15   0.358  -7.643  -6.645
  108    HB3  ALA  15           HB3      ALA  15   1.230  -8.779  -7.674
  109    H    VAL  16           HN       VAL  16   1.953  -6.643  -4.257
  110    HA   VAL  16           HA       VAL  16   1.593  -3.870  -4.884
  111    HB   VAL  16           HB       VAL  16   0.202  -4.692  -3.151
  112   HG11  VAL  16          HG11      VAL  16   1.085  -5.661  -1.066
  113   HG12  VAL  16          HG12      VAL  16   2.715  -5.585  -1.737
  114   HG13  VAL  16          HG13      VAL  16   1.501  -6.628  -2.483
  115   HG21  VAL  16          HG21      VAL  16   0.969  -2.420  -2.778
  116   HG22  VAL  16          HG22      VAL  16   2.412  -3.013  -1.952
  117   HG23  VAL  16          HG23      VAL  16   0.819  -3.255  -1.229
  118    H    MET  17           HN       MET  17   4.075  -5.817  -3.320
  119    HA   MET  17           HA       MET  17   5.568  -3.726  -2.222
  120    HB2  MET  17           HB2      MET  17   6.527  -6.444  -3.172
  121    HB3  MET  17           HB1      MET  17   7.453  -5.337  -2.181
  122    HG2  MET  17           HG2      MET  17   5.795  -5.500  -0.410
  123    HG3  MET  17           HG1      MET  17   4.854  -6.604  -1.406
  124    HE1  MET  17           HE1      MET  17   8.318  -6.106   0.453
  125    HE2  MET  17           HE2      MET  17   8.775  -6.504  -1.202
  126    HE3  MET  17           HE3      MET  17   9.097  -7.650   0.103
  127    H    ARG  18           HN       ARG  18   5.552  -5.020  -5.503
  128    HA   ARG  18           HA       ARG  18   7.907  -3.640  -6.303
  129    HB2  ARG  18           HB2      ARG  18   7.083  -4.083  -8.634
  130    HB3  ARG  18           HB1      ARG  18   7.342  -5.496  -7.622
  131    HG2  ARG  18           HG2      ARG  18   5.156  -6.016  -7.547
  132    HG3  ARG  18           HG1      ARG  18   4.615  -4.343  -7.664
  133    HD2  ARG  18           HD2      ARG  18   5.841  -5.909  -9.920
  134    HD3  ARG  18           HD1      ARG  18   4.105  -5.709  -9.677
  135    HE   ARG  18           HE       ARG  18   5.893  -3.394 -10.058
  136   HH11  ARG  18          HH11      ARG  18   3.091  -5.259 -10.952
  137   HH12  ARG  18          HH12      ARG  18   2.425  -4.040 -11.989
  138   HH21  ARG  18          HH21      ARG  18   5.071  -1.758 -11.400
  139   HH22  ARG  18          HH22      ARG  18   3.595  -2.041 -12.291
  140    H    VAL  19           HN       VAL  19   4.474  -2.831  -6.279
  141    HA   VAL  19           HA       VAL  19   4.765  -0.480  -7.885
  142    HB   VAL  19           HB       VAL  19   2.563  -1.397  -6.007
  143   HG11  VAL  19          HG11      VAL  19   2.628   1.061  -7.750
  144   HG12  VAL  19          HG12      VAL  19   2.540   1.028  -5.992
  145   HG13  VAL  19          HG13      VAL  19   1.194   0.426  -6.959
  146   HG21  VAL  19          HG21      VAL  19   2.841  -2.671  -8.095
  147   HG22  VAL  19          HG22      VAL  19   2.693  -1.175  -9.020
  148   HG23  VAL  19          HG23      VAL  19   1.328  -1.768  -8.082
  149    H    VAL  20           HN       VAL  20   4.906  -1.289  -4.533
  150    HA   VAL  20           HA       VAL  20   5.184   1.367  -3.530
  151    HB   VAL  20           HB       VAL  20   5.767  -1.382  -2.395
  152   HG11  VAL  20          HG11      VAL  20   6.330  -0.368  -0.260
  153   HG12  VAL  20          HG12      VAL  20   6.217   1.243  -0.975
  154   HG13  VAL  20          HG13      VAL  20   7.481   0.132  -1.502
  155   HG21  VAL  20          HG21      VAL  20   3.978  -0.727  -0.816
  156   HG22  VAL  20          HG22      VAL  20   3.434  -0.719  -2.491
  157   HG23  VAL  20          HG23      VAL  20   3.804   0.802  -1.679
  158    H    SER  21           HN       SER  21   7.386  -1.123  -4.704
  159    HA   SER  21           HA       SER  21   9.790   0.105  -3.881
  160    HB2  SER  21           HB2      SER  21   9.545  -2.311  -4.625
  161    HB3  SER  21           HB1      SER  21   9.436  -1.737  -6.284
  162    HG   SER  21           HG       SER  21  11.606  -1.089  -4.586
  163    H    GLU  22           HN       GLU  22   7.608   0.785  -6.503
  164    HA   GLU  22           HA       GLU  22   9.582   2.122  -8.109
  165    HB2  GLU  22           HB2      GLU  22   6.591   1.860  -8.344
  166    HB3  GLU  22           HB1      GLU  22   7.574   2.745  -9.501
  167    HG2  GLU  22           HG2      GLU  22   8.780   0.700 -10.054
  168    HG3  GLU  22           HG1      GLU  22   7.829  -0.191  -8.866
  169    H    GLU  23           HN       GLU  23   6.876   3.028  -6.032
  170    HA   GLU  23           HA       GLU  23   7.256   5.832  -6.615
  171    HB2  GLU  23           HB2      GLU  23   5.389   4.556  -4.602
  172    HB3  GLU  23           HB1      GLU  23   5.234   6.160  -5.307
  173    HG2  GLU  23           HG2      GLU  23   5.081   3.566  -6.796
  174    HG3  GLU  23           HG1      GLU  23   3.692   4.506  -6.263
  175    H    SER  24           HN       SER  24   8.239   3.611  -4.132
  176    HA   SER  24           HA       SER  24   8.897   5.777  -2.276
  177    HB2  SER  24           HB2      SER  24   9.280   2.794  -1.989
  178    HB3  SER  24           HB1      SER  24   9.492   4.002  -0.716
  179    HG   SER  24           HG       SER  24   7.063   3.654  -2.128
  180    H    GLY  25           HN       GLY  25  10.451   3.598  -4.526
  181    HA2  GLY  25           HA2      GLY  25  12.589   3.981  -5.489
  182    HA3  GLY  25           HA1      GLY  25  12.925   5.136  -4.204
  183    H    ILE  26           HN       ILE  26  11.679   2.450  -2.765
  184    HA   ILE  26           HA       ILE  26  14.342   1.496  -2.040
  185    HB   ILE  26           HB       ILE  26  11.807   0.444  -0.842
  186   HG12  ILE  26          HG12      ILE  26  13.232   2.916   0.181
  187   HG13  ILE  26          HG11      ILE  26  11.751   2.969  -0.774
  188   HG21  ILE  26          HG21      ILE  26  13.266   0.194   1.146
  189   HG22  ILE  26          HG22      ILE  26  14.613   0.792   0.172
  190   HG23  ILE  26          HG23      ILE  26  13.807  -0.715  -0.266
  191   HD11  ILE  26          HD11      ILE  26  11.235   3.195   1.576
  192   HD12  ILE  26          HD12      ILE  26  12.110   1.708   1.943
  193   HD13  ILE  26          HD13      ILE  26  10.631   1.644   0.990
  194    H    ALA  27           HN       ALA  27  15.097  -0.067  -3.314
  195    HA   ALA  27           HA       ALA  27  13.835  -1.658  -5.129
  196    HB1  ALA  27           HB1      ALA  27  16.271  -1.476  -4.876
  197    HB2  ALA  27           HB2      ALA  27  15.747  -3.157  -4.980
  198    HB3  ALA  27           HB3      ALA  27  16.183  -2.464  -3.419
  199    H    LEU  28           HN       LEU  28  12.886  -3.648  -5.200
  200    HA   LEU  28           HA       LEU  28  11.138  -4.403  -3.203
  201    HB2  LEU  28           HB2      LEU  28  10.886  -5.090  -5.508
  202    HB3  LEU  28           HB1      LEU  28  12.363  -6.027  -5.439
  203    HG   LEU  28           HG       LEU  28  11.204  -7.482  -3.708
  204   HD11  LEU  28          HD11      LEU  28   9.391  -6.067  -3.056
  205   HD12  LEU  28          HD12      LEU  28   8.714  -7.481  -3.867
  206   HD13  LEU  28          HD13      LEU  28   8.824  -5.939  -4.721
  207   HD21  LEU  28          HD21      LEU  28  10.120  -7.373  -6.514
  208   HD22  LEU  28          HD22      LEU  28  10.034  -8.763  -5.430
  209   HD23  LEU  28          HD23      LEU  28  11.601  -8.180  -5.996
  210    H    GLU  29           HN       GLU  29  14.467  -5.409  -3.692
  211    HA   GLU  29           HA       GLU  29  14.342  -7.672  -1.929
  212    HB2  GLU  29           HB2      GLU  29  16.813  -6.230  -2.888
  213    HB3  GLU  29           HB1      GLU  29  16.686  -7.884  -2.304
  214    HG2  GLU  29           HG2      GLU  29  15.228  -6.940  -4.739
  215    HG3  GLU  29           HG1      GLU  29  16.877  -7.563  -4.813
  216    H    GLU  30           HN       GLU  30  14.440  -4.372  -1.412
  217    HA   GLU  30           HA       GLU  30  15.804  -4.671   1.189
  218    HB2  GLU  30           HB2      GLU  30  15.410  -2.141  -0.403
  219    HB3  GLU  30           HB1      GLU  30  16.334  -2.326   1.086
  220    HG2  GLU  30           HG2      GLU  30  17.109  -3.906  -1.311
  221    HG3  GLU  30           HG1      GLU  30  17.521  -2.195  -1.213
  222    H    LEU  31           HN       LEU  31  12.833  -4.353  -0.216
  223    HA   LEU  31           HA       LEU  31  11.665  -2.395   1.490
  224    HB2  LEU  31           HB2      LEU  31  10.721  -3.019  -0.728
  225    HB3  LEU  31           HB1      LEU  31  10.279  -4.588  -0.074
  226    HG   LEU  31           HG       LEU  31   8.785  -3.472   1.546
  227   HD11  LEU  31          HD11      LEU  31   9.946  -1.350   1.724
  228   HD12  LEU  31          HD12      LEU  31   8.271  -1.088   1.238
  229   HD13  LEU  31          HD13      LEU  31   9.566  -0.976   0.044
  230   HD21  LEU  31          HD21      LEU  31   7.075  -2.796  -0.059
  231   HD22  LEU  31          HD22      LEU  31   7.904  -4.261  -0.583
  232   HD23  LEU  31          HD23      LEU  31   8.299  -2.712  -1.327
  233    H    THR  32           HN       THR  32  11.870  -2.773   3.594
  234    HA   THR  32           HA       THR  32  10.921  -5.357   4.651
  235    HB   THR  32           HB       THR  32  12.424  -4.979   6.582
  236    HG1  THR  32           HG1      THR  32  13.676  -2.858   5.208
  237   HG21  THR  32          HG21      THR  32  14.621  -5.217   5.420
  238   HG22  THR  32          HG22      THR  32  13.835  -4.786   3.902
  239   HG23  THR  32          HG23      THR  32  13.377  -6.268   4.744
  240    H    ASP  33           HN       ASP  33   9.853  -5.202   6.779
  241    HA   ASP  33           HA       ASP  33   7.829  -3.206   6.780
  242    HB2  ASP  33           HB2      ASP  33   8.593  -5.175   8.934
  243    HB3  ASP  33           HB1      ASP  33   7.083  -4.273   8.847
  244    H    ASP  34           HN       ASP  34  10.989  -3.065   7.834
  245    HA   ASP  34           HA       ASP  34  10.700  -1.379  10.118
  246    HB2  ASP  34           HB2      ASP  34  12.749  -2.566   9.931
  247    HB3  ASP  34           HB1      ASP  34  12.990  -2.037   8.266
  248    H    SER  35           HN       SER  35  10.611  -0.909   6.702
  249    HA   SER  35           HA       SER  35  11.434   1.832   6.672
  250    HB2  SER  35           HB2      SER  35   9.766   0.313   4.652
  251    HB3  SER  35           HB1      SER  35  10.588   1.849   4.372
  252    HG   SER  35           HG       SER  35  12.425   0.246   5.295
  253    H    ASN  36           HN       ASN  36  10.211   3.688   6.468
  254    HA   ASN  36           HA       ASN  36   7.398   3.459   7.312
  255    HB2  ASN  36           HB2      ASN  36   8.972   4.053   9.206
  256    HB3  ASN  36           HB1      ASN  36   9.396   5.503   8.318
  257   HD21  ASN  36          HD21      ASN  36   6.998   4.014  10.359
  258   HD22  ASN  36          HD22      ASN  36   5.967   5.387  10.464
  259    H    PHE  37           HN       PHE  37   6.101   4.570   5.973
  260    HA   PHE  37           HA       PHE  37   7.086   5.618   3.591
  261    HB2  PHE  37           HB2      PHE  37   4.411   5.785   4.946
  262    HB3  PHE  37           HB1      PHE  37   4.702   6.616   3.417
  263    HD1  PHE  37           HD1      PHE  37   5.998   5.050   1.660
  264    HD2  PHE  37           HD2      PHE  37   3.432   3.687   4.763
  265    HE1  PHE  37           HE1      PHE  37   5.618   2.980   0.420
  266    HE2  PHE  37           HE2      PHE  37   3.041   1.592   3.519
  267    HZ   PHE  37           HZ       PHE  37   4.134   1.244   1.344
  268    H    ALA  38           HN       ALA  38   5.814   7.363   6.426
  269    HA   ALA  38           HA       ALA  38   6.261   9.926   5.254
  270    HB1  ALA  38           HB1      ALA  38   5.759  10.761   7.521
  271    HB2  ALA  38           HB2      ALA  38   5.732   9.090   8.091
  272    HB3  ALA  38           HB3      ALA  38   4.551   9.636   6.897
  273    H    ASP  39           HN       ASP  39   8.151   7.772   7.241
  274    HA   ASP  39           HA       ASP  39  10.152   9.658   7.995
  275    HB2  ASP  39           HB2      ASP  39   9.725   7.510   9.199
  276    HB3  ASP  39           HB1      ASP  39  10.395   6.649   7.817
  277    H    MET  40           HN       MET  40   9.661   7.492   5.337
  278    HA   MET  40           HA       MET  40  12.300   7.792   4.249
  279    HB2  MET  40           HB2      MET  40   9.786   6.464   3.350
  280    HB3  MET  40           HB1      MET  40  11.050   6.785   2.166
  281    HG2  MET  40           HG2      MET  40  11.524   5.333   4.745
  282    HG3  MET  40           HG1      MET  40  11.123   4.519   3.230
  283    HE1  MET  40           HE1      MET  40  12.738   6.616   1.240
  284    HE2  MET  40           HE2      MET  40  12.631   4.872   1.000
  285    HE3  MET  40           HE3      MET  40  14.205   5.663   1.002
  286    H    GLY  41           HN       GLY  41   9.327   9.508   4.020
  287    HA2  GLY  41           HA2      GLY  41   9.343  11.795   3.222
  288    HA3  GLY  41           HA1      GLY  41  10.620  11.346   2.098
  289    H    ILE  42           HN       ILE  42   7.790   9.357   2.559
  290    HA   ILE  42           HA       ILE  42   7.086   9.516  -0.199
  291    HB   ILE  42           HB       ILE  42   5.642   8.296   2.169
  292   HG12  ILE  42          HG12      ILE  42   7.817   7.324   1.455
  293   HG13  ILE  42          HG11      ILE  42   6.462   6.207   1.285
  294   HG21  ILE  42          HG21      ILE  42   4.939   8.113  -0.761
  295   HG22  ILE  42          HG22      ILE  42   3.975   8.887   0.499
  296   HG23  ILE  42          HG23      ILE  42   4.220   7.141   0.521
  297   HD11  ILE  42          HD11      ILE  42   7.702   7.811  -0.946
  298   HD12  ILE  42          HD12      ILE  42   6.385   6.647  -1.107
  299   HD13  ILE  42          HD13      ILE  42   7.991   6.099  -0.626
  300    H    ASP  43           HN       ASP  43   6.250  11.250  -1.036
  301    HA   ASP  43           HA       ASP  43   4.935  13.246   0.588
  302    HB2  ASP  43           HB2      ASP  43   6.578  13.904  -1.098
  303    HB3  ASP  43           HB1      ASP  43   5.613  13.157  -2.362
  304    H    SER  44           HN       SER  44   2.936  14.287  -0.201
  305    HA   SER  44           HA       SER  44   0.731  12.640  -0.264
  306    HB2  SER  44           HB2      SER  44   0.512  14.930   0.339
  307    HB3  SER  44           HB1      SER  44   1.120  15.477  -1.220
  308    H    LEU  45           HN       LEU  45   2.577  13.984  -2.957
  309    HA   LEU  45           HA       LEU  45   0.853  13.330  -5.057
  310    HB2  LEU  45           HB2      LEU  45   2.980  14.740  -5.128
  311    HB3  LEU  45           HB1      LEU  45   3.880  13.242  -5.175
  312    HG   LEU  45           HG       LEU  45   3.548  14.427  -7.380
  313   HD11  LEU  45          HD11      LEU  45   2.562  11.586  -7.159
  314   HD12  LEU  45          HD12      LEU  45   4.242  12.106  -7.296
  315   HD13  LEU  45          HD13      LEU  45   3.128  12.367  -8.638
  316   HD21  LEU  45          HD21      LEU  45   0.731  13.406  -7.048
  317   HD22  LEU  45          HD22      LEU  45   1.412  14.106  -8.517
  318   HD23  LEU  45          HD23      LEU  45   1.232  15.096  -7.071
  319    H    SER  46           HN       SER  46   3.670  11.438  -3.912
  320    HA   SER  46           HA       SER  46   3.132   9.256  -5.619
  321    HB2  SER  46           HB2      SER  46   4.793   8.059  -4.094
  322    HB3  SER  46           HB1      SER  46   5.370   9.518  -4.903
  323    HG   SER  46           HG       SER  46   5.356   9.010  -2.326
  324    H    SER  47           HN       SER  47   2.156  10.003  -2.345
  325    HA   SER  47           HA       SER  47   1.291   7.450  -1.561
  326    HB2  SER  47           HB2      SER  47   0.216  10.160  -0.750
  327    HB3  SER  47           HB1      SER  47  -0.066   8.650   0.114
  328    HG   SER  47           HG       SER  47   2.348  10.093  -0.205
  329    H    MET  48           HN       MET  48  -0.313   9.956  -3.467
  330    HA   MET  48           HA       MET  48  -2.814   8.503  -3.413
  331    HB2  MET  48           HB2      MET  48  -2.610  11.049  -3.486
  332    HB3  MET  48           HB1      MET  48  -2.221  10.896  -5.182
  333    HG2  MET  48           HG2      MET  48  -4.345   9.760  -5.589
  334    HG3  MET  48           HG1      MET  48  -4.758   9.920  -3.882
  335    HE1  MET  48           HE1      MET  48  -6.681  10.863  -6.203
  336    HE2  MET  48           HE2      MET  48  -7.202  12.436  -5.601
  337    HE3  MET  48           HE3      MET  48  -7.060  11.075  -4.491
  338    H    VAL  49           HN       VAL  49   0.047   8.422  -5.233
  339    HA   VAL  49           HA       VAL  49  -1.281   7.546  -7.659
  340    HB   VAL  49           HB       VAL  49   1.618   8.024  -6.945
  341   HG11  VAL  49          HG11      VAL  49   0.500   7.227  -9.646
  342   HG12  VAL  49          HG12      VAL  49   1.413   6.164  -8.579
