*HEADER    BIOSYNTHETIC PROTEIN                    15-OCT-14   2MVU              
*TITLE     SOLUTION STRUCTURE OF THE 3,7-DIOXO-OCTYL ACTINORHODIN ACYL CARRIER   
*TITLE    2 PROTEIN FROM STREPTOMYCES COELICOLOR                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN;     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ACP, ACTI ORF3;                                             
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 100226;                                              
*SOURCE   4 STRAIN: ATCC BAA-471 / A3(2) / M145;                                 
*SOURCE   5 GENE: ACTINORHODIN ACYL CARRIER PROTEIN, SCBAC28G1.15, SCO5089;      
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET 11C                                   
*KEYWDS    ACTINORHODIN, ACP, BIOSYNTHETIC INTERMEDIATES, LIGAND RECOGNITION,    
*KEYWDS   2 BIOSYNTHETIC PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.DONG, C.BAILEY, C.WILLIAMS, J.CROSBY, T.J.SIMPSON, C.L.WILLIS,      
*AUTHOR   2 M.P.CRUMP                                                            
*REVDAT   1   21-OCT-15 2MVU    0                                                


! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chxxd/2_6_oct_ACP/calc_data/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -77  28 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -90  28 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -64  20 2

! 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 -64  20 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 -66  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 -60  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 -59  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 -62  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 -63  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 -65  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 -78  38 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 -62  20 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 -94  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 -85  44 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 -58  20 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 -62  20 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 -68  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 -91  40 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 -100  52 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -117  56 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 -64  20 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -67  20 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 -67  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 -66  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 -68  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 -62  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 -63  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 -67  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 -63  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 -62  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 -67  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 -67  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 -88  28 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -132  30 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -118  36 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -111  25 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -56  20 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -73  24 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -100  20 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -132  46 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -58  20 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -63  20 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 -60  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 -63  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 -66  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 -63  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 -62  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 -69  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 -61  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 -63  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 -64  20 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 141  24 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 167  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -40  20 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 -43  20 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 -43  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 -47  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 -41  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 -40  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  22 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 -29  34 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 -22  52 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 -30  26 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  -3  38 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)
       1.0 157  26 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 -47  20 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 -42  20 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 -39  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  -6  28 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)
       1.0 140  26 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 154  28 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 -42  22 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -42  20 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 -44  20 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 -39  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 -45  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 -41  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 -42  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 -39  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 -41  20 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 -41  20 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 -39  20 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  -7  28 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 149  38 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 125  24 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 135  42 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 143  20 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -36  24 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -31  24 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -29  42 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 152  64 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -48  20 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -42  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 -41  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 -38  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 -42  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 -44  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 -36  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 -42  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 -42  22 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 -40  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 -31  32 2

 ASSI {   16}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.50647E-03 ppm1      7.736 ppm2      3.006 CV     1
 OR {   16}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {   19}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.13940E-02 ppm1      7.736 ppm2      4.358 CV     1
 OR {   19}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {   25}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HG  ))
      3.000     1.100     1.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.18798E-02 ppm1      7.675 ppm2      1.692 CV     1
 OR {   25}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {   26}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak    26 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      7.676 ppm2      1.588 CV     1
 OR {   26}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HG  ))
 OR {   26}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {   38}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.700     2.700     1.300 peak    38 spectrum    1 weight  0.10000E+01 volume  0.44915E-03 ppm1      7.475 ppm2      4.237 CV     1
 OR {   38}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {   48}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HG  ))
      3.400     1.400     1.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.17354E-02 ppm1      7.333 ppm2      1.689 CV     1
 OR {   48}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {   49}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB1 ))
      3.600     1.700     1.700 peak    49 spectrum    1 weight  0.10000E+01 volume  0.16433E-02 ppm1      7.333 ppm2      1.588 CV     1
 OR {   49}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HG  ))
 OR {   49}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {   54}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HA  ))
      4.800     2.800     1.200 peak    54 spectrum    1 weight  0.10000E+01 volume  0.40400E-03 ppm1      7.334 ppm2      4.501 CV     1
 OR {   54}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {   64}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.500     1.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.87061E-03 ppm1      7.981 ppm2      4.682 CV     1
 ASSI {   70}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.100     2.100     1.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.40766E-03 ppm1      7.978 ppm2      1.609 CV     1
 OR {   70}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 OR {   70}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {   71}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.500     1.600     1.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.11914E-02 ppm1      7.980 ppm2      0.951 CV     1
 OR {   71}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {   71}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {   73}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.000     2.000     2.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.11692E-02 ppm1      8.435 ppm2      1.618 CV     1
 OR {   73}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {   74}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      4.100     2.200     1.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.63393E-03 ppm1      8.436 ppm2      0.960 CV     1
 OR {   74}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {   75}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.200     2.200     1.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.51933E-03 ppm1      8.435 ppm2      0.882 CV     1
 OR {   75}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {   78}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.800     1.800     1.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.87328E-03 ppm1      8.435 ppm2      4.476 CV     1
 OR {   78}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {   85}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.64515E-02 ppm1      8.590 ppm2      4.271 CV     1
 OR {   85}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
 ASSI {   94}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.500     1.500     1.500 peak    94 spectrum    1 weight  0.10000E+01 volume  0.91006E-03 ppm1      8.086 ppm2      3.296 CV     1
 OR {   94}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  108}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.800     1.000     1.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.22848E-02 ppm1      7.723 ppm2      1.063 CV     1
 OR {  108}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  110}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.400     1.400 peak   110 spectrum    1 weight  0.10000E+01 volume  0.11889E-02 ppm1      7.723 ppm2      3.088 CV     1
 OR {  110}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  111}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.500     1.500     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.92554E-03 ppm1      7.722 ppm2      2.995 CV     1
 OR {  111}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  119}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.700     0.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.68582E-02 ppm1      8.036 ppm2      4.109 CV     1
 OR {  119}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  119}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  133}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      4.500     2.600     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.48902E-03 ppm1      8.942 ppm2      1.526 CV     1
 OR {  133}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  144}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.300     1.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.45093E-03 ppm1      9.560 ppm2      7.731 CV     1
 OR {  144}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  148}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.32757E-02 ppm1      9.560 ppm2      4.359 CV     1
 OR {  148}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  150}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.19929E-02 ppm1      9.560 ppm2      3.096 CV     1
 OR {  150}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  151}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.200     2.200     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.81718E-03 ppm1      9.560 ppm2      3.008 CV     1
 OR {  151}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  154}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.900     0.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.36159E-02 ppm1      9.560 ppm2      2.135 CV     1
 OR {  154}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  155}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.75581E-03 ppm1      9.561 ppm2      1.861 CV     1
 OR {  155}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  162} 
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      2.000     0.500     0.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.25060E-02 ppm1      9.170 ppm2      2.427 CV     1
 OR {  162} 
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 74   and name HB1  ))
 ASSI {  166}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.500     1.600     1.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.37253E-02 ppm1      8.862 ppm2      1.403 CV     1
 OR {  166}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  168}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.900     1.900     1.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.79484E-03 ppm1      8.862 ppm2      0.858 CV     1
 OR {  168}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  169}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.800     1.800     1.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.77509E-03 ppm1      8.862 ppm2      0.801 CV     1
 OR {  169}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  170}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.800     2.800     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.53898E-03 ppm1      8.862 ppm2      2.714 CV     1
 OR {  170}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  170}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  177}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.33075E-02 ppm1      8.617 ppm2      4.523 CV     1
 OR {  177}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  179}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.000     1.100     1.100 peak   179 spectrum    1 weight  0.10000E+01 volume  0.41621E-02 ppm1      8.617 ppm2      2.809 CV     1
 OR {  179}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  180}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.500     0.800     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.46979E-02 ppm1      8.616 ppm2      2.750 CV     1
 OR {  180}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  187}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.900     1.900     1.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.15640E-02 ppm1      8.487 ppm2      1.070 CV     1
 OR {  187}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 OR {  187}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  192}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.800     1.800     1.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.88412E-03 ppm1      8.488 ppm2      3.090 CV     1
 OR {  192}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  193}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.700     1.700     1.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.61334E-03 ppm1      8.488 ppm2      2.995 CV     1
 OR {  193}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  210}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.900     1.900     1.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.40602E-03 ppm1      7.997 ppm2      2.710 CV     1
 OR {  210}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  212}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.100     0.600     0.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.11430E-01 ppm1      7.996 ppm2      2.036 CV     1
 OR {  212}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  212}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  212}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  213}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.800     1.800     1.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.15476E-02 ppm1      7.996 ppm2      1.683 CV     1
 OR {  213}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  214}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.100     2.100     1.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.71795E-03 ppm1      7.996 ppm2      1.393 CV     1
 OR {  214}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  215}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.300     1.400     1.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.83796E-03 ppm1      7.997 ppm2      1.125 CV     1
 OR {  215}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  220}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   220 spectrum    1 weight  0.10000E+01 volume  0.11760E-02 ppm1      7.795 ppm2      4.392 CV     1
 OR {  220}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  229}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.300     2.300     1.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.51346E-03 ppm1      7.795 ppm2      1.104 CV     1
 OR {  229}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  256}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.42784E-02 ppm1      8.215 ppm2      4.339 CV     1
 OR {  256}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  261}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.100     3.100     2.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.93906E-03 ppm1      7.837 ppm2      1.104 CV     1
 OR {  261}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  262}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      4.600     2.600     1.400 peak   262 spectrum    1 weight  0.10000E+01 volume  0.35458E-03 ppm1      7.841 ppm2      2.779 CV     1
 OR {  262}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  279}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.15902E-02 ppm1      7.542 ppm2      1.851 CV     1
 OR {  279}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  282}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10924E-02 ppm1      7.544 ppm2      4.362 CV     1
 OR {  282}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  287}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.200     1.300     1.300 peak   287 spectrum    1 weight  0.10000E+01 volume  0.15649E-02 ppm1      7.546 ppm2      2.152 CV     1
 OR {  287}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  293}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.300     2.300     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.35864E-03 ppm1      7.535 ppm2      1.385 CV     1
 OR {  293}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  293}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  296}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.21495E-02 ppm1      7.534 ppm2      3.296 CV     1
 OR {  296}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  306}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.100     3.300     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.37496E-03 ppm1      7.408 ppm2      3.987 CV     1
 OR {  306}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  307}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.500     1.500 peak   307 spectrum    1 weight  0.10000E+01 volume  0.13930E-02 ppm1      7.408 ppm2      4.525 CV     1
 OR {  307}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  315}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.600     2.600     1.400 peak   315 spectrum    1 weight  0.10000E+01 volume  0.26691E-03 ppm1      7.222 ppm2      4.624 CV     1
 OR {  315}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  318}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.68394E-03 ppm1      7.221 ppm2      3.296 CV     1
 OR {  318}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  319}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.67048E-03 ppm1      7.221 ppm2      3.022 CV     1
 OR {  319}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  322}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      4.600     2.600     1.400 peak   322 spectrum    1 weight  0.10000E+01 volume  0.45178E-03 ppm1      7.222 ppm2      2.206 CV     1
 OR {  322}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 OR {  322}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  326}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.800     1.800     1.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.23644E-02 ppm1      7.222 ppm2      1.069 CV     1
 OR {  326}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  329}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.400     1.400     1.400 peak   329 spectrum    1 weight  0.10000E+01 volume  0.25884E-02 ppm1      7.703 ppm2      1.094 CV     1
 OR {  329}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 OR {  329}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 OR {  329}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  330}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      5.100     3.300     0.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.33711E-03 ppm1      7.703 ppm2      0.799 CV     1
 OR {  330}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 OR {  330}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  330}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  331}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.15911E-02 ppm1      7.703 ppm2      0.988 CV     1
 OR {  331}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  331}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  332}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.100     0.600     0.600 peak   332 spectrum    1 weight  0.10000E+01 volume  0.10158E-01 ppm1      7.702 ppm2      1.680 CV     1
 OR {  332}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  333}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      5.300     3.500     0.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.20530E-03 ppm1      7.703 ppm2      1.534 CV     1
 OR {  333}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
 OR {  333}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  334}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.600     1.700     1.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.92831E-03 ppm1      7.702 ppm2      1.898 CV     1
 OR {  334}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  334}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI {  337}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.100     1.100 peak   337 spectrum    1 weight  0.10000E+01 volume  0.13343E-02 ppm1      7.703 ppm2      2.270 CV     1