  343   HG13  VAL  49          HG13      VAL  49   2.185   7.588  -9.273
  344   HG21  VAL  49          HG21      VAL  49  -0.224   9.471  -8.855
  345   HG22  VAL  49          HG22      VAL  49   1.453   9.890  -8.496
  346   HG23  VAL  49          HG23      VAL  49   0.220  10.019  -7.239
  347    H    ILE  50           HN       ILE  50   0.839   6.274  -5.091
  348    HA   ILE  50           HA       ILE  50   1.082   3.657  -5.908
  349    HB   ILE  50           HB       ILE  50   0.619   4.699  -3.104
  350   HG12  ILE  50          HG12      ILE  50   3.149   4.041  -4.626
  351   HG13  ILE  50          HG11      ILE  50   2.596   5.647  -4.159
  352   HG21  ILE  50          HG21      ILE  50   1.728   2.030  -3.956
  353   HG22  ILE  50          HG22      ILE  50   0.127   2.307  -3.268
  354   HG23  ILE  50          HG23      ILE  50   1.568   2.624  -2.302
  355   HD11  ILE  50          HD11      ILE  50   2.865   5.037  -1.804
  356   HD12  ILE  50          HD12      ILE  50   4.371   4.888  -2.709
  357   HD13  ILE  50          HD13      ILE  50   3.446   3.445  -2.293
  358    H    GLY  51           HN       GLY  51  -1.545   5.039  -3.919
  359    HA2  GLY  51           HA2      GLY  51  -3.162   2.736  -3.868
  360    HA3  GLY  51           HA1      GLY  51  -3.725   4.381  -3.607
  361    H    SER  52           HN       SER  52  -2.694   5.152  -6.319
  362    HA   SER  52           HA       SER  52  -5.059   4.583  -7.769
  363    HB2  SER  52           HB2      SER  52  -2.626   6.212  -8.113
  364    HB3  SER  52           HB1      SER  52  -3.514   5.839  -9.572
  365    HG   SER  52           HG       SER  52  -4.166   7.464  -7.417
  366    H    ARG  53           HN       ARG  53  -1.636   3.690  -8.100
  367    HA   ARG  53           HA       ARG  53  -1.914   2.162 -10.449
  368    HB2  ARG  53           HB2      ARG  53   0.132   1.780  -8.265
  369    HB3  ARG  53           HB1      ARG  53   0.265   1.262  -9.939
  370    HG2  ARG  53           HG2      ARG  53   0.009   3.726 -10.536
  371    HG3  ARG  53           HG1      ARG  53   0.342   4.042  -8.834
  372    HD2  ARG  53           HD2      ARG  53   2.497   4.052  -9.484
  373    HD3  ARG  53           HD1      ARG  53   2.314   2.297  -9.440
  374    HE   ARG  53           HE       ARG  53   1.528   3.263 -11.977
  375   HH11  ARG  53          HH11      ARG  53   4.413   2.931 -10.018
  376   HH12  ARG  53          HH12      ARG  53   5.438   2.492 -11.355
  377   HH21  ARG  53          HH21      ARG  53   2.875   2.801 -13.753
  378   HH22  ARG  53          HH22      ARG  53   4.565   2.495 -13.505
  379    H    PHE  54           HN       PHE  54  -2.520   1.432  -7.087
  380    HA   PHE  54           HA       PHE  54  -2.761  -1.361  -7.176
  381    HB2  PHE  54           HB2      PHE  54  -4.316   0.750  -5.658
  382    HB3  PHE  54           HB1      PHE  54  -4.624  -0.966  -5.457
  383    HD1  PHE  54           HD1      PHE  54  -1.291  -1.052  -5.981
  384    HD2  PHE  54           HD2      PHE  54  -4.063   0.439  -3.119
  385    HE1  PHE  54           HE1      PHE  54   0.462  -1.127  -4.254
  386    HE2  PHE  54           HE2      PHE  54  -2.312   0.367  -1.390
  387    HZ   PHE  54           HZ       PHE  54  -0.052  -0.426  -1.955
  388    H    ARG  55           HN       ARG  55  -4.984   1.194  -8.170
  389    HA   ARG  55           HA       ARG  55  -7.085  -0.653  -8.852
  390    HB2  ARG  55           HB2      ARG  55  -6.853   2.279  -9.558
  391    HB3  ARG  55           HB1      ARG  55  -8.311   1.302  -9.553
  392    HG2  ARG  55           HG2      ARG  55  -8.192   1.078  -7.147
  393    HG3  ARG  55           HG1      ARG  55  -6.678   1.980  -7.112
  394    HD2  ARG  55           HD2      ARG  55  -9.249   3.109  -8.206
  395    HD3  ARG  55           HD1      ARG  55  -8.757   3.294  -6.524
  396    HE   ARG  55           HE       ARG  55  -6.615   4.220  -7.871
  397   HH11  ARG  55          HH11      ARG  55 -10.046   4.965  -8.160
  398   HH12  ARG  55          HH12      ARG  55  -9.763   6.617  -8.605
  399   HH21  ARG  55          HH21      ARG  55  -6.273   6.422  -8.443
  400   HH22  ARG  55          HH22      ARG  55  -7.649   7.442  -8.760
  401    H    GLU  56           HN       GLU  56  -4.446   0.932 -10.478
  402    HA   GLU  56           HA       GLU  56  -5.513   0.575 -13.121
  403    HB2  GLU  56           HB2      GLU  56  -2.728   1.308 -12.211
  404    HB3  GLU  56           HB1      GLU  56  -3.296   1.375 -13.871
  405    HG2  GLU  56           HG2      GLU  56  -4.882   3.104 -13.294
  406    HG3  GLU  56           HG1      GLU  56  -4.413   3.001 -11.596
  407    H    ASP  57           HN       ASP  57  -2.682  -0.771 -11.444
  408    HA   ASP  57           HA       ASP  57  -2.238  -2.571 -13.684
  409    HB2  ASP  57           HB2      ASP  57  -0.425  -1.211 -12.512
  410    HB3  ASP  57           HB1      ASP  57  -0.573  -2.348 -11.181
  411    H    LEU  58           HN       LEU  58  -3.184  -2.737 -10.308
  412    HA   LEU  58           HA       LEU  58  -3.086  -5.663 -10.398
  413    HB2  LEU  58           HB2      LEU  58  -3.156  -3.649  -8.181
  414    HB3  LEU  58           HB1      LEU  58  -3.727  -5.279  -7.873
  415    HG   LEU  58           HG       LEU  58  -1.528  -6.172  -8.518
  416   HD11  LEU  58          HD11      LEU  58   0.354  -4.748  -8.924
  417   HD12  LEU  58          HD12      LEU  58  -0.626  -3.303  -8.678
  418   HD13  LEU  58          HD13      LEU  58  -0.913  -4.336 -10.079
  419   HD21  LEU  58          HD21      LEU  58  -1.974  -5.679  -6.184
  420   HD22  LEU  58          HD22      LEU  58  -1.429  -4.017  -6.416
  421   HD23  LEU  58          HD23      LEU  58  -0.282  -5.350  -6.571
  422    H    GLY  59           HN       GLY  59  -5.356  -3.004 -10.052
  423    HA2  GLY  59           HA2      GLY  59  -7.634  -3.056 -10.571
  424    HA3  GLY  59           HA1      GLY  59  -7.534  -4.808 -10.703
  425    H    LEU  60           HN       LEU  60  -6.512  -2.842  -7.952
  426    HA   LEU  60           HA       LEU  60  -8.082  -4.478  -6.177
  427    HB2  LEU  60           HB2      LEU  60  -6.303  -2.094  -5.685
  428    HB3  LEU  60           HB1      LEU  60  -7.125  -2.967  -4.409
  429    HG   LEU  60           HG       LEU  60  -5.040  -4.126  -6.260
  430   HD11  LEU  60          HD11      LEU  60  -4.050  -2.579  -4.705
  431   HD12  LEU  60          HD12      LEU  60  -3.671  -4.229  -4.202
  432   HD13  LEU  60          HD13      LEU  60  -4.924  -3.315  -3.362
  433   HD21  LEU  60          HD21      LEU  60  -6.724  -5.765  -5.557
  434   HD22  LEU  60          HD22      LEU  60  -6.419  -5.342  -3.872
  435   HD23  LEU  60          HD23      LEU  60  -5.145  -6.083  -4.839
  436    H    ASP  61           HN       ASP  61 -10.113  -4.043  -5.497
  437    HA   ASP  61           HA       ASP  61 -11.415  -1.593  -6.229
  438    HB2  ASP  61           HB2      ASP  61 -12.332  -3.999  -4.640
  439    HB3  ASP  61           HB1      ASP  61 -13.350  -2.585  -4.900
  440    H    LEU  62           HN       LEU  62  -9.902  -0.212  -5.026
  441    HA   LEU  62           HA       LEU  62 -10.359  -0.147  -2.142
  442    HB2  LEU  62           HB2      LEU  62  -8.517   1.533  -3.841
  443    HB3  LEU  62           HB1      LEU  62  -8.574   1.522  -2.091
  444    HG   LEU  62           HG       LEU  62  -7.770  -0.820  -3.813
  445   HD11  LEU  62          HD11      LEU  62  -5.505  -0.313  -3.040
  446   HD12  LEU  62          HD12      LEU  62  -6.107   1.139  -2.240
  447   HD13  LEU  62          HD13      LEU  62  -6.182   1.001  -3.998
  448   HD21  LEU  62          HD21      LEU  62  -8.638  -1.588  -1.716
  449   HD22  LEU  62          HD22      LEU  62  -7.722  -0.367  -0.834
  450   HD23  LEU  62          HD23      LEU  62  -6.876  -1.682  -1.649
  451    H    GLY  63           HN       GLY  63  -9.928   2.503  -4.441
  452    HA2  GLY  63           HA2      GLY  63 -12.209   3.739  -4.803
  453    HA3  GLY  63           HA1      GLY  63 -12.014   3.988  -3.073
  454    HA   PRO  64           HA       PRO  64  -9.507   7.167  -5.460
  455    HB2  PRO  64           HB2      PRO  64 -11.142   9.298  -5.483
  456    HB3  PRO  64           HB1      PRO  64 -11.237   8.027  -6.717
  457    HG2  PRO  64           HG2      PRO  64 -12.961   8.484  -4.324
  458    HG3  PRO  64           HG1      PRO  64 -13.423   7.962  -5.952
  459    HD2  PRO  64           HD2      PRO  64 -13.099   6.286  -3.769
  460    HD3  PRO  64           HD1      PRO  64 -13.029   5.769  -5.464
  461    H    GLU  65           HN       GLU  65 -11.103   6.937  -2.495
  462    HA   GLU  65           HA       GLU  65 -10.062   9.394  -1.391
  463    HB2  GLU  65           HB2      GLU  65 -11.826   7.226  -0.275
  464    HB3  GLU  65           HB1      GLU  65 -11.324   8.645   0.630
  465    HG2  GLU  65           HG2      GLU  65 -12.729   8.831  -1.995
  466    HG3  GLU  65           HG1      GLU  65 -13.601   8.734  -0.464
  467    H    PHE  66           HN       PHE  66  -8.604   6.621  -2.029
  468    HA   PHE  66           HA       PHE  66  -7.495   6.081   0.615
  469    HB2  PHE  66           HB2      PHE  66  -8.239   4.199  -0.817
  470    HB3  PHE  66           HB1      PHE  66  -7.036   4.652  -2.016
  471    HD1  PHE  66           HD2      PHE  66  -7.527   3.319   1.370
  472    HD2  PHE  66           HD1      PHE  66  -4.766   4.022  -1.786
  473    HE1  PHE  66           HE2      PHE  66  -5.881   1.895   2.502
  474    HE2  PHE  66           HE1      PHE  66  -3.111   2.597  -0.661
  475    HZ   PHE  66           HZ       PHE  66  -3.675   1.466   1.434
  476    H    SER  67           HN       SER  67  -5.714   7.078   1.271
  477    HA   SER  67           HA       SER  67  -3.539   7.502  -0.648
  478    HB2  SER  67           HB2      SER  67  -4.500   9.627   1.290
  479    HB3  SER  67           HB1      SER  67  -3.103   9.756   0.225
  480    HG   SER  67           HG       SER  67  -5.355   9.055  -1.125
  481    H    LEU  68           HN       LEU  68  -1.749   6.607   0.114
  482    HA   LEU  68           HA       LEU  68  -1.580   5.348   2.599
  483    HB2  LEU  68           HB2      LEU  68   0.619   6.199   0.732
  484    HB3  LEU  68           HB1      LEU  68   0.861   5.155   2.116
  485    HG   LEU  68           HG       LEU  68  -0.739   4.555  -0.366
  486   HD11  LEU  68          HD11      LEU  68   1.815   3.506   0.814
  487   HD12  LEU  68          HD12      LEU  68   1.570   4.272  -0.761
  488   HD13  LEU  68          HD13      LEU  68   0.917   2.659  -0.446
  489   HD21  LEU  68          HD21      LEU  68  -0.447   2.959   2.172
  490   HD22  LEU  68          HD22      LEU  68  -1.100   2.330   0.660
  491   HD23  LEU  68          HD23      LEU  68  -1.935   3.633   1.508
  492    H    PHE  69           HN       PHE  69  -0.722   8.579   1.660
  493    HA   PHE  69           HA       PHE  69   1.183   9.248   3.568
  494    HB2  PHE  69           HB2      PHE  69   0.393  10.547   1.515
  495    HB3  PHE  69           HB1      PHE  69  -0.924  11.151   2.512
  496    HD1  PHE  69           HD1      PHE  69   2.280  10.632   4.154
  497    HD2  PHE  69           HD2      PHE  69  -0.115  13.396   1.978
  498    HE1  PHE  69           HE1      PHE  69   3.726  12.469   4.912
  499    HE2  PHE  69           HE2      PHE  69   1.319  15.245   2.744
  500    HZ   PHE  69           HZ       PHE  69   3.246  14.782   4.214
  501    H    ILE  70           HN       ILE  70  -2.150   8.592   4.025
  502    HA   ILE  70           HA       ILE  70  -1.961   9.645   6.778
  503    HB   ILE  70           HB       ILE  70  -4.443   9.658   5.022
  504   HG12  ILE  70          HG12      ILE  70  -2.832  11.918   6.231
  505   HG13  ILE  70          HG11      ILE  70  -2.861  11.477   4.529
  506   HG21  ILE  70          HG21      ILE  70  -5.599  10.680   6.905
  507   HG22  ILE  70          HG22      ILE  70  -4.154  10.511   7.901
  508   HG23  ILE  70          HG23      ILE  70  -5.000   9.075   7.328
  509   HD11  ILE  70          HD11      ILE  70  -5.224  12.047   4.408
  510   HD12  ILE  70          HD12      ILE  70  -4.262  13.418   4.959
  511   HD13  ILE  70          HD13      ILE  70  -5.213  12.484   6.115
  512    H    ASP  71           HN       ASP  71  -3.113   7.130   4.608
  513    HA   ASP  71           HA       ASP  71  -4.451   5.706   6.747
  514    HB2  ASP  71           HB2      ASP  71  -4.327   5.464   3.788
  515    HB3  ASP  71           HB1      ASP  71  -4.756   4.032   4.717
  516    H    CYS  72           HN       CYS  72  -1.281   5.733   5.611
  517    HA   CYS  72           HA       CYS  72  -0.727   3.180   6.856
  518    HB2  CYS  72           HB2      CYS  72  -0.118   3.636   3.926
  519    HB3  CYS  72           HB1      CYS  72   0.536   2.311   4.884
  520    HG   CYS  72           HG       CYS  72  -2.672   2.215   5.295
  521    H    THR  73           HN       THR  73   1.026   3.420   8.035
  522    HA   THR  73           HA       THR  73   2.723   5.758   7.501
  523    HB   THR  73           HB       THR  73   3.397   5.461   9.898
  524    HG1  THR  73           HG1      THR  73   2.202   3.997  11.156
  525   HG21  THR  73          HG21      THR  73   0.491   5.863   9.169
  526   HG22  THR  73          HG22      THR  73   1.732   7.094   9.423
  527   HG23  THR  73          HG23      THR  73   1.122   6.165  10.792
  528    H    THR  74           HN       THR  74   3.069   2.360   8.629
  529    HA   THR  74           HA       THR  74   5.795   2.383   7.549
  530    HB   THR  74           HB       THR  74   6.089   0.202   8.639
  531    HG1  THR  74           HG1      THR  74   3.943   0.094  10.214
  532   HG21  THR  74          HG21      THR  74   6.569   2.233   9.931
  533   HG22  THR  74          HG22      THR  74   5.968   0.944  10.971
  534   HG23  THR  74          HG23      THR  74   4.901   2.268  10.500
  535    H    VAL  75           HN       VAL  75   6.243  -0.122   6.703
  536    HA   VAL  75           HA       VAL  75   4.761  -0.204   4.234
  537    HB   VAL  75           HB       VAL  75   6.531  -2.467   4.966
  538   HG11  VAL  75          HG11      VAL  75   5.488  -2.348   2.780
  539   HG12  VAL  75          HG12      VAL  75   7.245  -2.229   2.648
  540   HG13  VAL  75          HG13      VAL  75   6.249  -0.783   2.491
  541   HG21  VAL  75          HG21      VAL  75   7.777  -0.657   5.913
  542   HG22  VAL  75          HG22      VAL  75   7.564   0.310   4.450
  543   HG23  VAL  75          HG23      VAL  75   8.541  -1.158   4.405
  544    H    ARG  76           HN       ARG  76   5.189  -2.295   7.048
  545    HA   ARG  76           HA       ARG  76   3.493  -4.359   6.228
  546    HB2  ARG  76           HB2      ARG  76   5.075  -4.660   8.035
  547    HB3  ARG  76           HB1      ARG  76   4.228  -3.472   9.016
  548    HG2  ARG  76           HG2      ARG  76   3.591  -5.606   9.814
  549    HG3  ARG  76           HG1      ARG  76   2.241  -4.943   8.906
  550    HD2  ARG  76           HD2      ARG  76   2.535  -7.307   8.422
  551    HD3  ARG  76           HD1      ARG  76   2.796  -6.315   6.987
  552    HE   ARG  76           HE       ARG  76   5.265  -6.571   7.602
  553   HH11  ARG  76          HH11      ARG  76   2.829  -9.048   8.172
  554   HH12  ARG  76          HH12      ARG  76   3.982 -10.350   8.132
  555   HH21  ARG  76          HH21      ARG  76   6.763  -8.287   7.558
  556   HH22  ARG  76          HH22      ARG  76   6.196  -9.923   7.781
  557    H    ALA  77           HN       ALA  77   2.809  -1.237   7.625
  558    HA   ALA  77           HA       ALA  77   0.181  -1.649   8.484
  559    HB1  ALA  77           HB1      ALA  77   1.407   0.415   8.946
  560    HB2  ALA  77           HB2      ALA  77  -0.138   0.758   8.170
  561    HB3  ALA  77           HB3      ALA  77   1.354   0.839   7.235
  562    H    LEU  78           HN       LEU  78   1.511  -1.131   5.269
  563    HA   LEU  78           HA       LEU  78  -1.009  -0.914   3.927
  564    HB2  LEU  78           HB2      LEU  78   1.592  -0.472   3.242
  565    HB3  LEU  78           HB1      LEU  78   1.303  -1.995   2.440
  566    HG   LEU  78           HG       LEU  78  -0.443   0.423   2.035
  567   HD11  LEU  78          HD11      LEU  78   2.035  -0.435   0.553
  568   HD12  LEU  78          HD12      LEU  78   1.768   1.079   1.413
  569   HD13  LEU  78          HD13      LEU  78   0.871   0.736  -0.065
  570   HD21  LEU  78          HD21      LEU  78  -1.452  -1.669   1.332
  571   HD22  LEU  78          HD22      LEU  78  -0.014  -2.073   0.393
  572   HD23  LEU  78          HD23      LEU  78  -1.010  -0.692  -0.072
  573    H    LYS  79           HN       LYS  79   1.376  -3.467   4.381
  574    HA   LYS  79           HA       LYS  79   0.196  -5.601   3.110
  575    HB2  LYS  79           HB2      LYS  79   1.446  -5.974   5.821
  576    HB3  LYS  79           HB1      LYS  79   1.498  -7.049   4.423
  577    HG2  LYS  79           HG2      LYS  79   2.796  -4.376   4.171
  578    HG3  LYS  79           HG1      LYS  79   3.606  -5.560   5.194
  579    HD2  LYS  79           HD2      LYS  79   3.441  -7.148   3.228
  580    HD3  LYS  79           HD1      LYS  79   2.917  -5.765   2.265
  581    HE2  LYS  79           HE2      LYS  79   5.282  -6.037   1.959
  582    HE3  LYS  79           HE1      LYS  79   5.003  -4.585   2.926
  583    HZ1  LYS  79           HZ1      LYS  79   5.716  -7.237   4.083
  584    HZ2  LYS  79           HZ2      LYS  79   5.640  -5.755   4.908
  585    HZ3  LYS  79           HZ3      LYS  79   6.846  -6.020   3.747
  586    H    ASP  80           HN       ASP  80  -0.157  -4.713   6.495
  587    HA   ASP  80           HA       ASP  80  -2.011  -6.642   7.265
  588    HB2  ASP  80           HB2      ASP  80  -0.702  -5.307   8.847
  589    HB3  ASP  80           HB1      ASP  80  -1.574  -3.855   8.367
  590    H    PHE  81           HN       PHE  81  -2.491  -3.541   5.743
  591    HA   PHE  81           HA       PHE  81  -5.302  -3.441   6.163
  592    HB2  PHE  81           HB2      PHE  81  -3.877  -1.442   5.695
  593    HB3  PHE  81           HB1      PHE  81  -3.672  -2.022   4.046
  594    HD1  PHE  81           HD1      PHE  81  -6.142  -0.760   6.487
  595    HD2  PHE  81           HD2      PHE  81  -5.316  -1.659   2.408
  596    HE1  PHE  81           HE1      PHE  81  -8.199   0.409   5.817
  597    HE2  PHE  81           HE2      PHE  81  -7.369  -0.489   1.731
  598    HZ   PHE  81           HZ       PHE  81  -8.807   0.567   3.452
  599    H    MET  82           HN       MET  82  -3.220  -4.734   3.681
  600    HA   MET  82           HA       MET  82  -5.254  -5.092   1.705
  601    HB2  MET  82           HB2      MET  82  -2.600  -6.493   1.892
  602    HB3  MET  82           HB1      MET  82  -3.598  -6.305   0.458
  603    HG2  MET  82           HG2      MET  82  -3.259  -3.893   0.517
  604    HG3  MET  82           HG1      MET  82  -2.265  -4.074   1.967
  605    HE1  MET  82           HE1      MET  82  -1.105  -4.847  -2.353
  606    HE2  MET  82           HE2      MET  82  -2.069  -3.511  -1.719
  607    HE3  MET  82           HE3      MET  82  -2.727  -5.152  -1.715
  608    H    LEU  83           HN       LEU  83  -3.522  -7.395   3.813
  609    HA   LEU  83           HA       LEU  83  -5.139  -9.591   3.005
  610    HB2  LEU  83           HB2      LEU  83  -3.260  -9.237   5.343
  611    HB3  LEU  83           HB1      LEU  83  -4.106 -10.735   5.027
  612    HG   LEU  83           HG       LEU  83  -2.950 -10.781   2.768
  613   HD11  LEU  83          HD11      LEU  83  -1.260  -8.632   4.018
  614   HD12  LEU  83          HD12      LEU  83  -2.325  -8.445   2.625
  615   HD13  LEU  83          HD13      LEU  83  -0.909  -9.492   2.517
  616   HD21  LEU  83          HD21      LEU  83  -0.864 -11.666   3.655
  617   HD22  LEU  83          HD22      LEU  83  -2.226 -12.186   4.650
  618   HD23  LEU  83          HD23      LEU  83  -1.171 -10.882   5.206
  619    H    GLY  84           HN       GLY  84  -5.293  -7.291   5.653
  620    HA2  GLY  84           HA2      GLY  84  -7.702  -6.868   6.262
  621    HA3  GLY  84           HA1      GLY  84  -7.795  -8.605   6.507
  622    H    SER  85           HN       SER  85  -7.542  -5.756   8.049
  623    HA   SER  85           HA       SER  85  -5.645  -6.481  10.103
  624    HB2  SER  85           HB2      SER  85  -6.239  -4.107   9.149
  625    HB3  SER  85           HB1      SER  85  -7.566  -4.177  10.309
  626    HG   SER  85           HG       SER  85  -4.771  -4.262  10.795
  627    H    GLY  86           HN       GLY  86  -7.747  -8.338   9.842
  628    HA2  GLY  86           HA2      GLY  86  -9.504  -7.756  12.144
  629    HA3  GLY  86           HA1      GLY  86  -9.930  -8.817  10.810
  630    H    ASP  87           HN       ASP  87  -6.715  -9.129  11.857
  631    HA   ASP  87           HA       ASP  87  -7.318 -11.726  13.013
  632    HB2  ASP  87           HB2      ASP  87  -5.455 -11.513  11.398
  633    HB3  ASP  87           HB1      ASP  87  -4.635 -10.415  12.502
  634    H    ALA  88           HN       ALA  88  -7.416 -12.105  15.123
  635    HA   ALA  88           HA       ALA  88  -6.974  -9.849  16.906
  636    HB1  ALA  88           HB1      ALA  88  -9.115 -11.055  16.976
  637    HB2  ALA  88           HB2      ALA  88  -8.276 -11.086  18.526
  638    HB3  ALA  88           HB3      ALA  88  -8.265 -12.512  17.489
  639    H    GLY  89           HN       GLY  89  -6.537 -13.308  17.594
  640    HA2  GLY  89           HA2      GLY  89  -3.871 -13.554  17.956
  641    HA3  GLY  89           HA1      GLY  89  -4.366 -12.645  19.378
  642   H282  PNS  90          H28A      PNS  44  -0.850  15.486  -4.215
  643   H281  PNS  90          H28B      PNS  44  -1.842  14.080  -3.823
  644   H303  PNS  90          H30A      PNS  44  -1.446  17.019  -5.855
  645   H302  PNS  90          H30B      PNS  44  -2.847  17.492  -4.893
  646   H301  PNS  90          H30C      PNS  44  -3.049  17.052  -6.589
  647   H313  PNS  90          H31A      PNS  44  -1.214  14.684  -6.644
  648   H312  PNS  90          H31B      PNS  44  -2.857  14.624  -7.277
  649   H311  PNS  90          H31C      PNS  44  -2.335  13.442  -6.078
  650    H32  PNS  90          H32A      PNS  44  -4.369  14.071  -4.866
  651    H33  PNS  90          H33A      PNS  44  -3.861  15.921  -3.225
  652    H36  PNS  90          H36A      PNS  44  -6.226  16.587  -4.823
  653   H372  PNS  90          H37A      PNS  44  -6.594  17.671  -7.350
  654   H371  PNS  90          H37B      PNS  44  -7.509  16.168  -7.305
  655   H382  PNS  90          H38A      PNS  44  -8.985  17.952  -6.714
  656   H381  PNS  90          H38B      PNS  44  -8.669  17.005  -5.261
  657    H41  PNS  90          H41A      PNS  44  -9.549  18.971  -4.300
  658   H422  PNS  90          H42A      PNS  44  -7.462  20.627  -3.223
  659   H421  PNS  90          H42B      PNS  44  -8.591  21.507  -4.255
  660   H431  PNS  90          H43A      PNS  44 -10.453  20.739  -2.866
  661   H432  PNS  90          H43B      PNS  44  -9.274  21.665  -1.937
  662    H44  PNS  90           H1       PNS  44 -10.272  19.565  -0.352
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1 -19.461   0.602   8.312
    2    H2   ALA   1           HT2      ALA   1 -20.201  -0.923   8.417
    3    H3   ALA   1           HT3      ALA   1 -20.587   0.287   9.538
    4    HA   ALA   1           HA       ALA   1 -22.281  -0.103   7.777
    5    HB1  ALA   1           HB1      ALA   1 -21.065   2.651   7.964
    6    HB2  ALA   1           HB2      ALA   1 -22.254   1.959   9.068
    7    HB3  ALA   1           HB3      ALA   1 -22.691   2.282   7.393
    8    H    MET   2           HN       MET   2 -19.802   2.120   6.517
    9    HA   MET   2           HA       MET   2 -20.144   0.880   3.878
   10    HB2  MET   2           HB2      MET   2 -18.940   3.549   4.627
   11    HB3  MET   2           HB1      MET   2 -19.093   2.930   2.989
   12    HG2  MET   2           HG2      MET   2 -21.357   3.591   4.861
   13    HG3  MET   2           HG1      MET   2 -20.832   4.550   3.479
   14    HE1  MET   2           HE1      MET   2 -24.315   3.114   2.345
   15    HE2  MET   2           HE2      MET   2 -23.367   4.574   2.630
   16    HE3  MET   2           HE3      MET   2 -23.863   3.566   3.991
   17    H    ALA   3           HN       ALA   3 -18.788  -0.931   4.379
   18    HA   ALA   3           HA       ALA   3 -16.016  -0.563   3.903
   19    HB1  ALA   3           HB1      ALA   3 -16.024   0.159   6.241
   20    HB2  ALA   3           HB2      ALA   3 -15.158  -1.366   6.059
   21    HB3  ALA   3           HB3      ALA   3 -16.795  -1.354   6.715
   22    H    LYS   4           HN       LYS   4 -15.097  -2.460   3.258
   23    HA   LYS   4           HA       LYS   4 -16.297  -4.995   4.002
   24    HB2  LYS   4           HB2      LYS   4 -17.512  -4.327   1.959
   25    HB3  LYS   4           HB1      LYS   4 -15.978  -4.168   1.113
   26    HG2  LYS   4           HG2      LYS   4 -15.577  -6.603   1.577
   27    HG3  LYS   4           HG1      LYS   4 -17.240  -6.686   2.169
   28    HD2  LYS   4           HD2      LYS   4 -18.100  -6.049   0.029
   29    HD3  LYS   4           HD1      LYS   4 -16.473  -5.716  -0.578
   30    HE2  LYS   4           HE2      LYS   4 -15.930  -8.117  -0.205
   31    HE3  LYS   4           HE1      LYS   4 -17.625  -8.387   0.200
   32    HZ1  LYS   4           HZ1      LYS   4 -18.295  -7.852  -1.964
   33    HZ2  LYS   4           HZ2      LYS   4 -16.943  -8.863  -2.162
   34    HZ3  LYS   4           HZ3      LYS   4 -16.788  -7.186  -2.373
   35    H    GLY   5           HN       GLY   5 -14.731  -6.451   4.376
   36    HA2  GLY   5           HA2      GLY   5 -11.988  -5.738   3.947
   37    HA3  GLY   5           HA1      GLY   5 -12.582  -7.244   4.632
   38    H    VAL   6           HN       VAL   6 -10.736  -6.157   2.268
   39    HA   VAL   6           HA       VAL   6 -11.774  -7.638   0.027
   40    HB   VAL   6           HB       VAL   6  -9.025  -6.456   0.366
   41   HG11  VAL   6          HG11      VAL   6 -10.552  -7.318  -2.085
   42   HG12  VAL   6          HG12      VAL   6  -9.085  -8.053  -1.436
   43   HG13  VAL   6          HG13      VAL   6  -9.031  -6.424  -2.112
   44   HG21  VAL   6          HG21      VAL   6 -10.732  -4.740   0.657
   45   HG22  VAL   6          HG22      VAL   6 -11.486  -5.227  -0.862
   46   HG23  VAL   6          HG23      VAL   6  -9.871  -4.520  -0.866
   47    H    GLY   7           HN       GLY   7  -8.548  -7.890   1.522
   48    HA2  GLY   7           HA2      GLY   7  -7.510  -9.822   2.365
   49    HA3  GLY   7           HA1      GLY   7  -8.892 -10.771   1.826
   50    H    VAL   8           HN       VAL   8  -5.704  -9.979   1.194
   51    HA   VAL   8           HA       VAL   8  -5.989 -10.620  -1.656
   52    HB   VAL   8           HB       VAL   8  -3.988  -9.436  -2.139
   53   HG11  VAL   8          HG11      VAL   8  -5.557  -7.842  -0.126
   54   HG12  VAL   8          HG12      VAL   8  -5.893  -7.981  -1.849
   55   HG13  VAL   8          HG13      VAL   8  -4.425  -7.175  -1.299
   56   HG21  VAL   8          HG21      VAL   8  -2.622 -10.206  -0.296
   57   HG22  VAL   8          HG22      VAL   8  -3.535  -9.198   0.830
   58   HG23  VAL   8          HG23      VAL   8  -2.547  -8.449  -0.423
   59    H    SER   9           HN       SER   9  -4.401 -11.991  -2.630
   60    HA   SER   9           HA       SER   9  -3.450 -14.107  -0.904
   61    HB2  SER   9           HB2      SER   9  -4.483 -14.706  -3.040
   62    HB3  SER   9           HB1      SER   9  -3.326 -13.704  -3.910
   63    HG   SER   9           HG       SER   9  -2.885 -16.150  -2.540
   64    H    ASN  10           HN       ASN  10  -1.139 -14.924  -1.518
   65    HA   ASN  10           HA       ASN  10   0.789 -12.977  -0.800
   66    HB2  ASN  10           HB2      ASN  10   0.905 -15.543  -0.568
   67    HB3  ASN  10           HB1      ASN  10   1.373 -15.565  -2.259
   68   HD21  ASN  10          HD21      ASN  10   3.054 -13.242  -2.217
   69   HD22  ASN  10          HD22      ASN  10   4.464 -13.669  -1.307
   70    H    GLU  11           HN       GLU  11  -0.635 -13.941  -3.739
   71    HA   GLU  11           HA       GLU  11   1.196 -12.981  -5.632
   72    HB2  GLU  11           HB2      GLU  11  -0.569 -14.334  -6.442
   73    HB3  GLU  11           HB1      GLU  11  -1.789 -13.400  -5.584
   74    HG2  GLU  11           HG2      GLU  11  -0.938 -11.493  -7.200
   75    HG3  GLU  11           HG1      GLU  11  -0.479 -12.880  -8.191
   76    H    LYS  12           HN       LYS  12  -1.652 -11.395  -4.189
   77    HA   LYS  12           HA       LYS  12  -1.072  -8.875  -5.396
   78    HB2  LYS  12           HB2      LYS  12  -2.906  -9.635  -3.123
   79    HB3  LYS  12           HB1      LYS  12  -2.795  -8.008  -3.789
   80    HG2  LYS  12           HG2      LYS  12  -3.518 -10.419  -5.470
   81    HG3  LYS  12           HG1      LYS  12  -4.719  -9.374  -4.696
   82    HD2  LYS  12           HD2      LYS  12  -3.707  -7.446  -5.940
   83    HD3  LYS  12           HD1      LYS  12  -2.684  -8.605  -6.792
   84    HE2  LYS  12           HE2      LYS  12  -5.664  -8.948  -6.774
   85    HE3  LYS  12           HE1      LYS  12  -4.907  -7.808  -7.885
   86    HZ1  LYS  12           HZ1      LYS  12  -5.268 -10.071  -8.811
   87    HZ2  LYS  12           HZ2      LYS  12  -4.133 -10.675  -7.702
   88    HZ3  LYS  12           HZ3      LYS  12  -3.657  -9.544  -8.875
   89    H    LEU  13           HN       LEU  13  -0.091 -10.482  -2.506
   90    HA   LEU  13           HA       LEU  13   0.980  -8.167  -1.204
   91    HB2  LEU  13           HB2      LEU  13   0.384 -10.401  -0.130
   92    HB3  LEU  13           HB1      LEU  13   1.872 -11.031  -0.808
   93    HG   LEU  13           HG       LEU  13   3.032  -9.120   0.439
   94   HD11  LEU  13          HD11      LEU  13   0.397  -9.138   1.897
   95   HD12  LEU  13          HD12      LEU  13   1.061  -7.800   0.959
   96   HD13  LEU  13          HD13      LEU  13   1.862  -8.320   2.445
   97   HD21  LEU  13          HD21      LEU  13   3.234 -11.453   1.071
   98   HD22  LEU  13          HD22      LEU  13   1.721 -11.355   1.972
   99   HD23  LEU  13          HD23      LEU  13   3.127 -10.430   2.503
  100    H    ASP  14           HN       ASP  14   2.087 -10.378  -3.676
  101    HA   ASP  14           HA       ASP  14   4.848  -9.550  -3.470
  102    HB2  ASP  14           HB2      ASP  14   3.509 -11.750  -4.560
  103    HB3  ASP  14           HB1      ASP  14   4.082 -10.874  -5.965
  104    H    ALA  15           HN       ALA  15   1.987  -8.686  -5.216
  105    HA   ALA  15           HA       ALA  15   3.408  -7.268  -7.282
  106    HB1  ALA  15           HB1      ALA  15   1.281  -8.433  -7.745
  107    HB2  ALA  15           HB2      ALA  15   1.229  -6.728  -8.177
  108    HB3  ALA  15           HB3      ALA  15   0.451  -7.284  -6.698
  109    H    VAL  16           HN       VAL  16   1.903  -6.523  -4.233
  110    HA   VAL  16           HA       VAL  16   1.672  -3.740  -4.656
  111    HB   VAL  16           HB       VAL  16   0.374  -4.643  -2.893
  112   HG11  VAL  16          HG11      VAL  16   1.378  -5.664  -0.889
  113   HG12  VAL  16          HG12      VAL  16   2.970  -5.555  -1.646
  114   HG13  VAL  16          HG13      VAL  16   1.723  -6.586  -2.355
  115   HG21  VAL  16          HG21      VAL  16   2.629  -3.001  -1.727
  116   HG22  VAL  16          HG22      VAL  16   1.034  -3.228  -0.998
  117   HG23  VAL  16          HG23      VAL  16   1.187  -2.373  -2.534
  118    H    MET  17           HN       MET  17   4.215  -5.731  -3.262
  119    HA   MET  17           HA       MET  17   5.787  -3.588  -2.324
  120    HB2  MET  17           HB2      MET  17   6.664  -6.386  -3.103
  121    HB3  MET  17           HB1      MET  17   7.594  -5.246  -2.160
  122    HG2  MET  17           HG2      MET  17   5.932  -5.288  -0.400
  123    HG3  MET  17           HG1      MET  17   4.961  -6.408  -1.349
  124    HE1  MET  17           HE1      MET  17   8.377  -5.915   0.567
  125    HE2  MET  17           HE2      MET  17   8.885  -6.386  -1.054
  126    HE3  MET  17           HE3      MET  17   9.139  -7.483   0.304
  127    H    ARG  18           HN       ARG  18   5.504  -5.127  -5.465
  128    HA   ARG  18           HA       ARG  18   7.914  -4.024  -6.501
  129    HB2  ARG  18           HB2      ARG  18   7.278  -4.913  -8.608
  130    HB3  ARG  18           HB1      ARG  18   6.782  -6.078  -7.390
  131    HG2  ARG  18           HG2      ARG  18   4.502  -5.243  -7.529
  132    HG3  ARG  18           HG1      ARG  18   5.001  -4.085  -8.766
  133    HD2  ARG  18           HD2      ARG  18   5.704  -5.959 -10.197
  134    HD3  ARG  18           HD1      ARG  18   5.171  -7.090  -8.954
  135    HE   ARG  18           HE       ARG  18   3.129  -5.269  -9.911
  136   HH11  ARG  18          HH11      ARG  18   4.636  -8.420 -10.271
  137   HH12  ARG  18          HH12      ARG  18   3.287  -9.100 -11.142
  138   HH21  ARG  18          HH21      ARG  18   1.345  -6.151 -11.045
  139   HH22  ARG  18          HH22      ARG  18   1.423  -7.812 -11.571
  140    H    VAL  19           HN       VAL  19   4.640  -2.885  -6.167
  141    HA   VAL  19           HA       VAL  19   4.998  -0.713  -8.058
  142    HB   VAL  19           HB       VAL  19   2.768  -1.379  -6.114
  143   HG11  VAL  19          HG11      VAL  19   1.456   0.370  -7.241
  144   HG12  VAL  19          HG12      VAL  19   2.890   0.861  -8.135
  145   HG13  VAL  19          HG13      VAL  19   2.843   1.031  -6.379
  146   HG21  VAL  19          HG21      VAL  19   1.528  -2.043  -8.056
  147   HG22  VAL  19          HG22      VAL  19   3.100  -2.845  -8.114
  148   HG23  VAL  19          HG23      VAL  19   2.789  -1.438  -9.130
  149    H    VAL  20           HN       VAL  20   5.098  -1.349  -4.652