 OR {  337}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  338}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.27862E-02 ppm1      7.703 ppm2      4.238 CV     1
 OR {  338}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  338}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  339}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.29722E-02 ppm1      7.702 ppm2      8.735 CV     1
 OR {  339}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  341}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.600     3.600     2.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.33128E-03 ppm1      7.703 ppm2      4.550 CV     1
 OR {  341}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  342}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     1.000     1.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.27903E-02 ppm1      7.702 ppm2      4.396 CV     1
 OR {  342}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  344}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      4.500     2.500     1.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.60227E-03 ppm1      7.702 ppm2      2.647 CV     1
 OR {  344}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  345}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.37975E-02 ppm1      7.702 ppm2      2.027 CV     1
 OR {  345}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  345}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  345}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  346}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.500     2.600     1.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.83618E-03 ppm1      7.701 ppm2      2.191 CV     1
 OR {  346}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 OR {  346}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  348}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.800     0.900     0.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.37161E-02 ppm1      8.128 ppm2      2.027 CV     1
 OR {  348}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
 OR {  348}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI {  352}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.36528E-02 ppm1      8.128 ppm2      4.248 CV     1
 OR {  352}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  353}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.400     1.400 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      8.129 ppm2      3.954 CV     1
 OR {  353}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  357}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.000     2.000     2.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.10925E-02 ppm1      8.326 ppm2      1.531 CV     1
 OR {  357}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  358}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.000     1.100     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.17498E-02 ppm1      8.325 ppm2      2.345 CV     1
 OR {  358}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  363}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   363 spectrum    1 weight  0.10000E+01 volume  0.12454E-02 ppm1      8.326 ppm2      4.242 CV     1
 OR {  363}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  364}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.22607E-02 ppm1      8.325 ppm2      3.943 CV     1
 OR {  364}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  367}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.500     1.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.19671E-02 ppm1      8.421 ppm2      1.111 CV     1
 OR {  367}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 OR {  367}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  368}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.200     2.200     1.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.14660E-02 ppm1      8.421 ppm2      0.903 CV     1
 OR {  368}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  369}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.100     2.100     1.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.13738E-02 ppm1      8.421 ppm2      0.767 CV     1
 OR {  369}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  370}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.500     1.600     1.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      8.421 ppm2      1.052 CV     1
 OR {  370}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  370}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  373}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      2.700     0.900     0.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.37930E-02 ppm1      8.421 ppm2      1.879 CV     1
 OR {  373}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI {  376}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.27126E-02 ppm1      8.420 ppm2      4.399 CV     1
 OR {  376}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  377}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.000     2.000     2.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.48494E-03 ppm1      8.421 ppm2      4.197 CV     1
 OR {  377}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  378}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.300     2.300     1.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.38304E-03 ppm1      8.421 ppm2      4.030 CV     1
 OR {  378}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  382}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.63844E-03 ppm1      8.852 ppm2      7.214 CV     1
 OR {  382}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  389}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.300     2.300     1.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.44328E-03 ppm1      8.853 ppm2      2.716 CV     1
 OR {  389}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  394}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.900     1.900     1.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.96622E-03 ppm1      8.851 ppm2      1.396 CV     1
 OR {  394}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  395}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.800     1.800     1.800 peak   395 spectrum    1 weight  0.10000E+01 volume  0.13717E-02 ppm1      8.852 ppm2      1.133 CV     1
 OR {  395}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  396}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      5.400     3.700     0.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.23838E-03 ppm1      8.852 ppm2      0.900 CV     1
 OR {  396}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
 OR {  396}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  397}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      5.100     3.200     0.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.26920E-03 ppm1      8.851 ppm2      0.797 CV     1
 OR {  397}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  397}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  398}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.300     2.300     1.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.94009E-03 ppm1      8.853 ppm2      1.054 CV     1
 OR {  398}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  399}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      3.900     1.900     1.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.34495E-03 ppm1      8.969 ppm2      1.653 CV     1
 OR {  399}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 OR {  399}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  401}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      5.000     3.100     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.39397E-03 ppm1      8.968 ppm2      1.035 CV     1
 OR {  401}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  401}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  402}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.300     2.400     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.88046E-03 ppm1      8.969 ppm2      0.850 CV     1
 OR {  402}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  402}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  408}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   408 spectrum    1 weight  0.10000E+01 volume  0.13668E-02 ppm1      8.970 ppm2      4.279 CV     1
 OR {  408}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  409}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.21537E-02 ppm1      8.970 ppm2      4.105 CV     1
 OR {  409}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  409}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  417}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.600     1.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.63947E-03 ppm1      9.016 ppm2      4.234 CV     1
 OR {  417}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  424}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      4.900     3.000     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.42647E-03 ppm1      9.019 ppm2      2.460 CV     1
 OR {  424}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 OR {  424}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  430}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      9.017 ppm2      1.035 CV     1
 OR {  430}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  437}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      4.000     2.000     2.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.97827E-03 ppm1      8.742 ppm2      1.001 CV     1
 OR {  437}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  437}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  438}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak   438 spectrum    1 weight  0.10000E+01 volume  0.32809E-02 ppm1      8.742 ppm2      1.694 CV     1
 OR {  438}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  441}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.900     3.000     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.36146E-03 ppm1      8.743 ppm2      1.924 CV     1
 OR {  441}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  441}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  451}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.100     2.100     1.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.63257E-03 ppm1      8.510 ppm2      0.788 CV     1
 OR {  451}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  453}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.400     1.400     1.400 peak   453 spectrum    1 weight  0.10000E+01 volume  0.17596E-02 ppm1      8.511 ppm2      1.532 CV     1
 OR {  453}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
 OR {  453}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  453}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  454}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.600     1.600     1.600 peak   454 spectrum    1 weight  0.10000E+01 volume  0.15628E-02 ppm1      8.510 ppm2      1.419 CV     1
 OR {  454}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 OR {  454}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  455}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.100     2.200     1.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.71533E-03 ppm1      8.512 ppm2      1.656 CV     1
 OR {  455}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  456}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.800     2.800     3.200 peak   456 spectrum    1 weight  0.10000E+01 volume  0.43121E-02 ppm1      8.508 ppm2      2.054 CV     1
 OR {  456}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  456}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  456}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  456}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  457}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      3.900     1.900     1.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.54813E-03 ppm1      8.512 ppm2      1.880 CV     1