  150    HA   VAL  20           HA       VAL  20   5.379   1.332  -3.776
  151    HB   VAL  20           HB       VAL  20   5.979  -1.357  -2.516
  152   HG11  VAL  20          HG11      VAL  20   6.550  -0.206  -0.420
  153   HG12  VAL  20          HG12      VAL  20   6.529   1.340  -1.274
  154   HG13  VAL  20          HG13      VAL  20   7.724   0.114  -1.697
  155   HG21  VAL  20          HG21      VAL  20   4.243  -0.604  -0.913
  156   HG22  VAL  20          HG22      VAL  20   3.652  -0.708  -2.568
  157   HG23  VAL  20          HG23      VAL  20   4.033   0.865  -1.867
  158    H    SER  21           HN       SER  21   7.656  -1.112  -4.949
  159    HA   SER  21           HA       SER  21  10.029   0.096  -4.098
  160    HB2  SER  21           HB2      SER  21   9.547  -1.435  -6.601
  161    HB3  SER  21           HB1      SER  21  11.118  -1.101  -5.926
  162    HG   SER  21           HG       SER  21   9.250  -2.331  -4.271
  163    H    GLU  22           HN       GLU  22   8.324   0.414  -7.147
  164    HA   GLU  22           HA       GLU  22   9.944   2.221  -8.452
  165    HB2  GLU  22           HB2      GLU  22   6.925   2.118  -8.588
  166    HB3  GLU  22           HB1      GLU  22   8.011   2.751  -9.821
  167    HG2  GLU  22           HG2      GLU  22   7.902  -0.120  -8.924
  168    HG3  GLU  22           HG1      GLU  22   7.137   0.529 -10.374
  169    H    GLU  23           HN       GLU  23   7.053   3.014  -6.540
  170    HA   GLU  23           HA       GLU  23   7.405   5.809  -7.101
  171    HB2  GLU  23           HB2      GLU  23   5.380   4.454  -5.302
  172    HB3  GLU  23           HB1      GLU  23   5.269   6.094  -5.913
  173    HG2  GLU  23           HG2      GLU  23   5.092   3.531  -7.462
  174    HG3  GLU  23           HG1      GLU  23   3.816   4.714  -7.203
  175    H    SER  24           HN       SER  24   8.416   3.744  -4.569
  176    HA   SER  24           HA       SER  24   8.691   5.967  -2.679
  177    HB2  SER  24           HB2      SER  24   9.319   3.037  -2.298
  178    HB3  SER  24           HB1      SER  24   9.272   4.272  -1.036
  179    HG   SER  24           HG       SER  24   7.165   3.088  -2.470
  180    H    GLY  25           HN       GLY  25  10.593   3.759  -4.643
  181    HA2  GLY  25           HA2      GLY  25  12.824   4.215  -5.370
  182    HA3  GLY  25           HA1      GLY  25  12.995   5.351  -4.032
  183    H    ILE  26           HN       ILE  26  11.516   2.544  -2.976
  184    HA   ILE  26           HA       ILE  26  14.045   1.546  -1.870
  185    HB   ILE  26           HB       ILE  26  11.331   0.668  -0.920
  186   HG12  ILE  26          HG12      ILE  26  12.843   3.034   0.238
  187   HG13  ILE  26          HG11      ILE  26  11.456   3.186  -0.844
  188   HG21  ILE  26          HG21      ILE  26  12.544   0.251   1.169
  189   HG22  ILE  26          HG22      ILE  26  14.022   0.865   0.425
  190   HG23  ILE  26          HG23      ILE  26  13.268  -0.607  -0.195
  191   HD11  ILE  26          HD11      ILE  26  11.513   1.931   1.897
  192   HD12  ILE  26          HD12      ILE  26  10.115   1.918   0.827
  193   HD13  ILE  26          HD13      ILE  26  10.740   3.449   1.441
  194    H    ALA  27           HN       ALA  27  14.850  -0.004  -3.131
  195    HA   ALA  27           HA       ALA  27  13.478  -1.625  -4.936
  196    HB1  ALA  27           HB1      ALA  27  15.921  -1.231  -4.917
  197    HB2  ALA  27           HB2      ALA  27  15.513  -2.939  -5.029
  198    HB3  ALA  27           HB3      ALA  27  16.052  -2.264  -3.495
  199    H    LEU  28           HN       LEU  28  12.802  -3.769  -4.886
  200    HA   LEU  28           HA       LEU  28  11.238  -4.605  -2.792
  201    HB2  LEU  28           HB2      LEU  28  11.309  -5.437  -5.176
  202    HB3  LEU  28           HB1      LEU  28  12.674  -6.430  -4.722
  203    HG   LEU  28           HG       LEU  28  11.032  -7.406  -2.941
  204   HD11  LEU  28          HD11      LEU  28   9.112  -6.344  -5.016
  205   HD12  LEU  28          HD12      LEU  28   9.223  -5.794  -3.343
  206   HD13  LEU  28          HD13      LEU  28   8.711  -7.446  -3.697
  207   HD21  LEU  28          HD21      LEU  28  10.351  -9.093  -4.573
  208   HD22  LEU  28          HD22      LEU  28  12.044  -8.636  -4.773
  209   HD23  LEU  28          HD23      LEU  28  10.827  -8.009  -5.881
  210    H    GLU  29           HN       GLU  29  14.671  -5.163  -3.260
  211    HA   GLU  29           HA       GLU  29  14.919  -7.267  -1.333
  212    HB2  GLU  29           HB2      GLU  29  17.083  -5.466  -2.412
  213    HB3  GLU  29           HB1      GLU  29  17.294  -7.012  -1.603
  214    HG2  GLU  29           HG2      GLU  29  15.806  -6.682  -4.186
  215    HG3  GLU  29           HG1      GLU  29  17.519  -7.103  -4.081
  216    H    GLU  30           HN       GLU  30  14.749  -3.860  -1.128
  217    HA   GLU  30           HA       GLU  30  15.916  -3.905   1.584
  218    HB2  GLU  30           HB2      GLU  30  15.424  -1.481  -0.151
  219    HB3  GLU  30           HB1      GLU  30  16.313  -1.540   1.367
  220    HG2  GLU  30           HG2      GLU  30  17.960  -3.049   0.201
  221    HG3  GLU  30           HG1      GLU  30  17.132  -2.626  -1.301
  222    H    LEU  31           HN       LEU  31  13.080  -4.051   0.005
  223    HA   LEU  31           HA       LEU  31  11.584  -2.152   1.544
  224    HB2  LEU  31           HB2      LEU  31  11.120  -3.659  -0.764
  225    HB3  LEU  31           HB1      LEU  31  10.029  -4.367   0.418
  226    HG   LEU  31           HG       LEU  31  10.023  -1.641  -0.787
  227   HD11  LEU  31          HD11      LEU  31   7.891  -3.632  -0.049
  228   HD12  LEU  31          HD12      LEU  31   8.552  -3.352  -1.657
  229   HD13  LEU  31          HD13      LEU  31   7.611  -2.092  -0.858
  230   HD21  LEU  31          HD21      LEU  31  10.184  -1.130   1.569
  231   HD22  LEU  31          HD22      LEU  31   8.900  -2.282   1.935
  232   HD23  LEU  31          HD23      LEU  31   8.541  -0.828   1.005
  233    H    THR  32           HN       THR  32  11.855  -2.550   3.660
  234    HA   THR  32           HA       THR  32  11.172  -5.218   4.656
  235    HB   THR  32           HB       THR  32  12.239  -4.540   6.762
  236    HG1  THR  32           HG1      THR  32  13.512  -2.351   6.238
  237   HG21  THR  32          HG21      THR  32  13.745  -5.533   5.152
  238   HG22  THR  32          HG22      THR  32  14.582  -4.203   5.940
  239   HG23  THR  32          HG23      THR  32  13.940  -3.994   4.307
  240    H    ASP  33           HN       ASP  33   9.749  -5.316   6.556
  241    HA   ASP  33           HA       ASP  33   7.440  -3.693   6.076
  242    HB2  ASP  33           HB2      ASP  33   6.344  -5.068   7.709
  243    HB3  ASP  33           HB1      ASP  33   7.369  -6.107   6.726
  244    H    ASP  34           HN       ASP  34  10.192  -3.309   7.916
  245    HA   ASP  34           HA       ASP  34   8.946  -1.860  10.095
  246    HB2  ASP  34           HB2      ASP  34  10.816  -3.373  10.561
  247    HB3  ASP  34           HB1      ASP  34  11.854  -2.433   9.487
  248    H    SER  35           HN       SER  35  10.434  -1.180   7.039
  249    HA   SER  35           HA       SER  35  11.370   1.454   7.674
  250    HB2  SER  35           HB2      SER  35  10.639   0.311   4.956
  251    HB3  SER  35           HB1      SER  35  11.563   1.782   5.244
  252    HG   SER  35           HG       SER  35  12.296  -0.873   5.950
  253    H    ASN  36           HN       ASN  36  10.489   3.441   7.026
  254    HA   ASN  36           HA       ASN  36   7.552   3.383   7.317
  255    HB2  ASN  36           HB2      ASN  36   8.775   4.301   9.262
  256    HB3  ASN  36           HB1      ASN  36   9.520   5.509   8.223
  257   HD21  ASN  36          HD21      ASN  36   6.196   4.481   7.890
  258   HD22  ASN  36          HD22      ASN  36   5.509   5.975   8.405
  259    H    PHE  37           HN       PHE  37   6.392   4.172   5.679
  260    HA   PHE  37           HA       PHE  37   7.417   5.202   3.320
  261    HB2  PHE  37           HB2      PHE  37   4.702   5.354   4.601
  262    HB3  PHE  37           HB1      PHE  37   5.019   6.180   3.078
  263    HD1  PHE  37           HD1      PHE  37   6.377   4.552   1.338
  264    HD2  PHE  37           HD2      PHE  37   3.726   3.333   4.434
  265    HE1  PHE  37           HE1      PHE  37   5.947   2.442   0.137
  266    HE2  PHE  37           HE2      PHE  37   3.291   1.237   3.255
  267    HZ   PHE  37           HZ       PHE  37   4.508   0.803   1.016
  268    H    ALA  38           HN       ALA  38   6.002   6.966   6.066
  269    HA   ALA  38           HA       ALA  38   6.333   9.548   4.966
  270    HB1  ALA  38           HB1      ALA  38   4.752   9.063   6.747
  271    HB2  ALA  38           HB2      ALA  38   5.870  10.344   7.224
  272    HB3  ALA  38           HB3      ALA  38   6.083   8.709   7.849
  273    H    ASP  39           HN       ASP  39   8.464   7.486   6.836
  274    HA   ASP  39           HA       ASP  39  10.349   9.513   7.538
  275    HB2  ASP  39           HB2      ASP  39  10.110   7.307   8.732
  276    HB3  ASP  39           HB1      ASP  39  10.833   6.532   7.327
  277    H    MET  40           HN       MET  40   9.890   7.325   4.893
  278    HA   MET  40           HA       MET  40  12.474   7.727   3.716
  279    HB2  MET  40           HB2      MET  40  11.002   5.677   3.505
  280    HB3  MET  40           HB1      MET  40  10.029   6.616   2.374
  281    HG2  MET  40           HG2      MET  40  11.531   5.363   1.083
  282    HG3  MET  40           HG1      MET  40  12.096   7.032   1.093
  283    HE1  MET  40           HE1      MET  40  12.500   4.596   4.139
  284    HE2  MET  40           HE2      MET  40  14.040   3.818   3.776
  285    HE3  MET  40           HE3      MET  40  12.625   3.488   2.775
  286    H    GLY  41           HN       GLY  41   9.458   9.360   3.641
  287    HA2  GLY  41           HA2      GLY  41   9.439  11.651   2.855
  288    HA3  GLY  41           HA1      GLY  41  10.586  11.181   1.605
  289    H    ILE  42           HN       ILE  42   7.894   9.100   2.267
  290    HA   ILE  42           HA       ILE  42   6.858   9.365  -0.360
  291    HB   ILE  42           HB       ILE  42   5.700   8.078   2.121
  292   HG12  ILE  42          HG12      ILE  42   7.749   7.107   1.084
  293   HG13  ILE  42          HG11      ILE  42   6.370   6.013   1.070
  294   HG21  ILE  42          HG21      ILE  42   4.604   8.057  -0.686
  295   HG22  ILE  42          HG22      ILE  42   3.830   8.728   0.752
  296   HG23  ILE  42          HG23      ILE  42   4.076   6.986   0.613
  297   HD11  ILE  42          HD11      ILE  42   7.544   5.888  -1.026
  298   HD12  ILE  42          HD12      ILE  42   7.404   7.634  -1.243
  299   HD13  ILE  42          HD13      ILE  42   5.961   6.622  -1.281
  300    H    ASP  43           HN       ASP  43   5.996  11.166  -1.046
  301    HA   ASP  43           HA       ASP  43   4.617  13.000   0.720
  302    HB2  ASP  43           HB2      ASP  43   6.143  13.805  -1.038
  303    HB3  ASP  43           HB1      ASP  43   5.110  13.091  -2.267
  304    H    SER  44           HN       SER  44   2.500  13.972  -0.102
  305    HA   SER  44           HA       SER  44   0.444  12.088  -0.178
  306    HB2  SER  44           HB2      SER  44  -0.927  14.095  -1.015
  307    HB3  SER  44           HB1      SER  44  -0.073  14.313   0.518
  308    H    LEU  45           HN       LEU  45   2.113  13.807  -2.777
  309    HA   LEU  45           HA       LEU  45   0.561  12.971  -4.948
  310    HB2  LEU  45           HB2      LEU  45   2.445  14.695  -4.906
  311    HB3  LEU  45           HB1      LEU  45   3.567  13.349  -4.958
  312    HG   LEU  45           HG       LEU  45   3.112  14.553  -7.137
  313   HD11  LEU  45          HD11      LEU  45   3.091  12.485  -8.466
  314   HD12  LEU  45          HD12      LEU  45   2.645  11.578  -7.019
  315   HD13  LEU  45          HD13      LEU  45   4.205  12.396  -7.101
  316   HD21  LEU  45          HD21      LEU  45   0.716  14.816  -6.935
  317   HD22  LEU  45          HD22      LEU  45   0.501  13.065  -6.918
  318   HD23  LEU  45          HD23      LEU  45   1.107  13.864  -8.368
  319    H    SER  46           HN       SER  46   3.516  11.476  -3.598
  320    HA   SER  46           HA       SER  46   3.523   9.256  -5.321
  321    HB2  SER  46           HB2      SER  46   4.671   9.442  -2.522
  322    HB3  SER  46           HB1      SER  46   5.141   8.284  -3.768
  323    HG   SER  46           HG       SER  46   6.293   9.766  -4.724
  324    H    SER  47           HN       SER  47   2.134   9.735  -2.109
  325    HA   SER  47           HA       SER  47   1.270   7.110  -1.637
  326    HB2  SER  47           HB2      SER  47   0.007   9.709  -0.731
  327    HB3  SER  47           HB1      SER  47  -0.309   8.117  -0.039
  328    HG   SER  47           HG       SER  47   2.107   9.595  -0.003
  329    H    MET  48           HN       MET  48  -0.239   9.787  -3.365
  330    HA   MET  48           HA       MET  48  -2.761   8.533  -3.758
  331    HB2  MET  48           HB2      MET  48  -2.452  10.967  -4.042
  332    HB3  MET  48           HB1      MET  48  -1.363  10.681  -5.383
  333    HG2  MET  48           HG2      MET  48  -3.393   9.447  -6.424
  334    HG3  MET  48           HG1      MET  48  -4.330  10.405  -5.279
  335    HE1  MET  48           HE1      MET  48  -0.996  11.362  -7.183
  336    HE2  MET  48           HE2      MET  48  -1.663  12.155  -8.610
  337    HE3  MET  48           HE3      MET  48  -1.931  10.430  -8.350
  338    H    VAL  49           HN       VAL  49   0.165   8.865  -5.653
  339    HA   VAL  49           HA       VAL  49  -0.679   7.590  -7.989
  340    HB   VAL  49           HB       VAL  49   2.064   7.910  -6.741
  341   HG11  VAL  49          HG11      VAL  49   2.081   5.875  -8.081
  342   HG12  VAL  49          HG12      VAL  49   3.026   7.143  -8.858
  343   HG13  VAL  49          HG13      VAL  49   1.413   6.748  -9.457
  344   HG21  VAL  49          HG21      VAL  49   2.420   9.509  -8.561
  345   HG22  VAL  49          HG22      VAL  49   1.014   9.963  -7.604
  346   HG23  VAL  49          HG23      VAL  49   0.797   9.196  -9.176
  347    H    ILE  50           HN       ILE  50   1.202   6.185  -5.270
  348    HA   ILE  50           HA       ILE  50   1.278   3.563  -6.078
  349    HB   ILE  50           HB       ILE  50   0.905   4.558  -3.248
  350   HG12  ILE  50          HG12      ILE  50   3.423   3.993  -4.827
  351   HG13  ILE  50          HG11      ILE  50   2.819   5.590  -4.401
  352   HG21  ILE  50          HG21      ILE  50   2.039   1.959  -4.266
  353   HG22  ILE  50          HG22      ILE  50   0.492   2.169  -3.444
  354   HG23  ILE  50          HG23      ILE  50   1.998   2.482  -2.581
  355   HD11  ILE  50          HD11      ILE  50   4.620   4.969  -2.942
  356   HD12  ILE  50          HD12      ILE  50   3.792   3.476  -2.502
  357   HD13  ILE  50          HD13      ILE  50   3.117   5.035  -2.025
  358    H    GLY  51           HN       GLY  51  -1.236   5.071  -4.052
  359    HA2  GLY  51           HA2      GLY  51  -2.913   2.832  -3.833
  360    HA3  GLY  51           HA1      GLY  51  -3.434   4.505  -3.693
  361    H    SER  52           HN       SER  52  -2.729   5.337  -6.304
  362    HA   SER  52           HA       SER  52  -5.006   4.488  -7.782
  363    HB2  SER  52           HB2      SER  52  -3.471   6.686  -7.970
  364    HB3  SER  52           HB1      SER  52  -2.734   5.729  -9.265
  365    HG   SER  52           HG       SER  52  -4.901   7.157  -9.435
  366    H    ARG  53           HN       ARG  53  -1.546   3.679  -8.061
  367    HA   ARG  53           HA       ARG  53  -1.904   2.096 -10.390
  368    HB2  ARG  53           HB2      ARG  53   0.354   1.787  -8.402
  369    HB3  ARG  53           HB1      ARG  53   0.361   1.346 -10.103
  370    HG2  ARG  53           HG2      ARG  53  -0.102   3.936 -10.405
  371    HG3  ARG  53           HG1      ARG  53   0.669   4.008  -8.824
  372    HD2  ARG  53           HD2      ARG  53   2.635   4.004  -9.893
  373    HD3  ARG  53           HD1      ARG  53   2.308   2.318 -10.306
  374    HE   ARG  53           HE       ARG  53   1.028   3.509 -12.280
  375   HH11  ARG  53          HH11      ARG  53   4.190   4.277 -10.978
  376   HH12  ARG  53          HH12      ARG  53   4.774   4.913 -12.486
  377   HH21  ARG  53          HH21      ARG  53   1.805   4.328 -14.253
  378   HH22  ARG  53          HH22      ARG  53   3.421   4.957 -14.343
  379    H    PHE  54           HN       PHE  54  -2.344   1.495  -7.018
  380    HA   PHE  54           HA       PHE  54  -2.462  -1.315  -6.997
  381    HB2  PHE  54           HB2      PHE  54  -4.034   0.799  -5.505
  382    HB3  PHE  54           HB1      PHE  54  -4.327  -0.918  -5.266
  383    HD1  PHE  54           HD1      PHE  54  -1.037  -0.845  -5.953
  384    HD2  PHE  54           HD2      PHE  54  -3.724   0.373  -2.913
  385    HE1  PHE  54           HE1      PHE  54   0.805  -0.909  -4.320
  386    HE2  PHE  54           HE2      PHE  54  -1.910   0.281  -1.247
  387    HZ   PHE  54           HZ       PHE  54   0.292  -0.372  -1.878
  388    H    ARG  55           HN       ARG  55  -4.820   1.131  -7.914
  389    HA   ARG  55           HA       ARG  55  -6.856  -0.786  -8.542
  390    HB2  ARG  55           HB2      ARG  55  -6.906   2.021  -9.577
  391    HB3  ARG  55           HB1      ARG  55  -8.228   1.029  -8.983
  392    HG2  ARG  55           HG2      ARG  55  -7.157   1.271  -6.683
  393    HG3  ARG  55           HG1      ARG  55  -6.171   2.537  -7.416
  394    HD2  ARG  55           HD2      ARG  55  -9.155   2.464  -7.087
  395    HD3  ARG  55           HD1      ARG  55  -8.010   3.657  -6.472
  396    HE   ARG  55           HE       ARG  55  -7.819   3.663  -9.256
  397   HH11  ARG  55          HH11      ARG  55 -10.134   4.520  -6.776
  398   HH12  ARG  55          HH12      ARG  55 -10.990   5.652  -7.779
  399   HH21  ARG  55          HH21      ARG  55  -8.908   5.150 -10.574
  400   HH22  ARG  55          HH22      ARG  55 -10.271   6.021  -9.945
  401    H    GLU  56           HN       GLU  56  -4.282   0.844 -10.219
  402    HA   GLU  56           HA       GLU  56  -5.206   0.394 -12.880
  403    HB2  GLU  56           HB2      GLU  56  -2.451   0.960 -11.779
  404    HB3  GLU  56           HB1      GLU  56  -2.796   0.822 -13.494
  405    HG2  GLU  56           HG2      GLU  56  -4.302   2.732 -13.358
  406    HG3  GLU  56           HG1      GLU  56  -3.983   2.863 -11.626
  407    H    ASP  57           HN       ASP  57  -2.558  -1.122 -11.057
  408    HA   ASP  57           HA       ASP  57  -2.267  -3.103 -13.165
  409    HB2  ASP  57           HB2      ASP  57  -0.295  -1.933 -12.242
  410    HB3  ASP  57           HB1      ASP  57  -0.622  -2.640 -10.665
  411    H    LEU  58           HN       LEU  58  -3.280  -2.960  -9.807
  412    HA   LEU  58           HA       LEU  58  -3.317  -5.881  -9.670
  413    HB2  LEU  58           HB2      LEU  58  -3.454  -3.754  -7.544
  414    HB3  LEU  58           HB1      LEU  58  -3.840  -5.430  -7.206
  415    HG   LEU  58           HG       LEU  58  -1.571  -6.095  -7.874
  416   HD11  LEU  58          HD11      LEU  58  -1.202  -4.257  -9.481
  417   HD12  LEU  58          HD12      LEU  58   0.136  -4.481  -8.357
  418   HD13  LEU  58          HD13      LEU  58  -0.998  -3.149  -8.124
  419   HD21  LEU  58          HD21      LEU  58  -0.404  -5.198  -5.965
  420   HD22  LEU  58          HD22      LEU  58  -2.082  -5.536  -5.534
  421   HD23  LEU  58          HD23      LEU  58  -1.566  -3.875  -5.839
  422    H    GLY  59           HN       GLY  59  -5.430  -3.082  -9.319
  423    HA2  GLY  59           HA2      GLY  59  -7.701  -3.073  -9.966
  424    HA3  GLY  59           HA1      GLY  59  -7.724  -4.824  -9.825
  425    H    LEU  60           HN       LEU  60  -6.414  -2.736  -7.334
  426    HA   LEU  60           HA       LEU  60  -8.305  -3.779  -5.417
  427    HB2  LEU  60           HB2      LEU  60  -6.059  -1.800  -5.160
  428    HB3  LEU  60           HB1      LEU  60  -7.071  -2.283  -3.818
  429    HG   LEU  60           HG       LEU  60  -5.357  -4.187  -5.413
  430   HD11  LEU  60          HD11      LEU  60  -4.865  -2.934  -2.713
  431   HD12  LEU  60          HD12      LEU  60  -3.979  -2.577  -4.196
  432   HD13  LEU  60          HD13      LEU  60  -3.874  -4.182  -3.467
  433   HD21  LEU  60          HD21      LEU  60  -5.812  -5.714  -3.550
  434   HD22  LEU  60          HD22      LEU  60  -7.299  -5.230  -4.365
  435   HD23  LEU  60          HD23      LEU  60  -6.864  -4.503  -2.817
  436    H    ASP  61           HN       ASP  61 -10.324  -2.956  -5.627
  437    HA   ASP  61           HA       ASP  61 -10.659  -0.109  -6.138
  438    HB2  ASP  61           HB2      ASP  61 -12.623  -2.397  -6.096
  439    HB3  ASP  61           HB1      ASP  61 -13.140  -0.714  -6.182
  440    H    LEU  62           HN       LEU  62  -9.639   0.208  -3.950
  441    HA   LEU  62           HA       LEU  62 -11.475  -0.123  -1.722
  442    HB2  LEU  62           HB2      LEU  62  -8.768   1.192  -1.923
  443    HB3  LEU  62           HB1      LEU  62  -9.679   1.023  -0.435
  444    HG   LEU  62           HG       LEU  62  -8.774  -1.321  -2.102
  445   HD11  LEU  62          HD11      LEU  62  -6.848  -0.065  -1.299
  446   HD12  LEU  62          HD12      LEU  62  -7.001  -1.606  -0.456
  447   HD13  LEU  62          HD13      LEU  62  -7.490  -0.111   0.343
  448   HD21  LEU  62          HD21      LEU  62  -9.810  -1.104   0.728
  449   HD22  LEU  62          HD22      LEU  62  -9.232  -2.580  -0.044
  450   HD23  LEU  62          HD23      LEU  62 -10.678  -1.777  -0.652
  451    H    GLY  63           HN       GLY  63 -11.074   2.031  -4.201
  452    HA2  GLY  63           HA2      GLY  63 -12.754   3.823  -4.397
  453    HA3  GLY  63           HA1      GLY  63 -12.504   4.101  -2.681
  454    HA   PRO  64           HA       PRO  64  -9.573   6.874  -5.002
  455    HB2  PRO  64           HB2      PRO  64 -10.958   9.148  -5.248
  456    HB3  PRO  64           HB1      PRO  64 -11.177   7.813  -6.394
  457    HG2  PRO  64           HG2      PRO  64 -12.894   8.641  -4.097
  458    HG3  PRO  64           HG1      PRO  64 -13.374   8.061  -5.697
  459    HD2  PRO  64           HD2      PRO  64 -13.264   6.517  -3.373
  460    HD3  PRO  64           HD1      PRO  64 -13.303   5.887  -5.031
  461    H    GLU  65           HN       GLU  65 -11.333   6.861  -2.157
  462    HA   GLU  65           HA       GLU  65 -10.243   9.308  -1.044
  463    HB2  GLU  65           HB2      GLU  65 -12.629   8.465  -0.701
  464    HB3  GLU  65           HB1      GLU  65 -11.945   7.232   0.351
  465    HG2  GLU  65           HG2      GLU  65 -11.122   8.944   1.865
  466    HG3  GLU  65           HG1      GLU  65 -11.712  10.212   0.788
  467    H    PHE  66           HN       PHE  66  -8.964   6.418  -1.570
  468    HA   PHE  66           HA       PHE  66  -7.761   5.989   1.049
  469    HB2  PHE  66           HB2      PHE  66  -8.567   4.050  -0.252
  470    HB3  PHE  66           HB1      PHE  66  -7.451   4.458  -1.547
  471    HD1  PHE  66           HD2      PHE  66  -7.667   3.256   1.942
  472    HD2  PHE  66           HD1      PHE  66  -5.194   3.824  -1.477
  473    HE1  PHE  66           HE2      PHE  66  -5.924   1.864   2.970
  474    HE2  PHE  66           HE1      PHE  66  -3.456   2.430  -0.453
  475    HZ   PHE  66           HZ       PHE  66  -3.812   1.449   1.776
  476    H    SER  67           HN       SER  67  -5.949   6.954   1.595
  477    HA   SER  67           HA       SER  67  -3.882   7.381  -0.429
  478    HB2  SER  67           HB2      SER  67  -4.813   9.508   1.515
  479    HB3  SER  67           HB1      SER  67  -3.462   9.660   0.392
  480    HG   SER  67           HG       SER  67  -5.692   8.879  -0.913
  481    H    LEU  68           HN       LEU  68  -2.034   6.563   0.265
  482    HA   LEU  68           HA       LEU  68  -1.716   5.311   2.732
  483    HB2  LEU  68           HB2      LEU  68   0.436   6.338   0.889
  484    HB3  LEU  68           HB1      LEU  68   0.706   5.232   2.215
  485    HG   LEU  68           HG       LEU  68  -0.817   4.700  -0.332
  486   HD11  LEU  68          HD11      LEU  68   1.691   3.554   0.882
  487   HD12  LEU  68          HD12      LEU  68   1.569   4.533  -0.582
  488   HD13  LEU  68          HD13      LEU  68   0.882   2.905  -0.544
  489   HD21  LEU  68          HD21      LEU  68  -1.184   2.439   0.564
  490   HD22  LEU  68          HD22      LEU  68  -2.026   3.671   1.503
  491   HD23  LEU  68          HD23      LEU  68  -0.532   2.963   2.117
  492    H    PHE  69           HN       PHE  69  -0.593   8.479   1.685
  493    HA   PHE  69           HA       PHE  69   1.076   9.123   3.808
  494    HB2  PHE  69           HB2      PHE  69   0.820  10.312   1.597
  495    HB3  PHE  69           HB1      PHE  69  -0.636  11.070   2.235
  496    HD1  PHE  69           HD1      PHE  69   2.361  10.465   4.295
  497    HD2  PHE  69           HD2      PHE  69   0.168  13.280   1.980
  498    HE1  PHE  69           HE1      PHE  69   3.752  12.287   5.196
  499    HE2  PHE  69           HE2      PHE  69   1.548  15.110   2.883
  500    HZ   PHE  69           HZ       PHE  69   3.343  14.610   4.493
  501    H    ILE  70           HN       ILE  70  -2.293   8.715   3.946
  502    HA   ILE  70           HA       ILE  70  -2.443  10.462   6.318
  503    HB   ILE  70           HB       ILE  70  -4.713   9.754   4.419
  504   HG12  ILE  70          HG12      ILE  70  -3.415  12.401   5.139
  505   HG13  ILE  70          HG11      ILE  70  -3.213  11.544   3.617
  506   HG21  ILE  70          HG21      ILE  70  -6.143  11.117   5.848
  507   HG22  ILE  70          HG22      ILE  70  -4.816  11.343   6.987
  508   HG23  ILE  70          HG23      ILE  70  -5.497   9.738   6.734
  509   HD11  ILE  70          HD11      ILE  70  -5.556  11.856   3.093
  510   HD12  ILE  70          HD12      ILE  70  -4.785  13.406   3.427
  511   HD13  ILE  70          HD13      ILE  70  -5.818  12.653   4.644
  512    H    ASP  71           HN       ASP  71  -3.334   7.300   4.978
  513    HA   ASP  71           HA       ASP  71  -4.262   6.535   7.675
  514    HB2  ASP  71           HB2      ASP  71  -6.052   6.714   5.931
  515    HB3  ASP  71           HB1      ASP  71  -5.274   5.397   5.062
  516    H    CYS  72           HN       CYS  72  -1.622   6.147   5.947
  517    HA   CYS  72           HA       CYS  72  -1.177   3.427   6.882
  518    HB2  CYS  72           HB2      CYS  72  -0.752   4.232   3.998
  519    HB3  CYS  72           HB1      CYS  72  -0.195   2.725   4.717
  520    HG   CYS  72           HG       CYS  72  -3.330   2.868   5.422
  521    H    THR  73           HN       THR  73   0.634   3.474   7.997
  522    HA   THR  73           HA       THR  73   2.378   5.801   7.606
  523    HB   THR  73           HB       THR  73   3.105   5.323   9.951
  524    HG1  THR  73           HG1      THR  73   1.742   3.827  11.129
  525   HG21  THR  73          HG21      THR  73   0.949   6.006  10.995
  526   HG22  THR  73          HG22      THR  73   0.143   5.682   9.456
  527   HG23  THR  73          HG23      THR  73   1.360   6.952   9.563
  528    H    THR  74           HN       THR  74   3.059   2.544   8.979
  529    HA   THR  74           HA       THR  74   5.614   2.545   7.615
  530    HB   THR  74           HB       THR  74   6.042   0.435   8.779
  531    HG1  THR  74           HG1      THR  74   4.260  -0.135  10.369
  532   HG21  THR  74          HG21      THR  74   4.761   2.490  10.583
  533   HG22  THR  74          HG22      THR  74   6.417   2.547   9.977
  534   HG23  THR  74          HG23      THR  74   5.925   1.260  11.078
  535    H    VAL  75           HN       VAL  75   6.020  -0.110   6.888
  536    HA   VAL  75           HA       VAL  75   4.476  -0.084   4.449
  537    HB   VAL  75           HB       VAL  75   6.958  -1.520   5.284
  538   HG11  VAL  75          HG11      VAL  75   5.613  -3.227   4.186
  539   HG12  VAL  75          HG12      VAL  75   6.952  -2.734   3.155
  540   HG13  VAL  75          HG13      VAL  75   5.326  -2.142   2.828
  541   HG21  VAL  75          HG21      VAL  75   7.795  -0.463   3.210
  542   HG22  VAL  75          HG22      VAL  75   7.167   0.713   4.366
  543   HG23  VAL  75          HG23      VAL  75   6.195   0.247   2.965
  544    H    ARG  76           HN       ARG  76   5.103  -2.056   7.231
  545    HA   ARG  76           HA       ARG  76   3.550  -4.279   6.695
  546    HB2  ARG  76           HB2      ARG  76   5.127  -3.795   8.623
  547    HB3  ARG  76           HB1      ARG  76   3.774  -2.987   9.397
  548    HG2  ARG  76           HG2      ARG  76   3.750  -5.100  10.294
  549    HG3  ARG  76           HG1      ARG  76   2.520  -5.200   9.027
  550    HD2  ARG  76           HD2      ARG  76   4.135  -6.245   7.526
  551    HD3  ARG  76           HD1      ARG  76   5.386  -6.111   8.761
  552    HE   ARG  76           HE       ARG  76   3.025  -7.870   8.917
  553   HH11  ARG  76          HH11      ARG  76   6.291  -7.026   9.926
  554   HH12  ARG  76          HH12      ARG  76   6.547  -8.546  10.740
  555   HH21  ARG  76          HH21      ARG  76   3.384  -9.850   9.995
  556   HH22  ARG  76          HH22      ARG  76   4.913 -10.133  10.783
  557    H    ALA  77           HN       ALA  77   2.655  -1.062   7.815
  558    HA   ALA  77           HA       ALA  77   0.015  -1.587   8.603
  559    HB1  ALA  77           HB1      ALA  77   1.185   0.511   9.122
  560    HB2  ALA  77           HB2      ALA  77  -0.375   0.801   8.359
  561    HB3  ALA  77           HB3      ALA  77   1.105   0.973   7.424
  562    H    LEU  78           HN       LEU  78   1.383  -0.863   5.425
  563    HA   LEU  78           HA       LEU  78  -1.101  -0.758   4.022
  564    HB2  LEU  78           HB2      LEU  78   1.453  -0.148   3.426
  565    HB3  LEU  78           HB1      LEU  78   1.356  -1.704   2.647
  566    HG   LEU  78           HG       LEU  78  -0.482   0.612   2.073
  567   HD11  LEU  78          HD11      LEU  78   2.069  -0.292   0.735
  568   HD12  LEU  78          HD12      LEU  78   1.731   1.279   1.462
  569   HD13  LEU  78          HD13      LEU  78   0.903   0.798  -0.020
  570   HD21  LEU  78          HD21      LEU  78   0.026  -1.933   0.536
  571   HD22  LEU  78          HD22      LEU  78  -1.000  -0.596   0.023
  572   HD23  LEU  78          HD23      LEU  78  -1.436  -1.544   1.451
  573    H    LYS  79           HN       LYS  79   1.388  -3.219   4.461
  574    HA   LYS  79           HA       LYS  79   0.306  -5.382   3.082
  575    HB2  LYS  79           HB2      LYS  79   1.852  -5.442   5.674
  576    HB3  LYS  79           HB1      LYS  79   1.734  -6.748   4.498
  577    HG2  LYS  79           HG2      LYS  79   2.854  -4.060   3.791
  578    HG3  LYS  79           HG1      LYS  79   3.859  -5.332   4.478
  579    HD2  LYS  79           HD2      LYS  79   4.071  -6.244   2.459
  580    HD3  LYS  79           HD1      LYS  79   2.321  -6.443   2.362
  581    HE2  LYS  79           HE2      LYS  79   3.794  -3.913   1.656
  582    HE3  LYS  79           HE1      LYS  79   3.303  -5.135   0.483
  583    HZ1  LYS  79           HZ1      LYS  79   1.451  -3.629   2.252
  584    HZ2  LYS  79           HZ2      LYS  79   1.005  -4.746   1.063
  585    HZ3  LYS  79           HZ3      LYS  79   1.733  -3.284   0.623
  586    H    ASP  80           HN       ASP  80   0.048  -4.679   6.529
  587    HA   ASP  80           HA       ASP  80  -1.707  -6.703   7.249
  588    HB2  ASP  80           HB2      ASP  80  -0.510  -5.459   8.926
  589    HB3  ASP  80           HB1      ASP  80  -1.264  -3.952   8.419
  590    H    PHE  81           HN       PHE  81  -2.366  -3.551   5.890
  591    HA   PHE  81           HA       PHE  81  -5.162  -3.566   6.368
  592    HB2  PHE  81           HB2      PHE  81  -3.847  -1.500   5.914
  593    HB3  PHE  81           HB1      PHE  81  -3.648  -2.026   4.242
  594    HD1  PHE  81           HD1      PHE  81  -6.220  -1.160   6.777
  595    HD2  PHE  81           HD2      PHE  81  -5.257  -1.517   2.650
  596    HE1  PHE  81           HE1      PHE  81  -8.357  -0.093   6.189
  597    HE2  PHE  81           HE2      PHE  81  -7.393  -0.450   2.056
  598    HZ   PHE  81           HZ       PHE  81  -8.945   0.262   3.827
  599    H    MET  82           HN       MET  82  -3.134  -4.673   3.744
  600    HA   MET  82           HA       MET  82  -5.159  -5.055   1.815
  601    HB2  MET  82           HB2      MET  82  -2.658  -6.698   2.051
  602    HB3  MET  82           HB1      MET  82  -3.577  -6.342   0.593
  603    HG2  MET  82           HG2      MET  82  -2.973  -3.983   0.788
  604    HG3  MET  82           HG1      MET  82  -2.045  -4.350   2.242
  605    HE1  MET  82           HE1      MET  82  -2.520  -5.222  -1.499
  606    HE2  MET  82           HE2      MET  82  -0.879  -4.968  -2.098
  607    HE3  MET  82           HE3      MET  82  -1.784  -3.621  -1.390
  608    H    LEU  83           HN       LEU  83  -3.758  -7.270   4.215
  609    HA   LEU  83           HA       LEU  83  -5.587  -9.366   3.457
  610    HB2  LEU  83           HB2      LEU  83  -3.598  -9.183   5.729
  611    HB3  LEU  83           HB1      LEU  83  -4.562 -10.604   5.389
  612    HG   LEU  83           HG       LEU  83  -3.430 -10.657   3.097
  613   HD11  LEU  83          HD11      LEU  83  -1.278  -9.541   2.897
  614   HD12  LEU  83          HD12      LEU  83  -1.547  -8.729   4.441
  615   HD13  LEU  83          HD13      LEU  83  -2.592  -8.375   3.065
  616   HD21  LEU  83          HD21      LEU  83  -1.411 -11.749   3.957
  617   HD22  LEU  83          HD22      LEU  83  -2.823 -12.213   4.908
  618   HD23  LEU  83          HD23      LEU  83  -1.682 -11.021   5.541
  619    H    GLY  84           HN       GLY  84  -5.189  -7.123   6.146