 OR {  457}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 OR {  457}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  458}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.10572E-01 ppm1      8.511 ppm2      2.268 CV     1
 OR {  458}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  459}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.700     1.800     1.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.20036E-02 ppm1      8.513 ppm2      2.603 CV     1
 OR {  459}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  462}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.500     0.800     0.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.65256E-02 ppm1      8.508 ppm2      4.055 CV     1
 OR {  462}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 OR {  462}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  463}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.28374E-02 ppm1      8.511 ppm2      3.912 CV     1
 OR {  463}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  465}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      8.507 ppm2      4.460 CV     1
 OR {  465}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  466}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.39457E-02 ppm1      8.512 ppm2      4.238 CV     1
 OR {  466}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  466}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  467}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.600     0.800     0.800 peak   467 spectrum    1 weight  0.10000E+01 volume  0.80554E-02 ppm1      8.510 ppm2      2.369 CV     1
 OR {  467}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 OR {  467}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  468}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.600     1.600     1.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.17650E-02 ppm1      8.422 ppm2      1.040 CV     1
 OR {  468}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  469}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.900     0.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.49127E-02 ppm1      8.423 ppm2      2.212 CV     1
 OR {  469}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  470}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.28620E-02 ppm1      8.423 ppm2      4.307 CV     1
 OR {  470}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  471}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.400     2.400     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.53640E-03 ppm1      8.427 ppm2      4.098 CV     1
 OR {  471}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  471}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  471}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  476}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.100     0.500     0.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.85072E-02 ppm1      8.436 ppm2      1.531 CV     1
 OR {  476}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  480}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      4.200     2.200     1.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.61160E-03 ppm1      8.436 ppm2      2.801 CV     1
 OR {  480}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  483}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   483 spectrum    1 weight  0.10000E+01 volume  0.27587E-02 ppm1      8.435 ppm2      4.273 CV     1
 OR {  483}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  483}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  489}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.900     0.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.47739E-02 ppm1      8.101 ppm2      4.104 CV     1
 OR {  489}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  489}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  490}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   490 spectrum    1 weight  0.10000E+01 volume  0.16443E-02 ppm1      8.099 ppm2      4.346 CV     1
 OR {  490}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  491}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.800     1.800     1.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.18655E-02 ppm1      8.082 ppm2      1.055 CV     1
 OR {  491}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  492}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.80244E-03 ppm1      8.084 ppm2      0.802 CV     1
 OR {  492}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  494}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.600     0.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.60776E-02 ppm1      8.085 ppm2      1.571 CV     1
 OR {  494}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
 ASSI {  495}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.100     2.100     1.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.94605E-03 ppm1      8.084 ppm2      2.042 CV     1
 OR {  495}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  495}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  498}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.100     2.100     1.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.16221E-02 ppm1      8.082 ppm2      1.116 CV     1
 OR {  498}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  499}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.59087E-02 ppm1      8.068 ppm2      3.015 CV     1
 OR {  499}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  501}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.700     0.900     0.900 peak   501 spectrum    1 weight  0.10000E+01 volume  0.19986E-02 ppm1      8.067 ppm2      3.882 CV     1
 OR {  501}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  502}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.15123E-02 ppm1      8.062 ppm2      4.363 CV     1
 OR {  502}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  503}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   503 spectrum    1 weight  0.10000E+01 volume  0.20260E-02 ppm1      8.061 ppm2      4.575 CV     1
 OR {  503}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  511}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.500     1.600     1.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.73681E-03 ppm1      7.972 ppm2      0.887 CV     1
 OR {  511}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  513}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.400     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.46879E-02 ppm1      7.915 ppm2      2.711 CV     1
 OR {  513}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  513}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  514}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.100     2.100     1.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.10758E-02 ppm1      7.918 ppm2      1.584 CV     1
 OR {  514}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  514}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  515}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.700     1.700     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.68174E-03 ppm1      7.915 ppm2      1.408 CV     1
 OR {  515}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  515}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  518}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.300     2.300     1.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.41608E-03 ppm1      7.912 ppm2      2.038 CV     1
 OR {  518}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  527}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak   527 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      7.812 ppm2      4.069 CV     1
 OR {  527}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 OR {  527}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  533}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.800     1.800     1.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.78152E-03 ppm1      8.009 ppm2      1.071 CV     1
 OR {  533}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
 ASSI {  535}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.900     2.900     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.51318E-03 ppm1      8.010 ppm2      0.835 CV     1
 OR {  535}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 OR {  535}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  535}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  536}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      5.000     3.100     1.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.52894E-03 ppm1      8.011 ppm2      1.696 CV     1
 OR {  536}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  538}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.300     0.700     0.700 peak   538 spectrum    1 weight  0.10000E+01 volume  0.47612E-02 ppm1      8.010 ppm2      1.918 CV     1
 OR {  538}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  542}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.45902E-02 ppm1      8.009 ppm2      4.279 CV     1
 OR {  542}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR {  542}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  544}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak   544 spectrum    1 weight  0.10000E+01 volume  0.34417E-02 ppm1      8.009 ppm2      8.716 CV     1
 OR {  544}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  549}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak   549 spectrum    1 weight  0.10000E+01 volume  0.18073E-02 ppm1      8.073 ppm2      3.292 CV     1
 OR {  549}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  563}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      5.300     3.500     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.39609E-03 ppm1      8.825 ppm2      1.018 CV     1
 OR {  563}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  563}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  567}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     1.100     1.100 peak   567 spectrum    1 weight  0.10000E+01 volume  0.38258E-02 ppm1      8.824 ppm2      2.753 CV     1
 OR {  567}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  577}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      4.400     2.400     1.600 peak   577 spectrum    1 weight  0.10000E+01 volume  0.38197E-03 ppm1      8.744 ppm2      0.996 CV     1
 OR {  577}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  577}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  579}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.600     2.600     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.33384E-03 ppm1      8.746 ppm2      2.337 CV     1
 OR {  579}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {  579}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  580}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.900     4.300     0.100 peak   580 spectrum    1 weight  0.10000E+01 volume  0.70111E-04 ppm1      8.746 ppm2      2.207 CV     1
 OR {  580}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  580}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  582}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      8.745 ppm2      4.266 CV     1
 OR {  582}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  582}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  583}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   583 spectrum    1 weight  0.10000E+01 volume  0.31376E-02 ppm1      8.744 ppm2      3.952 CV     1
 OR {  583}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  603}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     1.300     1.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.28933E-02 ppm1      8.480 ppm2      1.579 CV     1
 OR {  603}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
 ASSI {  606}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.500     1.500     1.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.13407E-02 ppm1      8.454 ppm2      1.076 CV     1
 OR {  606}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 OR {  606}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  606}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  620}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.27439E-02 ppm1      8.454 ppm2      4.384 CV     1
 OR {  620}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  624}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.200     2.200     1.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.78002E-03 ppm1      8.452 ppm2      1.858 CV     1
 OR {  624}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  627}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.100     3.200     0.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.39155E-03 ppm1      8.454 ppm2      0.869 CV     1
 OR {  627}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
 OR {  627}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  632}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.900     3.000     1.100 peak   632 spectrum    1 weight  0.10000E+01 volume  0.34346E-03 ppm1      8.139 ppm2      2.338 CV     1
 OR {  632}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {  632}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  635}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.600     0.900     0.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.39358E-02 ppm1      8.139 ppm2      4.304 CV     1
 OR {  635}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  636}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      5.000     3.100     1.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.23165E-03 ppm1      8.140 ppm2      3.906 CV     1
 ASSI {  650}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      3.300     1.400     1.400 peak   650 spectrum    1 weight  0.10000E+01 volume  0.39978E-02 ppm1      7.791 ppm2      1.532 CV     1
 OR {  650}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  656}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   656 spectrum    1 weight  0.10000E+01 volume  0.40182E-02 ppm1      7.792 ppm2      4.268 CV     1
 OR {  656}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  657}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.500     1.500 peak   657 spectrum    1 weight  0.10000E+01 volume  0.29323E-02 ppm1      7.792 ppm2      4.318 CV     1
 OR {  657}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  667}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      4.100     2.100     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.98531E-03 ppm1      7.608 ppm2      0.975 CV     1
 OR {  667}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  668}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.74746E-03 ppm1      7.608 ppm2      0.880 CV     1
 OR {  668}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  671}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.200     1.300     1.300 peak   671 spectrum    1 weight  0.10000E+01 volume  0.17816E-02 ppm1      8.235 ppm2      4.398 CV     1
 OR {  671}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  671}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  672}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.300     0.700     0.700 peak   672 spectrum    1 weight  0.10000E+01 volume  0.88492E-02 ppm1      8.242 ppm2      4.251 CV     1
 OR {  672}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  672}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  672}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  672}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  672}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  673}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.000     1.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.27185E-02 ppm1      8.237 ppm2      3.920 CV     1
 OR {  673}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name H28% ))
 ASSI {  674}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.300     0.700     0.700 peak   674 spectrum    1 weight  0.10000E+01 volume  0.10227E-01 ppm1      8.235 ppm2      2.276 CV     1
 OR {  674}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  676}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.500     0.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.79705E-02 ppm1      8.282 ppm2      1.942 CV     1
 OR {  676}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  678}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.600     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.54705E-02 ppm1      8.242 ppm2      1.533 CV     1
 OR {  678}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  681}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.600     1.600     1.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.25006E-02 ppm1      8.234 ppm2      1.088 CV     1
 OR {  681}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 OR {  681}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
 OR {  681}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  683}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.33528E-02 ppm1      8.285 ppm2      0.868 CV     1
 OR {  683}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  683}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  683}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  686}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14064E-02 ppm1      8.238 ppm2      4.014 CV     1
 ASSI {  688}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.400     1.500     1.500 peak   688 spectrum    1 weight  0.10000E+01 volume  0.13722E-02 ppm1      8.288 ppm2      1.401 CV     1
 OR {  688}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 OR {  688}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
 ASSI {  689}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.400     0.700     0.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.54377E-02 ppm1      8.295 ppm2      1.610 CV     1
 OR {  689}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  690}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      3.100     1.200     1.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.48583E-02 ppm1      8.295 ppm2      1.858 CV     1
 OR {  690}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  692}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.800     2.800     1.200 peak   692 spectrum    1 weight  0.10000E+01 volume  0.66809E-03 ppm1      8.286 ppm2      3.070 CV     1
 OR {  692}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 OR {  692}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  694}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak   694 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      8.283 ppm2      3.879 CV     1
 OR {  694}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  695}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      4.400     2.400     1.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.56037E-03 ppm1      8.292 ppm2      4.031 CV     1
 OR {  695}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 OR {  695}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
 OR {  695}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  697}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.700     0.900     0.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.38620E-02 ppm1      8.285 ppm2      4.308 CV     1
 OR {  697}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  697}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  698}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.400     1.500     1.500 peak   698 spectrum    1 weight  0.10000E+01 volume  0.11648E-02 ppm1      8.294 ppm2      4.462 CV     1
 OR {  698}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  711}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.33493E-03 ppm1      8.504 ppm2      4.510 CV     1
 OR {  711}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  713}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.700     0.900     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.55554E-02 ppm1      9.420 ppm2      1.584 CV     1
 OR {  713}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 OR {  713}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  715}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.200     1.300     1.300 peak   715 spectrum    1 weight  0.10000E+01 volume  0.20149E-02 ppm1      9.420 ppm2      0.981 CV     1
 OR {  715}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  736}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.700     1.700     1.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12136E-02 ppm1      8.156 ppm2      0.966 CV     1
 OR {  736}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 OR {  736}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  736}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  738}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak   738 spectrum    1 weight  0.10000E+01 volume  0.22812E-02 ppm1      8.156 ppm2      4.101 CV     1
 OR {  738}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  738}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  745}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.000     2.000     2.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.39705E-03 ppm1      8.014 ppm2      2.828 CV     1
 OR {  745}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  748}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.200     2.300     1.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.40588E-03 ppm1      8.019 ppm2      0.995 CV     1
 OR {  748}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  748}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  748}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  772}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.600     2.600     1.400 peak   772 spectrum    1 weight  0.10000E+01 volume  0.58003E-03 ppm1      8.705 ppm2      0.982 CV     1
 OR {  772}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  772}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  772}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  772}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  772}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  773}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.000     2.000     2.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11459E-02 ppm1      8.711 ppm2      0.869 CV     1
 OR {  773}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 OR {  773}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  773}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  774}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      3.200     1.300     1.300 peak   774 spectrum    1 weight  0.10000E+01 volume  0.19041E-02 ppm1      8.709 ppm2      1.678 CV     1
 OR {  774}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  778}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      4.600     2.600     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.45770E-03 ppm1      8.712 ppm2      1.920 CV     1
 OR {  778}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  783}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.36862E-02 ppm1      8.697 ppm2      4.276 CV     1
 OR {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  785}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.200     1.300     1.300 peak   785 spectrum    1 weight  0.10000E+01 volume  0.15484E-02 ppm1      8.697 ppm2      4.205 CV     1
 OR {  785}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  787}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      4.700     2.800     1.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.71472E-03 ppm1      8.887 ppm2      1.719 CV     1
 OR {  787}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  788}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      4.300     2.400     1.700 peak   788 spectrum    1 weight  0.10000E+01 volume  0.57426E-03 ppm1      8.888 ppm2      1.608 CV     1
 OR {  788}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 OR {  788}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 OR {  788}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  790}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      4.100     2.100     1.900 peak   790 spectrum    1 weight  0.10000E+01 volume  0.78678E-03 ppm1      8.885 ppm2      0.980 CV     1