  620    HA2  GLY  84           HA2      GLY  84  -7.891  -7.893   7.075
  621    HA3  GLY  84           HA1      GLY  84  -6.642  -7.236   8.125
  622    H    SER  85           HN       SER  85  -8.861  -6.492   5.504
  623    HA   SER  85           HA       SER  85  -8.149  -3.708   5.401
  624    HB2  SER  85           HB2      SER  85 -10.533  -5.092   4.157
  625    HB3  SER  85           HB1      SER  85  -9.807  -3.561   3.660
  626    HG   SER  85           HG       SER  85  -7.811  -5.062   3.492
  627    H    GLY  86           HN       GLY  86  -8.949  -4.393   8.000
  628    HA2  GLY  86           HA2      GLY  86 -10.158  -3.249   9.632
  629    HA3  GLY  86           HA1      GLY  86 -11.144  -2.528   8.367
  630    H    ASP  87           HN       ASP  87 -10.536  -5.513  10.125
  631    HA   ASP  87           HA       ASP  87 -13.027  -6.709   9.222
  632    HB2  ASP  87           HB2      ASP  87 -11.051  -7.763  11.261
  633    HB3  ASP  87           HB1      ASP  87 -12.305  -8.678  10.433
  634    H    ALA  88           HN       ALA  88 -13.083  -4.279  10.861
  635    HA   ALA  88           HA       ALA  88 -14.096  -3.331  12.645
  636    HB1  ALA  88           HB1      ALA  88 -15.545  -5.966  12.840
  637    HB2  ALA  88           HB2      ALA  88 -16.066  -4.556  11.919
  638    HB3  ALA  88           HB3      ALA  88 -15.993  -4.483  13.679
  639    H    GLY  89           HN       GLY  89 -12.083  -3.249  13.693
  640    HA2  GLY  89           HA2      GLY  89 -11.933  -4.059  16.298
  641    HA3  GLY  89           HA1      GLY  89 -11.217  -5.389  15.396
  642   H282  PNS  90          H28A      PNS  44  -0.272  16.013  -3.993
  643   H281  PNS  90          H28B      PNS  44  -0.835  14.513  -3.251
  644   H303  PNS  90          H30A      PNS  44  -3.339  17.061  -5.522
  645   H302  PNS  90          H30B      PNS  44  -1.585  17.242  -5.451
  646   H301  PNS  90          H30C      PNS  44  -2.576  17.697  -4.065
  647   H313  PNS  90          H31A      PNS  44  -2.117  13.605  -5.082
  648   H312  PNS  90          H31B      PNS  44  -1.350  14.846  -6.073
  649   H311  PNS  90          H31C      PNS  44  -3.102  14.654  -6.098
  650    H32  PNS  90          H32A      PNS  44  -3.621  15.849  -2.617
  651    H33  PNS  90          H33A      PNS  44  -5.185  16.374  -3.944
  652    H36  PNS  90          H36A      PNS  44  -5.552  13.692  -3.692
  653   H372  PNS  90          H37A      PNS  44  -4.386  11.145  -3.513
  654   H371  PNS  90          H37B      PNS  44  -4.964  11.621  -1.918
  655   H382  PNS  90          H38A      PNS  44  -6.648  11.546  -4.423
  656   H381  PNS  90          H38B      PNS  44  -6.600  10.281  -3.201
  657    H41  PNS  90          H41A      PNS  44  -6.220  12.707  -1.295
  658   H422  PNS  90          H42A      PNS  44  -8.506  14.281  -1.204
  659   H421  PNS  90          H42B      PNS  44  -8.836  12.822  -0.262
  660   H431  PNS  90          H43A      PNS  44  -6.992  13.263   1.189
  661   H432  PNS  90          H43B      PNS  44  -7.960  14.733   1.079
  662    H44  PNS  90           H1       PNS  44  -5.298  15.505   1.160
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1 -15.207   1.780   7.724
    2    H2   ALA   1           HT2      ALA   1 -14.563   2.281   9.203
    3    H3   ALA   1           HT3      ALA   1 -16.190   1.804   9.106
    4    HA   ALA   1           HA       ALA   1 -13.861   0.041   8.622
    5    HB1  ALA   1           HB1      ALA   1 -15.692   0.190  11.011
    6    HB2  ALA   1           HB2      ALA   1 -14.013   0.727  10.960
    7    HB3  ALA   1           HB3      ALA   1 -14.399  -0.982  10.762
    8    H    MET   2           HN       MET   2 -14.353  -2.001   7.964
    9    HA   MET   2           HA       MET   2 -17.210  -2.584   7.549
   10    HB2  MET   2           HB2      MET   2 -14.820  -3.354   5.869
   11    HB3  MET   2           HB1      MET   2 -16.391  -4.117   5.691
   12    HG2  MET   2           HG2      MET   2 -16.243  -2.480   4.012
   13    HG3  MET   2           HG1      MET   2 -17.331  -1.832   5.236
   14    HE1  MET   2           HE1      MET   2 -17.076   0.602   4.171
   15    HE2  MET   2           HE2      MET   2 -16.010  -0.078   2.942
   16    HE3  MET   2           HE3      MET   2 -15.518   1.359   3.841
   17    H    ALA   3           HN       ALA   3 -17.944  -4.679   8.091
   18    HA   ALA   3           HA       ALA   3 -16.463  -6.037  10.101
   19    HB1  ALA   3           HB1      ALA   3 -18.320  -7.605  10.149
   20    HB2  ALA   3           HB2      ALA   3 -18.926  -6.948   8.630
   21    HB3  ALA   3           HB3      ALA   3 -18.923  -5.950  10.084
   22    H    LYS   4           HN       LYS   4 -16.473  -6.137   6.793
   23    HA   LYS   4           HA       LYS   4 -14.602  -8.375   6.808
   24    HB2  LYS   4           HB2      LYS   4 -16.870  -9.231   6.102
   25    HB3  LYS   4           HB1      LYS   4 -16.776  -8.147   4.721
   26    HG2  LYS   4           HG2      LYS   4 -14.792  -9.311   3.921
   27    HG3  LYS   4           HG1      LYS   4 -14.845 -10.379   5.327
   28    HD2  LYS   4           HD2      LYS   4 -17.188 -11.014   4.558
   29    HD3  LYS   4           HD1      LYS   4 -16.793 -10.201   3.040
   30    HE2  LYS   4           HE2      LYS   4 -16.349 -12.574   2.829
   31    HE3  LYS   4           HE1      LYS   4 -14.831 -11.680   2.797
   32    HZ1  LYS   4           HZ1      LYS   4 -14.465 -12.240   5.098
   33    HZ2  LYS   4           HZ2      LYS   4 -14.707 -13.655   4.197
   34    HZ3  LYS   4           HZ3      LYS   4 -15.954 -13.052   5.174
   35    H    GLY   5           HN       GLY   5 -12.791  -7.779   5.796
   36    HA2  GLY   5           HA2      GLY   5 -12.792  -5.226   4.394
   37    HA3  GLY   5           HA1      GLY   5 -11.378  -6.115   4.938
   38    H    VAL   6           HN       VAL   6 -10.463  -5.693   2.873
   39    HA   VAL   6           HA       VAL   6 -11.642  -6.685   0.471
   40    HB   VAL   6           HB       VAL   6  -8.728  -6.096   0.941
   41   HG11  VAL   6          HG11      VAL   6 -10.408  -6.103  -1.558
   42   HG12  VAL   6          HG12      VAL   6  -9.139  -7.253  -1.132
   43   HG13  VAL   6          HG13      VAL   6  -8.729  -5.571  -1.468
   44   HG21  VAL   6          HG21      VAL   6 -10.051  -4.185   1.665
   45   HG22  VAL   6          HG22      VAL   6 -10.907  -4.180   0.124
   46   HG23  VAL   6          HG23      VAL   6  -9.182  -3.816   0.175
   47    H    GLY   7           HN       GLY   7  -8.548  -7.712   1.933
   48    HA2  GLY   7           HA2      GLY   7  -7.875  -9.877   2.526
   49    HA3  GLY   7           HA1      GLY   7  -9.431 -10.480   1.963
   50    H    VAL   8           HN       VAL   8  -6.169  -9.699   1.072
   51    HA   VAL   8           HA       VAL   8  -6.709 -10.606  -1.671
   52    HB   VAL   8           HB       VAL   8  -4.892  -9.296  -2.476
   53   HG11  VAL   8          HG11      VAL   8  -5.474  -7.033  -1.807
   54   HG12  VAL   8          HG12      VAL   8  -6.343  -7.656  -0.408
   55   HG13  VAL   8          HG13      VAL   8  -6.914  -8.020  -2.036
   56   HG21  VAL   8          HG21      VAL   8  -4.140  -8.813   0.403
   57   HG22  VAL   8          HG22      VAL   8  -3.415  -7.989  -0.980
   58   HG23  VAL   8          HG23      VAL   8  -3.229  -9.736  -0.800
   59    H    SER   9           HN       SER   9  -5.084 -11.926  -2.695
   60    HA   SER   9           HA       SER   9  -4.023 -13.947  -0.998
   61    HB2  SER   9           HB2      SER   9  -3.362 -13.449  -3.908
   62    HB3  SER   9           HB1      SER   9  -3.250 -14.975  -3.031
   63    HG   SER   9           HG       SER   9  -5.571 -14.837  -2.757
   64    H    ASN  10           HN       ASN  10  -1.694 -14.600  -1.077
   65    HA   ASN  10           HA       ASN  10   0.091 -12.548  -0.366
   66    HB2  ASN  10           HB2      ASN  10   0.603 -14.746   0.385
   67    HB3  ASN  10           HB1      ASN  10   0.518 -15.407  -1.245
   68   HD21  ASN  10          HD21      ASN  10   2.435 -13.501   0.982
   69   HD22  ASN  10          HD22      ASN  10   3.927 -13.642   0.117
   70    H    GLU  11           HN       GLU  11  -0.787 -13.970  -3.381
   71    HA   GLU  11           HA       GLU  11   1.106 -13.077  -5.148
   72    HB2  GLU  11           HB2      GLU  11  -0.626 -14.412  -6.001
   73    HB3  GLU  11           HB1      GLU  11  -1.877 -13.413  -5.281
   74    HG2  GLU  11           HG2      GLU  11  -1.194 -11.620  -6.941
   75    HG3  GLU  11           HG1      GLU  11  -0.237 -12.876  -7.732
   76    H    LYS  12           HN       LYS  12  -1.768 -11.194  -4.075
   77    HA   LYS  12           HA       LYS  12  -0.918  -8.857  -5.461
   78    HB2  LYS  12           HB2      LYS  12  -2.927  -9.336  -3.284
   79    HB3  LYS  12           HB1      LYS  12  -2.486  -7.697  -3.735
   80    HG2  LYS  12           HG2      LYS  12  -4.280  -7.968  -5.107
   81    HG3  LYS  12           HG1      LYS  12  -3.035  -8.630  -6.170
   82    HD2  LYS  12           HD2      LYS  12  -3.586 -10.891  -5.343
   83    HD3  LYS  12           HD1      LYS  12  -4.868 -10.179  -4.351
   84    HE2  LYS  12           HE2      LYS  12  -6.127  -9.545  -6.241
   85    HE3  LYS  12           HE1      LYS  12  -4.781  -9.831  -7.345
   86    HZ1  LYS  12           HZ1      LYS  12  -6.081 -11.970  -5.755
   87    HZ2  LYS  12           HZ2      LYS  12  -4.955 -12.159  -7.015
   88    HZ3  LYS  12           HZ3      LYS  12  -6.519 -11.592  -7.347
   89    H    LEU  13           HN       LEU  13  -0.239 -10.190  -2.314
   90    HA   LEU  13           HA       LEU  13   0.908  -7.815  -1.222
   91    HB2  LEU  13           HB2      LEU  13   0.028  -9.946  -0.019
   92    HB3  LEU  13           HB1      LEU  13   1.630 -10.596  -0.331
   93    HG   LEU  13           HG       LEU  13   1.835  -7.958   0.840
   94   HD11  LEU  13          HD11      LEU  13   0.928  -8.453   3.029
   95   HD12  LEU  13          HD12      LEU  13   0.317 -10.003   2.448
   96   HD13  LEU  13          HD13      LEU  13  -0.342  -8.497   1.808
   97   HD21  LEU  13          HD21      LEU  13   2.671 -10.690   1.804
   98   HD22  LEU  13          HD22      LEU  13   3.240  -9.143   2.437
   99   HD23  LEU  13          HD23      LEU  13   3.620  -9.615   0.778
  100    H    ASP  14           HN       ASP  14   2.142 -10.378  -3.312
  101    HA   ASP  14           HA       ASP  14   4.849  -9.497  -3.004
  102    HB2  ASP  14           HB2      ASP  14   3.390 -11.571  -4.557
  103    HB3  ASP  14           HB1      ASP  14   4.881 -10.976  -5.239
  104    H    ALA  15           HN       ALA  15   2.121  -8.797  -5.056
  105    HA   ALA  15           HA       ALA  15   3.666  -7.514  -7.135
  106    HB1  ALA  15           HB1      ALA  15   1.568  -7.054  -8.192
  107    HB2  ALA  15           HB2      ALA  15   0.686  -7.353  -6.696
  108    HB3  ALA  15           HB3      ALA  15   1.478  -8.690  -7.530
  109    H    VAL  16           HN       VAL  16   1.837  -6.536  -4.305
  110    HA   VAL  16           HA       VAL  16   1.679  -3.811  -4.814
  111    HB   VAL  16           HB       VAL  16   0.436  -4.658  -2.968
  112   HG11  VAL  16          HG11      VAL  16   3.064  -5.382  -1.668
  113   HG12  VAL  16          HG12      VAL  16   1.911  -6.519  -2.366
  114   HG13  VAL  16          HG13      VAL  16   1.461  -5.567  -0.951
  115   HG21  VAL  16          HG21      VAL  16   1.136  -2.364  -2.721
  116   HG22  VAL  16          HG22      VAL  16   2.665  -2.868  -1.995
  117   HG23  VAL  16          HG23      VAL  16   1.142  -3.146  -1.140
  118    H    MET  17           HN       MET  17   4.320  -5.740  -3.616
  119    HA   MET  17           HA       MET  17   5.835  -3.572  -2.609
  120    HB2  MET  17           HB2      MET  17   6.804  -6.326  -3.421
  121    HB3  MET  17           HB1      MET  17   7.661  -5.171  -2.421
  122    HG2  MET  17           HG2      MET  17   5.806  -5.277  -0.783
  123    HG3  MET  17           HG1      MET  17   5.100  -6.563  -1.750
  124    HE1  MET  17           HE1      MET  17   6.189  -8.954  -2.056
  125    HE2  MET  17           HE2      MET  17   7.787  -9.378  -1.440
  126    HE3  MET  17           HE3      MET  17   7.626  -8.161  -2.704
  127    H    ARG  18           HN       ARG  18   5.557  -5.076  -5.770
  128    HA   ARG  18           HA       ARG  18   7.928  -3.893  -6.802
  129    HB2  ARG  18           HB2      ARG  18   7.406  -4.785  -8.869
  130    HB3  ARG  18           HB1      ARG  18   6.625  -5.908  -7.771
  131    HG2  ARG  18           HG2      ARG  18   4.494  -4.915  -8.179
  132    HG3  ARG  18           HG1      ARG  18   5.228  -3.637  -9.153
  133    HD2  ARG  18           HD2      ARG  18   6.022  -5.308 -10.751
  134    HD3  ARG  18           HD1      ARG  18   5.317  -6.588  -9.771
  135    HE   ARG  18           HE       ARG  18   3.237  -4.890 -10.384
  136   HH11  ARG  18          HH11      ARG  18   5.522  -6.878 -12.138
  137   HH12  ARG  18          HH12      ARG  18   4.490  -7.059 -13.527
  138   HH21  ARG  18          HH21      ARG  18   1.842  -5.169 -12.193
  139   HH22  ARG  18          HH22      ARG  18   2.401  -6.112 -13.546
  140    H    VAL  19           HN       VAL  19   4.619  -2.890  -6.410
  141    HA   VAL  19           HA       VAL  19   4.865  -0.635  -8.199
  142    HB   VAL  19           HB       VAL  19   2.720  -1.422  -6.207
  143   HG11  VAL  19          HG11      VAL  19   1.341   0.324  -7.323
  144   HG12  VAL  19          HG12      VAL  19   2.797   0.888  -8.136
  145   HG13  VAL  19          HG13      VAL  19   2.685   0.965  -6.382
  146   HG21  VAL  19          HG21      VAL  19   2.772  -1.495  -9.229
  147   HG22  VAL  19          HG22      VAL  19   1.419  -1.970  -8.208
  148   HG23  VAL  19          HG23      VAL  19   2.920  -2.894  -8.159
  149    H    VAL  20           HN       VAL  20   4.919  -1.307  -4.782
  150    HA   VAL  20           HA       VAL  20   5.217   1.317  -3.839
  151    HB   VAL  20           HB       VAL  20   5.923  -1.394  -2.711
  152   HG11  VAL  20          HG11      VAL  20   6.644  -0.327  -0.624
  153   HG12  VAL  20          HG12      VAL  20   6.503   1.259  -1.385
  154   HG13  VAL  20          HG13      VAL  20   7.709   0.111  -1.962
  155   HG21  VAL  20          HG21      VAL  20   4.252  -0.759  -1.026
  156   HG22  VAL  20          HG22      VAL  20   3.581  -0.665  -2.653
  157   HG23  VAL  20          HG23      VAL  20   4.055   0.808  -1.811
  158    H    SER  21           HN       SER  21   7.661  -1.121  -4.810
  159    HA   SER  21           HA       SER  21   9.879   0.410  -4.018
  160    HB2  SER  21           HB2      SER  21   9.480  -1.894  -5.804
  161    HB3  SER  21           HB1      SER  21  11.031  -1.076  -5.842
  162    HG   SER  21           HG       SER  21  11.288  -1.534  -3.668
  163    H    GLU  22           HN       GLU  22   8.157   0.248  -7.082
  164    HA   GLU  22           HA       GLU  22   9.885   1.879  -8.565
  165    HB2  GLU  22           HB2      GLU  22   6.908   1.466  -8.822
  166    HB3  GLU  22           HB1      GLU  22   7.896   2.305 -10.012
  167    HG2  GLU  22           HG2      GLU  22   8.267  -0.562  -9.175
  168    HG3  GLU  22           HG1      GLU  22   7.421  -0.024 -10.628
  169    H    GLU  23           HN       GLU  23   7.054   2.740  -6.599
  170    HA   GLU  23           HA       GLU  23   7.330   5.517  -7.327
  171    HB2  GLU  23           HB2      GLU  23   5.406   4.147  -5.436
  172    HB3  GLU  23           HB1      GLU  23   5.349   5.853  -5.832
  173    HG2  GLU  23           HG2      GLU  23   4.986   3.550  -7.734
  174    HG3  GLU  23           HG1      GLU  23   3.740   4.658  -7.161
  175    H    SER  24           HN       SER  24   8.299   3.522  -4.650
  176    HA   SER  24           HA       SER  24   8.797   5.792  -2.923
  177    HB2  SER  24           HB2      SER  24   9.728   4.126  -1.361
  178    HB3  SER  24           HB1      SER  24   8.111   3.684  -1.894
  179    HG   SER  24           HG       SER  24   8.922   2.073  -3.102
  180    H    GLY  25           HN       GLY  25  10.680   3.453  -4.805
  181    HA2  GLY  25           HA2      GLY  25  12.744   4.045  -5.899
  182    HA3  GLY  25           HA1      GLY  25  12.972   5.310  -4.697
  183    H    ILE  26           HN       ILE  26  11.895   2.536  -3.178
  184    HA   ILE  26           HA       ILE  26  14.580   2.047  -2.140
  185    HB   ILE  26           HB       ILE  26  12.130   0.655  -1.113
  186   HG12  ILE  26          HG12      ILE  26  12.989   3.388  -0.134
  187   HG13  ILE  26          HG11      ILE  26  11.703   3.173  -1.326
  188   HG21  ILE  26          HG21      ILE  26  14.673   1.633   0.169
  189   HG22  ILE  26          HG22      ILE  26  14.286  -0.031  -0.264
  190   HG23  ILE  26          HG23      ILE  26  13.374   0.784   1.007
  191   HD11  ILE  26          HD11      ILE  26  10.824   3.455   0.935
  192   HD12  ILE  26          HD12      ILE  26  11.730   2.039   1.469