 OR {  790}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  791}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.200     1.200 peak   791 spectrum    1 weight  0.10000E+01 volume  0.21563E-02 ppm1      8.886 ppm2      0.870 CV     1
 OR {  791}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  800}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.77500E-03 ppm1      8.886 ppm2      4.486 CV     1
 OR {  800}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  801}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.400     2.400     1.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.28495E-03 ppm1      8.889 ppm2      4.277 CV     1
 OR {  801}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  821}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      4.800     2.900     1.200 peak   821 spectrum    1 weight  0.10000E+01 volume  0.38124E-03 ppm1      7.797 ppm2      2.329 CV     1
 OR {  821}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  821}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {    3}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      3.200     1.300     1.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.26586E-02 ppm1      1.025 ppm2      8.245 CV     1
 OR {    3}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {    4}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      3.400     1.500     1.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.24572E-02 ppm1      0.874 ppm2      8.284 CV     1
 OR {    4}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {   10}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak    10 spectrum    1 weight  0.10000E+01 volume  0.28658E-02 ppm1      4.667 ppm2      7.727 CV     1
 OR {   10}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {   17}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.300     0.600     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.83955E-02 ppm1      4.241 ppm2      2.470 CV     1
 OR {   17}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
 OR {   17}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {   18}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.400     0.700     0.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.91926E-02 ppm1      4.237 ppm2      2.202 CV     1
 OR {   18}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {   19}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.47832E-02 ppm1      4.229 ppm2      2.339 CV     1
 OR {   19}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {   21}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.500     0.800     0.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.56638E-02 ppm1      4.230 ppm2      1.650 CV     1
 OR {   21}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
 OR {   21}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {   22}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     0.900     0.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.30652E-02 ppm1      4.230 ppm2      8.516 CV     1
 OR {   22}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {   23}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.45924E-02 ppm1      4.246 ppm2      8.133 CV     1
 OR {   23}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {   28}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 78   and name HD1%)
      2.300     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.47715E-02 ppm1      1.729 ppm2      0.803 CV     1
 OR {   28}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {   29}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 78   and name HG2%)
      2.400     0.700     0.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.44482E-02 ppm1      1.727 ppm2      0.854 CV     1
 OR {   29}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 75   and name HD2%)
 OR {   29}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {   31}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      1.732 ppm2      1.064 CV     1
 OR {   31}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {   32}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD1%)
      3.400     1.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.12504E-02 ppm1      1.732 ppm2      0.988 CV     1
 OR {   32}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 74   and name HG  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {   33}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 78   and name HD1%)
      2.300     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.51224E-02 ppm1      1.292 ppm2      0.805 CV     1
 OR {   33}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {   34}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 78   and name HG2%)
      2.900     1.100     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.48550E-02 ppm1      1.292 ppm2      0.855 CV     1
 OR {   34}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
 OR {   34}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {   36}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 74   and name HD1%)
      3.400     1.400     1.400 peak    36 spectrum    1 weight  0.10000E+01 volume  0.11095E-02 ppm1      1.292 ppm2      0.988 CV     1
 OR {   36}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 74   and name HG  ))
 OR {   36}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 60   and name HG2%)
 OR {   36}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {   37}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HB  ))
      2.600     0.800     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.22913E-02 ppm1      1.729 ppm2      1.940 CV     1
 OR {   37}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {   38}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      2.500     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.22913E-02 ppm1      1.295 ppm2      1.939 CV     1
 OR {   38}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {   51}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.23237E-02 ppm1      2.030 ppm2      7.703 CV     1
 OR {   51}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
 OR {   51}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {   56}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.700     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.31199E-02 ppm1      2.036 ppm2      3.307 CV     1
 OR {   56}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR {   56}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI {   59}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.70881E-02 ppm1      2.031 ppm2      1.692 CV     1
 OR {   59}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {   59}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 13   and name HB% )
 OR {   59}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
 OR {   59}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {   60}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.600     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.31828E-02 ppm1      2.037 ppm2      1.124 CV     1
 OR {   60}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR {   60}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
 OR {   60}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
 OR {   60}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR {   60}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {   62}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.600     0.800     0.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.31430E-02 ppm1      2.039 ppm2      1.389 CV     1
 OR {   62}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR {   62}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   69}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.18792E-02 ppm1      1.864 ppm2      8.481 CV     1
 OR {   69}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {   71}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.000     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.13828E-02 ppm1      2.054 ppm2      7.209 CV     1
 OR {   71}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR {   71}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 OR {   71}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  100}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.41619E-02 ppm1      2.131 ppm2      4.358 CV     1
 OR {  100}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  102}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.40823E-02 ppm1      2.264 ppm2      4.356 CV     1
 OR {  102}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  106}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.26347E-02 ppm1      2.495 ppm2      4.105 CV     1
 OR {  106}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  107}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   107 spectrum    1 weight  0.10000E+01 volume  0.24193E-02 ppm1      2.362 ppm2      4.106 CV     1
 OR {  107}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  107}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  109}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
      4.000     2.000     2.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14831E-02 ppm1      2.497 ppm2      4.269 CV     1
 OR {  109}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  110}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.30631E-02 ppm1      2.348 ppm2      4.289 CV     1
 OR {  110}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  112}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.20488E-02 ppm1      2.046 ppm2      4.237 CV     1
 OR {  112}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  118}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.800     0.400     0.400 peak   118 spectrum    1 weight  0.10000E+01 volume  0.11617E-01 ppm1      2.355 ppm2      2.470 CV     1
 OR {  118}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  121}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.600     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.36021E-02 ppm1      2.212 ppm2      2.597 CV     1
 OR {  121}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  126}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD1 ))
      3.700     1.700     1.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.71256E-03 ppm1      1.867 ppm2      3.486 CV     1
 OR {  126}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI {  132}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      1.887 ppm2      3.016 CV     1
 OR {  132}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
 ASSI {  133}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.900     1.000     1.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.17451E-02 ppm1      1.604 ppm2      3.015 CV     1
 OR {  133}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  140}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      1.600     0.300     0.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.12995E-01 ppm1      1.894 ppm2      1.606 CV     1
 OR {  140}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  147}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.14251E-02 ppm1      2.198 ppm2      8.420 CV     1
 OR {  147}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  148}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.11086E-02 ppm1      2.043 ppm2      8.415 CV     1
 OR {  148}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR {  148}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR {  148}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  152}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.500     1.500 peak   152 spectrum    1 weight  0.10000E+01 volume  0.68178E-03 ppm1      2.203 ppm2      3.956 CV     1
 OR {  152}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  171}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      1.600     0.300     0.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.23718E-01 ppm1      2.274 ppm2      2.469 CV     1
 OR {  171}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR {  171}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI {  177}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.400     1.500     1.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.78495E-03 ppm1      2.169 ppm2      3.334 CV     1
 OR {  177}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI {  182}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.10000E+01 volume  0.15102E-02 ppm1      2.166 ppm2      8.475 CV     1
 OR {  182}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  193}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.40875E-02 ppm1      2.290 ppm2      8.242 CV     1
 OR {  193}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
 OR {  193}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  202}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.000     1.100     1.100 peak   202 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      2.261 ppm2      7.207 CV     1
 OR {  202}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  206}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HD1 ))
      3.800     1.800     1.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.13483E-02 ppm1      2.049 ppm2      4.017 CV     1
 OR {  206}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  209}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HD1 ))
      4.400     2.400     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.61770E-03 ppm1      2.224 ppm2      4.002 CV     1
 OR {  209}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  209}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  215}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     0.900     0.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.24140E-02 ppm1      2.840 ppm2      4.264 CV     1
 OR {  215}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  215}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  216}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.23922E-02 ppm1      2.761 ppm2      4.264 CV     1
 OR {  216}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  221}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.400     0.700     0.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.71678E-02 ppm1      2.311 ppm2      2.831 CV     1
 OR {  221}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  222}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.300     0.700     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.58566E-02 ppm1      2.311 ppm2      2.752 CV     1
 OR {  222}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  225}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
      3.700     1.700     1.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.14037E-02 ppm1      2.334 ppm2      1.043 CV     1
 OR {  225}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {  225}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
 OR {  225}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI {  251}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.600     0.900     0.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.26283E-02 ppm1      2.056 ppm2      1.024 CV     1
 OR {  251}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  251}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  275}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 78   and name HD1%)
      3.600     1.700     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.12100E-02 ppm1      2.750 ppm2      0.830 CV     1
 OR {  275}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  275}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  275}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  276}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 60   and name HD1%)
      3.500     1.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10181E-02 ppm1      2.318 ppm2      0.830 CV     1
 OR {  276}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 78   and name HD1%)
 OR {  276}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  289}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      2.800     2.800     3.200 peak   289 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      0.801 ppm2      4.305 CV     1
 OR {  289}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {  289}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  289}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  291}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      4.100     2.100     1.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      0.853 ppm2      4.655 CV     1
 OR {  291}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  292}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
      3.800     1.800     1.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.10093E-02 ppm1      0.856 ppm2      4.274 CV     1
 OR {  292}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {  292}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HA1 ))
 OR {  292}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  293}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      0.878 ppm2      7.720 CV     1
 OR {  293}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  296}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.29180E-02 ppm1      0.880 ppm2      6.961 CV     1
 OR {  296}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  298}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      3.800     1.800     1.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.14021E-02 ppm1      0.847 ppm2      8.248 CV     1
 OR {  298}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 OR {  298}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  300}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      2.600     2.600     3.400 peak   300 spectrum    1 weight  0.10000E+01 volume  0.13885E-02 ppm1      0.879 ppm2      7.198 CV     1
 OR {  300}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  301}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   301 spectrum    1 weight  0.10000E+01 volume  0.23759E-02 ppm1      0.851 ppm2      3.958 CV     1
 OR {  301}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  303}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.800     1.800     1.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.84326E-03 ppm1      0.873 ppm2      2.777 CV     1
 OR {  303}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
 OR {  303}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  304}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.700     1.700     1.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.11884E-02 ppm1      0.851 ppm2      2.751 CV     1
 OR {  304}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 76   and name HB1 ))
 OR {  304}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  304}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  309}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      2.600     2.600     3.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.13749E-02 ppm1      0.798 ppm2      2.038 CV     1
 OR {  309}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
 OR {  309}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  310}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.800     1.000     1.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.46402E-02 ppm1      0.799 ppm2      1.935 CV     1
 OR {  310}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  312}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.000     1.200     1.200 peak   312 spectrum    1 weight  0.10000E+01 volume  0.30905E-02 ppm1      0.797 ppm2      1.518 CV     1
 OR {  312}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
 ASSI {  313}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.34287E-02 ppm1      0.797 ppm2      1.426 CV     1
 OR {  313}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 65   and name HB% )
 ASSI {  315}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
      2.700     2.700     3.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.12274E-02 ppm1      0.796 ppm2      1.842 CV     1
 OR {  315}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
 ASSI {  323}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.100     0.500     0.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.10222E-01 ppm1      0.873 ppm2      1.811 CV     1
 OR {  323}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB  ))
 OR {  323}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  324}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.000     0.500     0.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.99352E-02 ppm1      0.872 ppm2      1.536 CV     1
 OR {  324}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  327}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.86578E-03 ppm1      0.620 ppm2      4.216 CV     1
 OR {  327}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  327}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  328}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.800     1.800     1.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.20545E-02 ppm1      0.619 ppm2      3.886 CV     1
 OR {  328}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 OR {  328}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  329}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.75802E-03 ppm1      0.667 ppm2      4.354 CV     1
 OR {  329}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  330}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.500     1.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.10865E-02 ppm1      0.667 ppm2      4.217 CV     1
 OR {  330}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  332}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      4.600     2.600     1.400 peak   332 spectrum    1 weight  0.10000E+01 volume  0.50549E-03 ppm1      0.620 ppm2      4.343 CV     1
 OR {  332}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  332}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  332}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  346}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.300     1.400     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.16959E-02 ppm1      0.618 ppm2      1.935 CV     1
 OR {  346}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
 OR {  346}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 OR {  346}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  348}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.17245E-02 ppm1      0.619 ppm2      1.692 CV     1
 OR {  348}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
 OR {  348}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
 OR {  348}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
 OR {  348}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HG  ))
 OR {  348}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HG11))
 ASSI {  349}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      4.200     2.200     1.800 peak   349 spectrum    1 weight  0.10000E+01 volume  0.67559E-03 ppm1      0.663 ppm2      1.686 CV     1
 OR {  349}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
 OR {  349}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
 OR {  349}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HG  ))
 OR {  349}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  352}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 6    and name HG2%)
      3.900     1.900     1.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.11033E-02 ppm1      0.620 ppm2      1.406 CV     1
 OR {  352}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 6    and name HG2%)
 OR {  352}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
 OR {  352}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
 OR {  352}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  360}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      2.400     0.700     0.700 peak   360 spectrum    1 weight  0.10000E+01 volume  0.67095E-02 ppm1      0.620 ppm2      0.866 CV     1
 OR {  360}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
 OR {  360}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
 OR {  360}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  361}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