  193   HD13  ILE  26          HD13      ILE  26  10.432   1.860   0.288
  194    H    ALA  27           HN       ALA  27  15.709   0.244  -2.569
  195    HA   ALA  27           HA       ALA  27  14.985  -1.596  -4.558
  196    HB1  ALA  27           HB1      ALA  27  17.012  -2.007  -2.363
  197    HB2  ALA  27           HB2      ALA  27  17.308  -1.050  -3.813
  198    HB3  ALA  27           HB3      ALA  27  16.986  -2.779  -3.946
  199    H    LEU  28           HN       LEU  28  14.281  -3.704  -4.490
  200    HA   LEU  28           HA       LEU  28  12.259  -4.348  -2.677
  201    HB2  LEU  28           HB2      LEU  28  13.248  -5.413  -5.032
  202    HB3  LEU  28           HB1      LEU  28  13.611  -6.660  -3.856
  203    HG   LEU  28           HG       LEU  28  11.545  -7.275  -4.757
  204   HD11  LEU  28          HD11      LEU  28   9.926  -7.029  -2.931
  205   HD12  LEU  28          HD12      LEU  28  10.950  -5.785  -2.208
  206   HD13  LEU  28          HD13      LEU  28  11.540  -7.443  -2.346
  207   HD21  LEU  28          HD21      LEU  28   9.645  -5.761  -5.004
  208   HD22  LEU  28          HD22      LEU  28  11.043  -5.217  -5.931
  209   HD23  LEU  28          HD23      LEU  28  10.631  -4.425  -4.412
  210    H    GLU  29           HN       GLU  29  15.696  -5.117  -2.664
  211    HA   GLU  29           HA       GLU  29  15.526  -7.180  -0.708
  212    HB2  GLU  29           HB2      GLU  29  17.953  -5.535  -1.397
  213    HB3  GLU  29           HB1      GLU  29  17.907  -7.143  -0.685
  214    HG2  GLU  29           HG2      GLU  29  16.896  -6.477  -3.432
  215    HG3  GLU  29           HG1      GLU  29  18.491  -7.148  -3.092
  216    H    GLU  30           HN       GLU  30  15.292  -3.835  -0.512
  217    HA   GLU  30           HA       GLU  30  16.174  -3.815   2.291
  218    HB2  GLU  30           HB2      GLU  30  15.659  -1.426   0.518
  219    HB3  GLU  30           HB1      GLU  30  16.350  -1.430   2.144
  220    HG2  GLU  30           HG2      GLU  30  17.605  -2.396  -0.399
  221    HG3  GLU  30           HG1      GLU  30  18.121  -1.076   0.647
  222    H    LEU  31           HN       LEU  31  13.463  -4.123   0.474
  223    HA   LEU  31           HA       LEU  31  11.783  -2.304   1.944
  224    HB2  LEU  31           HB2      LEU  31  11.373  -2.969  -0.444
  225    HB3  LEU  31           HB1      LEU  31  10.957  -4.578   0.122
  226    HG   LEU  31           HG       LEU  31   9.074  -3.647   1.393
  227   HD11  LEU  31          HD11      LEU  31  10.027  -1.434   1.827
  228   HD12  LEU  31          HD12      LEU  31   8.418  -1.323   1.112
  229   HD13  LEU  31          HD13      LEU  31   9.848  -1.026   0.121
  230   HD21  LEU  31          HD21      LEU  31   9.123  -2.834  -1.508
  231   HD22  LEU  31          HD22      LEU  31   7.677  -3.024  -0.517
  232   HD23  LEU  31          HD23      LEU  31   8.691  -4.422  -0.874
  233    H    THR  32           HN       THR  32  11.840  -2.807   4.043
  234    HA   THR  32           HA       THR  32  10.634  -5.377   4.830
  235    HB   THR  32           HB       THR  32  11.969  -5.440   6.825
  236    HG1  THR  32           HG1      THR  32  12.894  -3.706   7.666
  237   HG21  THR  32          HG21      THR  32  13.787  -4.593   4.551
  238   HG22  THR  32          HG22      THR  32  13.197  -6.230   4.857
  239   HG23  THR  32          HG23      THR  32  14.288  -5.459   6.005
  240    H    ASP  33           HN       ASP  33   9.509  -5.123   7.037
  241    HA   ASP  33           HA       ASP  33   7.709  -2.925   6.807
  242    HB2  ASP  33           HB2      ASP  33   6.668  -3.798   8.889
  243    HB3  ASP  33           HB1      ASP  33   6.805  -4.988   7.604
  244    H    ASP  34           HN       ASP  34  10.758  -3.044   8.035
  245    HA   ASP  34           HA       ASP  34  10.456  -1.262  10.258
  246    HB2  ASP  34           HB2      ASP  34  12.924  -1.809   8.588
  247    HB3  ASP  34           HB1      ASP  34  12.887  -1.039  10.173
  248    H    SER  35           HN       SER  35  10.522  -0.934   6.850
  249    HA   SER  35           HA       SER  35  11.476   1.774   6.759
  250    HB2  SER  35           HB2      SER  35   9.860   0.260   4.692
  251    HB3  SER  35           HB1      SER  35  10.812   1.717   4.418
  252    HG   SER  35           HG       SER  35  12.356  -0.148   5.559
  253    H    ASN  36           HN       ASN  36  10.263   3.658   6.375
  254    HA   ASN  36           HA       ASN  36   7.414   3.442   7.083
  255    HB2  ASN  36           HB2      ASN  36   8.675   4.119   9.079
  256    HB3  ASN  36           HB1      ASN  36   9.432   5.433   8.188
  257   HD21  ASN  36          HD21      ASN  36   6.106   4.703   7.632
  258   HD22  ASN  36          HD22      ASN  36   5.457   6.052   8.500
  259    H    PHE  37           HN       PHE  37   6.204   4.293   5.512
  260    HA   PHE  37           HA       PHE  37   7.254   5.298   3.161
  261    HB2  PHE  37           HB2      PHE  37   4.508   5.376   4.363
  262    HB3  PHE  37           HB1      PHE  37   4.833   6.222   2.851
  263    HD1  PHE  37           HD1      PHE  37   6.206   4.785   1.118
  264    HD2  PHE  37           HD2      PHE  37   3.731   3.196   4.189
  265    HE1  PHE  37           HE1      PHE  37   6.001   2.704  -0.143
  266    HE2  PHE  37           HE2      PHE  37   3.518   1.091   2.929
  267    HZ   PHE  37           HZ       PHE  37   4.656   0.845   0.754
  268    H    ALA  38           HN       ALA  38   5.615   7.136   5.722
  269    HA   ALA  38           HA       ALA  38   6.086   9.658   4.515
  270    HB1  ALA  38           HB1      ALA  38   5.412   8.949   7.360
  271    HB2  ALA  38           HB2      ALA  38   4.259   9.248   6.057
  272    HB3  ALA  38           HB3      ALA  38   5.293  10.555   6.640
  273    H    ASP  39           HN       ASP  39   7.972   7.650   6.633
  274    HA   ASP  39           HA       ASP  39   9.750   9.759   7.455
  275    HB2  ASP  39           HB2      ASP  39   9.265   7.802   8.891
  276    HB3  ASP  39           HB1      ASP  39  10.079   6.775   7.716
  277    H    MET  40           HN       MET  40   9.506   7.601   4.827
  278    HA   MET  40           HA       MET  40  12.282   7.800   4.083
  279    HB2  MET  40           HB2      MET  40  10.894   5.760   3.695
  280    HB3  MET  40           HB1      MET  40   9.921   6.675   2.554
  281    HG2  MET  40           HG2      MET  40  12.865   6.425   2.179
  282    HG3  MET  40           HG1      MET  40  11.789   5.118   1.706
  283    HE1  MET  40           HE1      MET  40  12.960   5.426  -0.740
  284    HE2  MET  40           HE2      MET  40  13.861   6.836  -0.176
  285    HE3  MET  40           HE3      MET  40  12.894   6.933  -1.649
  286    H    GLY  41           HN       GLY  41   9.307   9.433   3.501
  287    HA2  GLY  41           HA2      GLY  41   9.579  11.763   2.698
  288    HA3  GLY  41           HA1      GLY  41  10.661  11.118   1.471
  289    H    ILE  42           HN       ILE  42   8.017   9.097   2.066
  290    HA   ILE  42           HA       ILE  42   6.880   9.535  -0.501
  291    HB   ILE  42           HB       ILE  42   5.847   8.027   1.910
  292   HG12  ILE  42          HG12      ILE  42   7.883   7.178   0.749
  293   HG13  ILE  42          HG11      ILE  42   6.527   6.060   0.739
  294   HG21  ILE  42          HG21      ILE  42   3.907   8.674   0.685
  295   HG22  ILE  42          HG22      ILE  42   4.234   6.974   0.338
  296   HG23  ILE  42          HG23      ILE  42   4.657   8.213  -0.845
  297   HD11  ILE  42          HD11      ILE  42   7.624   6.043  -1.400
  298   HD12  ILE  42          HD12      ILE  42   7.441   7.791  -1.550
  299   HD13  ILE  42          HD13      ILE  42   6.018   6.749  -1.572
  300    H    ASP  43           HN       ASP  43   5.917  11.387  -0.990
  301    HA   ASP  43           HA       ASP  43   4.570  13.003   0.993
  302    HB2  ASP  43           HB2      ASP  43   4.553  13.360  -2.013
  303    HB3  ASP  43           HB1      ASP  43   4.144  14.568  -0.804
  304    H    SER  44           HN       SER  44   2.375  13.976   0.214
  305    HA   SER  44           HA       SER  44   0.330  12.078   0.191
  306    HB2  SER  44           HB2      SER  44  -1.043  14.050  -0.716
  307    HB3  SER  44           HB1      SER  44  -0.184  14.338   0.806
  308    H    LEU  45           HN       LEU  45   2.102  13.643  -2.361
  309    HA   LEU  45           HA       LEU  45   0.516  12.872  -4.554
  310    HB2  LEU  45           HB2      LEU  45   2.335  14.644  -4.473
  311    HB3  LEU  45           HB1      LEU  45   3.507  13.340  -4.538
  312    HG   LEU  45           HG       LEU  45   3.039  14.565  -6.697
  313   HD11  LEU  45          HD11      LEU  45   3.079  12.543  -8.073
  314   HD12  LEU  45          HD12      LEU  45   2.612  11.583  -6.669
  315   HD13  LEU  45          HD13      LEU  45   4.167  12.418  -6.692
  316   HD21  LEU  45          HD21      LEU  45   0.628  14.764  -6.491
  317   HD22  LEU  45          HD22      LEU  45   0.464  13.009  -6.550
  318   HD23  LEU  45          HD23      LEU  45   1.057  13.886  -7.960
  319    H    SER  46           HN       SER  46   3.616  11.507  -3.435
  320    HA   SER  46           HA       SER  46   3.687   9.338  -5.169
  321    HB2  SER  46           HB2      SER  46   4.829   9.196  -2.391
  322    HB3  SER  46           HB1      SER  46   5.524   8.619  -3.907
  323    HG   SER  46           HG       SER  46   6.619  10.446  -3.634
  324    H    SER  47           HN       SER  47   2.414   9.518  -1.854
  325    HA   SER  47           HA       SER  47   1.816   6.763  -1.641
  326    HB2  SER  47           HB2      SER  47   0.416   7.483   0.306
  327    HB3  SER  47           HB1      SER  47   2.070   8.091   0.347
  328    HG   SER  47           HG       SER  47   1.381  10.088  -0.081
  329    H    MET  48           HN       MET  48   0.080   9.472  -2.963
  330    HA   MET  48           HA       MET  48  -2.460   8.137  -3.084
  331    HB2  MET  48           HB2      MET  48  -2.055  10.664  -3.097
  332    HB3  MET  48           HB1      MET  48  -1.586  10.473  -4.778
  333    HG2  MET  48           HG2      MET  48  -3.919  11.188  -4.557
  334    HG3  MET  48           HG1      MET  48  -3.777   9.609  -5.335
  335    HE1  MET  48           HE1      MET  48  -7.136   9.310  -3.324
  336    HE2  MET  48           HE2      MET  48  -6.374   9.226  -4.914
  337    HE3  MET  48           HE3      MET  48  -6.513  10.775  -4.081
  338    H    VAL  49           HN       VAL  49   0.311   8.591  -5.156
  339    HA   VAL  49           HA       VAL  49  -0.828   7.631  -7.554
  340    HB   VAL  49           HB       VAL  49   2.029   7.856  -6.564
  341   HG11  VAL  49          HG11      VAL  49   2.801   7.297  -8.793
  342   HG12  VAL  49          HG12      VAL  49   1.144   6.993  -9.318
  343   HG13  VAL  49          HG13      VAL  49   1.890   5.953  -8.104
  344   HG21  VAL  49          HG21      VAL  49   0.516   9.362  -8.714
  345   HG22  VAL  49          HG22      VAL  49   2.189   9.643  -8.234
  346   HG23  VAL  49          HG23      VAL  49   0.882   9.966  -7.095
  347    H    ILE  50           HN       ILE  50   1.193   6.071  -5.070
  348    HA   ILE  50           HA       ILE  50   1.283   3.518  -6.070
  349    HB   ILE  50           HB       ILE  50   1.000   4.255  -3.159
  350   HG12  ILE  50          HG12      ILE  50   3.506   3.965  -4.828
  351   HG13  ILE  50          HG11      ILE  50   2.791   5.506  -4.372
  352   HG21  ILE  50          HG21      ILE  50   2.275   1.868  -4.483
  353   HG22  ILE  50          HG22      ILE  50   0.732   1.872  -3.629
  354   HG23  ILE  50          HG23      ILE  50   2.227   2.194  -2.749
  355   HD11  ILE  50          HD11      ILE  50   3.827   3.443  -2.454
  356   HD12  ILE  50          HD12      ILE  50   3.179   5.027  -2.035
  357   HD13  ILE  50          HD13      ILE  50   4.681   4.901  -2.952
  358    H    GLY  51           HN       GLY  51  -1.145   4.831  -3.798
  359    HA2  GLY  51           HA2      GLY  51  -2.786   2.552  -3.691
  360    HA3  GLY  51           HA1      GLY  51  -3.313   4.194  -3.351
  361    H    SER  52           HN       SER  52  -2.947   5.375  -5.827
  362    HA   SER  52           HA       SER  52  -5.205   4.603  -7.311
  363    HB2  SER  52           HB2      SER  52  -3.800   6.824  -7.456
  364    HB3  SER  52           HB1      SER  52  -2.891   5.945  -8.690
  365    HG   SER  52           HG       SER  52  -4.500   6.091 -10.025
  366    H    ARG  53           HN       ARG  53  -1.790   3.779  -7.773
  367    HA   ARG  53           HA       ARG  53  -2.191   2.470 -10.238
  368    HB2  ARG  53           HB2      ARG  53   0.096   2.333  -8.306
  369    HB3  ARG  53           HB1      ARG  53   0.099   1.595  -9.911
  370    HG2  ARG  53           HG2      ARG  53  -0.528   3.885 -10.800
  371    HG3  ARG  53           HG1      ARG  53  -0.104   4.499  -9.200
  372    HD2  ARG  53           HD2      ARG  53   1.883   4.782 -10.288
  373    HD3  ARG  53           HD1      ARG  53   2.124   3.191  -9.586
  374    HE   ARG  53           HE       ARG  53   1.040   2.972 -12.206
  375   HH11  ARG  53          HH11      ARG  53   3.994   3.845 -10.541
  376   HH12  ARG  53          HH12      ARG  53   5.031   3.250 -11.798
  377   HH21  ARG  53          HH21      ARG  53   2.427   2.158 -13.866
  378   HH22  ARG  53          HH22      ARG  53   4.148   2.305 -13.680
  379    H    PHE  54           HN       PHE  54  -2.593   1.436  -6.957
  380    HA   PHE  54           HA       PHE  54  -2.607  -1.363  -7.278
  381    HB2  PHE  54           HB2      PHE  54  -4.299   0.457  -5.541
  382    HB3  PHE  54           HB1      PHE  54  -4.402  -1.293  -5.474
  383    HD1  PHE  54           HD1      PHE  54  -1.155  -0.953  -6.134
  384    HD2  PHE  54           HD2      PHE  54  -3.880  -0.010  -3.018
  385    HE1  PHE  54           HE1      PHE  54   0.693  -0.974  -4.525
  386    HE2  PHE  54           HE2      PHE  54  -2.031  -0.046  -1.385
  387    HZ   PHE  54           HZ       PHE  54   0.164  -0.556  -2.040
  388    H    ARG  55           HN       ARG  55  -5.021   1.107  -7.903
  389    HA   ARG  55           HA       ARG  55  -7.108  -0.727  -8.573
  390    HB2  ARG  55           HB2      ARG  55  -6.927   2.218  -9.249
  391    HB3  ARG  55           HB1      ARG  55  -8.386   1.238  -9.121
  392    HG2  ARG  55           HG2      ARG  55  -7.932   0.945  -6.713
  393    HG3  ARG  55           HG1      ARG  55  -6.532   2.006  -6.875
  394    HD2  ARG  55           HD2      ARG  55  -8.315   3.336  -6.049
  395    HD3  ARG  55           HD1      ARG  55  -8.094   3.769  -7.744
  396    HE   ARG  55           HE       ARG  55 -10.082   1.729  -7.326
  397   HH11  ARG  55          HH11      ARG  55  -9.483   5.167  -7.465
  398   HH12  ARG  55          HH12      ARG  55 -11.135   5.575  -7.802
  399   HH21  ARG  55          HH21      ARG  55 -12.268   2.249  -7.730
  400   HH22  ARG  55          HH22      ARG  55 -12.720   3.919  -7.930
  401    H    GLU  56           HN       GLU  56  -4.516   0.818 -10.242
  402    HA   GLU  56           HA       GLU  56  -5.618   0.518 -12.873
  403    HB2  GLU  56           HB2      GLU  56  -2.790   1.084 -11.973
  404    HB3  GLU  56           HB1      GLU  56  -3.327   1.110 -13.645
  405    HG2  GLU  56           HG2      GLU  56  -4.938   2.913 -12.996
  406    HG3  GLU  56           HG1      GLU  56  -4.136   2.957 -11.424
  407    H    ASP  57           HN       ASP  57  -2.803  -0.966 -11.281
  408    HA   ASP  57           HA       ASP  57  -2.616  -2.880 -13.453
  409    HB2  ASP  57           HB2      ASP  57  -0.603  -1.756 -12.548
  410    HB3  ASP  57           HB1      ASP  57  -0.864  -2.567 -11.007
  411    H    LEU  58           HN       LEU  58  -3.151  -2.975  -9.952
  412    HA   LEU  58           HA       LEU  58  -3.299  -5.871 -10.003
  413    HB2  LEU  58           HB2      LEU  58  -3.332  -3.809  -7.818
  414    HB3  LEU  58           HB1      LEU  58  -3.844  -5.453  -7.488
  415    HG   LEU  58           HG       LEU  58  -1.641  -6.301  -8.109
  416   HD11  LEU  58          HD11      LEU  58  -0.848  -3.422  -8.522
  417   HD12  LEU  58          HD12      LEU  58  -1.099  -4.601  -9.808
  418   HD13  LEU  58          HD13      LEU  58   0.203  -4.837  -8.643
  419   HD21  LEU  58          HD21      LEU  58  -1.513  -4.007  -6.154
  420   HD22  LEU  58          HD22      LEU  58  -0.355  -5.335  -6.260
  421   HD23  LEU  58          HD23      LEU  58  -2.026  -5.660  -5.796
  422    H    GLY  59           HN       GLY  59  -5.435  -3.157  -9.940
  423    HA2  GLY  59           HA2      GLY  59  -7.707  -3.139 -10.394
  424    HA3  GLY  59           HA1      GLY  59  -7.694  -4.895 -10.380
  425    H    LEU  60           HN       LEU  60  -6.479  -2.898  -7.786
  426    HA   LEU  60           HA       LEU  60  -8.387  -4.109  -5.952
  427    HB2  LEU  60           HB2      LEU  60  -6.126  -2.189  -5.419
  428    HB3  LEU  60           HB1      LEU  60  -7.040  -3.061  -4.208
  429    HG   LEU  60           HG       LEU  60  -5.307  -4.384  -6.293
  430   HD11  LEU  60          HD11      LEU  60  -4.723  -3.783  -3.398
  431   HD12  LEU  60          HD12      LEU  60  -3.958  -3.031  -4.796
  432   HD13  LEU  60          HD13      LEU  60  -3.714  -4.749  -4.476
  433   HD21  LEU  60          HD21      LEU  60  -6.510  -5.514  -3.768
  434   HD22  LEU  60          HD22      LEU  60  -5.618  -6.393  -5.013
  435   HD23  LEU  60          HD23      LEU  60  -7.205  -5.719  -5.374
  436    H    ASP  61           HN       ASP  61 -10.358  -3.101  -5.941
  437    HA   ASP  61           HA       ASP  61 -10.510  -0.274  -6.515
  438    HB2  ASP  61           HB2      ASP  61 -12.127  -1.997  -7.465
  439    HB3  ASP  61           HB1      ASP  61 -12.833  -2.083  -5.851
  440    H    LEU  62           HN       LEU  62  -9.376   0.360  -4.659
  441    HA   LEU  62           HA       LEU  62 -10.330  -0.191  -2.030
  442    HB2  LEU  62           HB2      LEU  62  -8.392   1.887  -3.028
  443    HB3  LEU  62           HB1      LEU  62  -8.602   1.422  -1.349
  444    HG   LEU  62           HG       LEU  62  -7.720  -0.508  -3.480
  445   HD11  LEU  62          HD11      LEU  62  -6.137   1.334  -3.422
  446   HD12  LEU  62          HD12      LEU  62  -5.435  -0.120  -2.711
  447   HD13  LEU  62          HD13      LEU  62  -6.010   1.183  -1.670
  448   HD21  LEU  62          HD21      LEU  62  -8.559  -1.554  -1.468
  449   HD22  LEU  62          HD22      LEU  62  -7.527  -0.525  -0.474
  450   HD23  LEU  62          HD23      LEU  62  -6.802  -1.724  -1.543
  451    H    GLY  63           HN       GLY  63  -9.821   2.988  -3.495
  452    HA2  GLY  63           HA2      GLY  63 -12.324   4.075  -3.491
  453    HA3  GLY  63           HA1      GLY  63 -11.779   4.186  -1.823
  454    HA   PRO  64           HA       PRO  64  -9.742   7.537  -4.495
  455    HB2  PRO  64           HB2      PRO  64 -11.533   9.542  -4.573
  456    HB3  PRO  64           HB1      PRO  64 -11.525   8.240  -5.775
  457    HG2  PRO  64           HG2      PRO  64 -13.293   8.616  -3.406
  458    HG3  PRO  64           HG1      PRO  64 -13.703   8.021  -5.018
  459    HD2  PRO  64           HD2      PRO  64 -13.275   6.427  -2.806
  460    HD3  PRO  64           HD1      PRO  64 -13.135   5.878  -4.484
  461    H    GLU  65           HN       GLU  65 -11.229   7.187  -1.528
  462    HA   GLU  65           HA       GLU  65 -10.148   9.694  -0.467
  463    HB2  GLU  65           HB2      GLU  65 -12.604   9.037  -0.153
  464    HB3  GLU  65           HB1      GLU  65 -12.026   7.777   0.933
  465    HG2  GLU  65           HG2      GLU  65 -11.209   9.379   2.487
  466    HG3  GLU  65           HG1      GLU  65 -11.453  10.707   1.350
  467    H    PHE  66           HN       PHE  66  -9.164   6.642  -0.937
  468    HA   PHE  66           HA       PHE  66  -7.842   6.263   1.623
  469    HB2  PHE  66           HB2      PHE  66  -8.813   4.295   0.580
  470    HB3  PHE  66           HB1      PHE  66  -7.922   4.591  -0.901
  471    HD1  PHE  66           HD2      PHE  66  -7.500   3.726   2.672
  472    HD2  PHE  66           HD1      PHE  66  -5.784   3.663  -1.225
  473    HE1  PHE  66           HE2      PHE  66  -5.670   2.304   3.500
  474    HE2  PHE  66           HE1      PHE  66  -3.968   2.235  -0.405
  475    HZ   PHE  66           HZ       PHE  66  -3.909   1.508   1.888
  476    H    SER  67           HN       SER  67  -5.896   7.025   2.010
  477    HA   SER  67           HA       SER  67  -3.981   7.278  -0.201
  478    HB2  SER  67           HB2      SER  67  -4.422   9.436   1.890
  479    HB3  SER  67           HB1      SER  67  -3.295   9.487   0.534
  480    HG   SER  67           HG       SER  67  -5.501   9.027  -0.638
  481    H    LEU  68           HN       LEU  68  -2.052   6.415   0.312
  482    HA   LEU  68           HA       LEU  68  -1.607   5.027   2.686
  483    HB2  LEU  68           HB2      LEU  68   0.509   6.148   0.856
  484    HB3  LEU  68           HB1      LEU  68   0.732   4.860   2.015
  485    HG   LEU  68           HG       LEU  68  -0.812   4.782  -0.561
  486   HD11  LEU  68          HD11      LEU  68   1.513   4.429  -0.863
  487   HD12  LEU  68          HD12      LEU  68   0.740   2.840  -0.923
  488   HD13  LEU  68          HD13      LEU  68   1.597   3.355   0.534
  489   HD21  LEU  68          HD21      LEU  68  -2.131   3.642   1.144
  490   HD22  LEU  68          HD22      LEU  68  -0.720   2.690   1.603
  491   HD23  LEU  68          HD23      LEU  68  -1.432   2.492   0.003
  492    H    PHE  69           HN       PHE  69  -0.929   8.341   1.840
  493    HA   PHE  69           HA       PHE  69   1.054   8.943   3.701
  494    HB2  PHE  69           HB2      PHE  69   0.221  10.341   1.746
  495    HB3  PHE  69           HB1      PHE  69  -1.099  10.864   2.788
  496    HD1  PHE  69           HD1      PHE  69   2.627  10.574   2.906
  497    HD2  PHE  69           HD2      PHE  69  -0.838  12.863   3.845
  498    HE1  PHE  69           HE1      PHE  69   4.052  12.356   3.827
  499    HE2  PHE  69           HE2      PHE  69   0.579  14.645   4.770
  500    HZ   PHE  69           HZ       PHE  69   3.066  14.399   4.695
  501    H    ILE  70           HN       ILE  70  -2.280   8.304   4.218
  502    HA   ILE  70           HA       ILE  70  -1.964   9.165   7.020
  503    HB   ILE  70           HB       ILE  70  -4.541   9.264   5.408
  504   HG12  ILE  70          HG12      ILE  70  -2.866  11.456   6.656
  505   HG13  ILE  70          HG11      ILE  70  -3.033  11.139   4.934
  506   HG21  ILE  70          HG21      ILE  70  -5.600  10.115   7.415
  507   HG22  ILE  70          HG22      ILE  70  -4.090   9.975   8.309
  508   HG23  ILE  70          HG23      ILE  70  -4.910   8.522   7.734
  509   HD11  ILE  70          HD11      ILE  70  -5.235  12.013   6.788
  510   HD12  ILE  70          HD12      ILE  70  -5.413  11.680   5.065
  511   HD13  ILE  70          HD13      ILE  70  -4.403  13.022   5.603
  512    H    ASP  71           HN       ASP  71  -3.280   6.781   4.770
  513    HA   ASP  71           HA       ASP  71  -4.355   5.245   7.006
  514    HB2  ASP  71           HB2      ASP  71  -4.771   5.029   4.021
  515    HB3  ASP  71           HB1      ASP  71  -5.406   3.870   5.175
  516    H    CYS  72           HN       CYS  72  -1.420   5.378   5.673
  517    HA   CYS  72           HA       CYS  72  -0.807   2.659   6.374
  518    HB2  CYS  72           HB2      CYS  72  -0.455   3.597   3.521
  519    HB3  CYS  72           HB1      CYS  72   0.371   2.195   4.194
  520    HG   CYS  72           HG       CYS  72  -2.812   1.863   4.821
  521    H    THR  73           HN       THR  73   0.597   3.348   7.854
  522    HA   THR  73           HA       THR  73   2.262   5.673   7.356
  523    HB   THR  73           HB       THR  73   3.010   5.208   9.741
  524    HG1  THR  73           HG1      THR  73   1.174   3.640  10.632
  525   HG21  THR  73          HG21      THR  73   0.899   5.908  10.760
  526   HG22  THR  73          HG22      THR  73   0.012   5.416   9.318
  527   HG23  THR  73          HG23      THR  73   1.145   6.761   9.239
  528    H    THR  74           HN       THR  74   3.110   2.441   8.682
  529    HA   THR  74           HA       THR  74   5.688   2.590   7.349
  530    HB   THR  74           HB       THR  74   6.237   0.506   8.498
  531    HG1  THR  74           HG1      THR  74   4.466  -0.232  10.038
  532   HG21  THR  74          HG21      THR  74   4.800   2.417  10.358
  533   HG22  THR  74          HG22      THR  74   6.445   2.624   9.760
  534   HG23  THR  74          HG23      THR  74   6.055   1.271  10.822
  535    H    VAL  75           HN       VAL  75   6.153  -0.073   6.619
  536    HA   VAL  75           HA       VAL  75   4.697  -0.117   4.120
  537    HB   VAL  75           HB       VAL  75   6.529  -2.342   4.858
  538   HG11  VAL  75          HG11      VAL  75   5.519  -2.279   2.652
  539   HG12  VAL  75          HG12      VAL  75   7.269  -2.069   2.542
  540   HG13  VAL  75          HG13      VAL  75   6.205  -0.676   2.369
  541   HG21  VAL  75          HG21      VAL  75   8.518  -0.996   4.312
  542   HG22  VAL  75          HG22      VAL  75   7.722  -0.468   5.794
  543   HG23  VAL  75          HG23      VAL  75   7.509   0.452   4.303
  544    H    ARG  76           HN       ARG  76   5.062  -1.982   7.041
  545    HA   ARG  76           HA       ARG  76   3.545  -4.223   6.358
  546    HB2  ARG  76           HB2      ARG  76   5.091  -3.886   8.337
  547    HB3  ARG  76           HB1      ARG  76   3.748  -3.068   9.124
  548    HG2  ARG  76           HG2      ARG  76   3.643  -5.266   9.907
  549    HG3  ARG  76           HG1      ARG  76   2.417  -5.186   8.641
  550    HD2  ARG  76           HD2      ARG  76   3.976  -6.199   7.055
  551    HD3  ARG  76           HD1      ARG  76   5.208  -6.273   8.312
  552    HE   ARG  76           HE       ARG  76   2.650  -7.741   8.500
  553   HH11  ARG  76          HH11      ARG  76   6.156  -7.598   8.840
  554   HH12  ARG  76          HH12      ARG  76   6.289  -9.259   9.328
  555   HH21  ARG  76          HH21      ARG  76   2.847  -9.926   9.142
  556   HH22  ARG  76          HH22      ARG  76   4.418 -10.579   9.505
  557    H    ALA  77           HN       ALA  77   2.682  -1.027   7.484
  558    HA   ALA  77           HA       ALA  77   0.043  -1.514   8.285
  559    HB1  ALA  77           HB1      ALA  77   1.173   1.008   7.062
  560    HB2  ALA  77           HB2      ALA  77   1.254   0.567   8.766
  561    HB3  ALA  77           HB3      ALA  77  -0.308   0.876   8.010
  562    H    LEU  78           HN       LEU  78   1.446  -0.967   5.118
  563    HA   LEU  78           HA       LEU  78  -1.038  -0.772   3.708
  564    HB2  LEU  78           HB2      LEU  78   1.543  -0.197   3.124
  565    HB3  LEU  78           HB1      LEU  78   1.388  -1.741   2.321
  566    HG   LEU  78           HG       LEU  78  -0.463   0.571   1.814
  567   HD11  LEU  78          HD11      LEU  78   0.888   0.880  -0.258
  568   HD12  LEU  78          HD12      LEU  78   2.089  -0.217   0.426
  569   HD13  LEU  78          HD13      LEU  78   1.732   1.309   1.229
  570   HD21  LEU  78          HD21      LEU  78  -0.900  -0.624  -0.274
  571   HD22  LEU  78          HD22      LEU  78  -1.367  -1.553   1.154
  572   HD23  LEU  78          HD23      LEU  78   0.122  -1.948   0.285
  573    H    LYS  79           HN       LYS  79   1.402  -3.266   4.175
  574    HA   LYS  79           HA       LYS  79   0.273  -5.427   2.851
  575    HB2  LYS  79           HB2      LYS  79   1.780  -5.559   5.464
  576    HB3  LYS  79           HB1      LYS  79   1.720  -6.784   4.202
  577    HG2  LYS  79           HG2      LYS  79   2.860  -4.045   3.751
  578    HG3  LYS  79           HG1      LYS  79   3.842  -5.393   4.319
  579    HD2  LYS  79           HD2      LYS  79   3.061  -6.668   2.292
  580    HD3  LYS  79           HD1      LYS  79   2.298  -5.180   1.729
  581    HE2  LYS  79           HE2      LYS  79   4.405  -5.346   0.644
  582    HE3  LYS  79           HE1      LYS  79   4.542  -4.082   1.868
  583    HZ1  LYS  79           HZ1      LYS  79   5.810  -5.451   3.240
  584    HZ2  LYS  79           HZ2      LYS  79   6.423  -5.777   1.695
  585    HZ3  LYS  79           HZ3      LYS  79   5.360  -6.868   2.436
  586    H    ASP  80           HN       ASP  80  -0.148  -4.426   6.218
  587    HA   ASP  80           HA       ASP  80  -1.954  -6.402   7.026
  588    HB2  ASP  80           HB2      ASP  80  -0.733  -4.892   8.567
  589    HB3  ASP  80           HB1      ASP  80  -1.743  -3.555   8.028
  590    H    PHE  81           HN       PHE  81  -2.549  -3.171   5.749
  591    HA   PHE  81           HA       PHE  81  -5.302  -3.053   6.112
  592    HB2  PHE  81           HB2      PHE  81  -3.928  -1.107   5.471
  593    HB3  PHE  81           HB1      PHE  81  -3.703  -1.794   3.864
  594    HD1  PHE  81           HD1      PHE  81  -6.191  -0.398   6.199
  595    HD2  PHE  81           HD2      PHE  81  -5.356  -1.560   2.189
  596    HE1  PHE  81           HE1      PHE  81  -8.271   0.683   5.455
  597    HE2  PHE  81           HE2      PHE  81  -7.438  -0.480   1.439
  598    HZ   PHE  81           HZ       PHE  81  -8.899   0.643   3.073
  599    H    MET  82           HN       MET  82  -3.453  -4.469   3.479
  600    HA   MET  82           HA       MET  82  -5.446  -4.844   1.587
  601    HB2  MET  82           HB2      MET  82  -3.098  -6.591   2.260
  602    HB3  MET  82           HB1      MET  82  -4.087  -6.790   0.821
  603    HG2  MET  82           HG2      MET  82  -3.493  -4.412   0.208
  604    HG3  MET  82           HG1      MET  82  -2.331  -4.460   1.537
  605    HE1  MET  82           HE1      MET  82  -2.567  -4.702  -2.111
  606    HE2  MET  82           HE2      MET  82  -0.839  -5.009  -2.315
  607    HE3  MET  82           HE3      MET  82  -1.385  -3.720  -1.241
  608    H    LEU  83           HN       LEU  83  -4.436  -7.148   4.100
  609    HA   LEU  83           HA       LEU  83  -6.638  -8.900   3.503
  610    HB2  LEU  83           HB2      LEU  83  -4.629  -8.918   5.768
  611    HB3  LEU  83           HB1      LEU  83  -5.834 -10.160   5.519
  612    HG   LEU  83           HG       LEU  83  -4.725 -10.616   3.273
  613   HD11  LEU  83          HD11      LEU  83  -2.542  -8.914   4.468
  614   HD12  LEU  83          HD12      LEU  83  -3.512  -8.511   3.051
  615   HD13  LEU  83          HD13      LEU  83  -2.414  -9.889   3.004
  616   HD21  LEU  83          HD21      LEU  83  -2.883 -11.913   4.277
  617   HD22  LEU  83          HD22      LEU  83  -4.384 -12.091   5.188
  618   HD23  LEU  83          HD23      LEU  83  -3.107 -11.034   5.789
  619    H    GLY  84           HN       GLY  84  -5.808  -6.502   5.917
  620    HA2  GLY  84           HA2      GLY  84  -7.567  -5.217   6.985
  621    HA3  GLY  84           HA1      GLY  84  -8.573  -6.661   6.943
  622    H    SER  85           HN       SER  85  -7.700  -4.922   9.202
  623    HA   SER  85           HA       SER  85  -5.858  -6.484  10.756
  624    HB2  SER  85           HB2      SER  85  -7.695  -4.247  11.645
  625    HB3  SER  85           HB1      SER  85  -6.278  -4.850  12.504
  626    HG   SER  85           HG       SER  85  -5.285  -4.243  10.227
  627    H    GLY  86           HN       GLY  86  -8.141  -7.980   9.869
  628    HA2  GLY  86           HA2      GLY  86  -9.820  -8.295  12.252
  629    HA3  GLY  86           HA1      GLY  86 -10.096  -9.040  10.681
  630    H    ASP  87           HN       ASP  87  -7.308  -8.992  12.864
  631    HA   ASP  87           HA       ASP  87  -6.742 -11.745  12.348
  632    HB2  ASP  87           HB2      ASP  87  -4.941 -10.141  12.763
  633    HB3  ASP  87           HB1      ASP  87  -5.563  -9.842  14.382
  634    H    ALA  88           HN       ALA  88  -8.055 -13.231  13.110
  635    HA   ALA  88           HA       ALA  88  -8.365 -13.572  15.945
  636    HB1  ALA  88           HB1      ALA  88 -10.216 -12.033  15.460
  637    HB2  ALA  88           HB2      ALA  88 -10.797 -13.621  15.956
  638    HB3  ALA  88           HB3      ALA  88 -10.831 -13.161  14.254
  639    H    GLY  89           HN       GLY  89  -9.725 -14.571  12.812
  640    HA2  GLY  89           HA2      GLY  89  -9.375 -16.642  11.769
  641    HA3  GLY  89           HA1      GLY  89  -8.742 -17.275  13.282
  642   H282  PNS  90          H28A      PNS  44  -0.461  15.434  -4.002
  643   H281  PNS  90          H28B      PNS  44  -0.759  14.033  -2.976
  644   H303  PNS  90          H30A      PNS  44  -2.166  16.405  -5.334
  645   H302  PNS  90          H30B      PNS  44  -3.168  16.689  -3.913
  646   H301  PNS  90          H30C      PNS  44  -3.831  15.820  -5.300
  647   H313  PNS  90          H31A      PNS  44  -1.774  12.762  -4.789
  648   H312  PNS  90          H31B      PNS  44  -1.418  14.093  -5.890
  649   H311  PNS  90          H31C      PNS  44  -3.060  13.461  -5.776
  650    H32  PNS  90          H32A      PNS  44  -3.227  13.103  -2.831
  651    H33  PNS  90          H33A      PNS  44  -2.922  15.421  -1.863
  652    H36  PNS  90          H36A      PNS  44  -5.826  14.683  -2.281
  653   H372  PNS  90          H37A      PNS  44  -7.423  14.966  -4.514
  654   H371  PNS  90          H37B      PNS  44  -7.535  13.269  -4.046
  655   H382  PNS  90          H38A      PNS  44  -8.417  13.845  -1.898
  656   H381  PNS  90          H38B      PNS  44  -8.045  15.549  -2.143
  657    H41  PNS  90          H41A      PNS  44  -8.948  14.915  -5.034
  658   H422  PNS  90          H42A      PNS  44 -11.762  14.492  -4.997
  659   H421  PNS  90          H42B      PNS  44 -11.364  16.204  -5.120
  660   H431  PNS  90          H43A      PNS  44 -10.593  14.000  -7.014
  661   H432  PNS  90          H43B      PNS  44  -9.897  15.615  -7.072
  662    H44  PNS  90           H1       PNS  44 -12.276  16.915  -7.656