      3.100     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.42349E-02 ppm1      0.665 ppm2      0.871 CV     1
 OR {  361}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 OR {  361}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  362}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.73808E-02 ppm1      0.619 ppm2      1.038 CV     1
 OR {  362}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 10   and name HD1%)
 OR {  362}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  362}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  362}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  363}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 82   and name HD2%)
      2.500     0.800     0.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.70252E-02 ppm1      0.664 ppm2      1.021 CV     1
 OR {  363}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 OR {  363}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD2%)
 OR {  363}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 10   and name HD1%)
 OR {  363}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 82   and name HD1%)
 OR {  363}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  363}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  364}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak   364 spectrum    1 weight  0.10000E+01 volume  0.13980E-02 ppm1      0.879 ppm2      3.606 CV     1
 OR {  364}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  366}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      3.700     1.700     1.700 peak   366 spectrum    1 weight  0.10000E+01 volume  0.18633E-02 ppm1      0.879 ppm2      7.672 CV     1
 OR {  366}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD22))
 OR {  366}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  367}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.28540E-02 ppm1      0.879 ppm2      8.725 CV     1
 OR {  367}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  368}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.15684E-02 ppm1      0.904 ppm2      8.416 CV     1
 OR {  368}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  371}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      4.500     2.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.58904E-03 ppm1      0.878 ppm2      4.494 CV     1
 OR {  371}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  372}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      2.400     0.700     0.700 peak   372 spectrum    1 weight  0.10000E+01 volume  0.43662E-02 ppm1      0.880 ppm2      3.884 CV     1
 OR {  372}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  373}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.11542E-01 ppm1      0.874 ppm2      2.202 CV     1
 OR {  373}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HG1 ))
 OR {  373}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  374}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      1.800     0.400     0.400 peak   374 spectrum    1 weight  0.10000E+01 volume  0.25532E-01 ppm1      0.878 ppm2      1.688 CV     1
 OR {  374}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  375}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
      2.100     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.11298E-01 ppm1      0.879 ppm2      1.553 CV     1
 OR {  375}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  375}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
 OR {  375}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 18   and name HB% )
 ASSI {  378}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.800     1.800     1.800 peak   378 spectrum    1 weight  0.10000E+01 volume  0.18117E-02 ppm1      0.803 ppm2      4.364 CV     1
 OR {  378}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  382}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      4.000     2.000     2.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.13709E-02 ppm1      0.903 ppm2      4.394 CV     1
 OR {  382}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 OR {  382}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  388}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.18952E-02 ppm1      0.895 ppm2      7.323 CV     1
 OR {  388}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 OR {  388}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
 ASSI {  390}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.500     1.500 peak   390 spectrum    1 weight  0.10000E+01 volume  0.20494E-02 ppm1      0.802 ppm2      8.487 CV     1
 OR {  390}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  393}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      4.900     3.000     1.100 peak   393 spectrum    1 weight  0.10000E+01 volume  0.46340E-03 ppm1      0.801 ppm2      6.958 CV     1
 OR {  393}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  408}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.21951E-02 ppm1      0.983 ppm2      4.221 CV     1
 OR {  408}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  413}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 79   and name HD22))
      4.400     2.400     1.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.62319E-03 ppm1      0.984 ppm2      7.704 CV     1
 OR {  413}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  415}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.600     2.600     1.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.51717E-03 ppm1      0.985 ppm2      8.733 CV     1
 OR {  415}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  417}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      3.800     1.800     1.800 peak   417 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      1.347 ppm2      6.923 CV     1
 OR {  417}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI {  419}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.800     1.800     1.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.12573E-02 ppm1      1.358 ppm2      8.115 CV     1
 OR {  419}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  421}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
      3.500     1.500     1.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.59828E-03 ppm1      1.346 ppm2      7.205 CV     1
 OR {  421}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  422}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.26507E-02 ppm1      1.356 ppm2      4.099 CV     1
 OR {  422}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 66   and name HA1 ))
 ASSI {  423}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.11586E-02 ppm1      1.365 ppm2      3.902 CV     1
 OR {  423}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  424}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.17377E-02 ppm1      1.360 ppm2      4.241 CV     1
 OR {  424}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  424}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  428}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.800     1.000     1.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.25324E-02 ppm1      1.355 ppm2      3.016 CV     1
 OR {  428}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  430}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.800     1.000     1.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.12028E-02 ppm1      1.351 ppm2      2.791 CV     1
 OR {  430}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  438}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak   438 spectrum    1 weight  0.10000E+01 volume  0.13943E-02 ppm1      1.073 ppm2      4.360 CV     1
 OR {  438}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  441}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.12576E-02 ppm1      1.071 ppm2      7.216 CV     1
 OR {  441}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
 ASSI {  443}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.200     1.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.51379E-03 ppm1      1.072 ppm2      8.483 CV     1
 OR {  443}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  446}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.400     1.500     1.500 peak   446 spectrum    1 weight  0.10000E+01 volume  0.11254E-02 ppm1      0.964 ppm2      8.265 CV     1
 OR {  446}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  455}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak   455 spectrum    1 weight  0.10000E+01 volume  0.23297E-02 ppm1      1.046 ppm2      8.417 CV     1
 OR {  455}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  460}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 57   and name HA1 ))
      3.300     1.400     1.400 peak   460 spectrum    1 weight  0.10000E+01 volume  0.34818E-03 ppm1      0.989 ppm2      4.109 CV     1
 OR {  460}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 57   and name HA2 ))
 OR {  460}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  463}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H28B))
      3.300     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.83284E-03 ppm1      1.014 ppm2      3.914 CV     1
 OR {  463}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H28A))
 OR {  463}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 42   and name H28B))
 OR {  463}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  463}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  466}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.63126E-03 ppm1      0.199 ppm2      3.982 CV     1
 OR {  466}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  467}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
      3.500     1.600     1.600 peak   467 spectrum    1 weight  0.10000E+01 volume  0.96650E-03 ppm1      0.369 ppm2      4.388 CV     1
 OR {  467}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  468}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.400     1.400 peak   468 spectrum    1 weight  0.10000E+01 volume  0.20586E-02 ppm1      0.371 ppm2      4.259 CV     1
 OR {  468}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  468}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
 OR {  468}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  470}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      3.500     1.600     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.11441E-02 ppm1      0.198 ppm2      4.259 CV     1
 OR {  470}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  470}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  473}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
      4.400     2.400     1.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.71012E-03 ppm1      0.370 ppm2      3.982 CV     1
 OR {  473}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  479}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HG1 ))
      4.400     2.400     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.10509E-02 ppm1      0.198 ppm2      2.789 CV     1
 OR {  479}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HG2 ))
 OR {  479}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  485}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.800     1.000     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.57754E-02 ppm1      0.200 ppm2      1.533 CV     1
 OR {  485}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  493}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.100     1.100 peak   493 spectrum    1 weight  0.10000E+01 volume  0.30641E-02 ppm1      0.372 ppm2      1.092 CV     1
 OR {  493}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  494}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
      3.100     1.200     1.200 peak   494 spectrum    1 weight  0.10000E+01 volume  0.26399E-02 ppm1      0.198 ppm2      1.095 CV     1
 ASSI {  495}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
      3.300     1.400     1.400 peak   495 spectrum    1 weight  0.10000E+01 volume  0.15149E-02 ppm1      0.195 ppm2      0.877 CV     1
 OR {  495}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 OR {  495}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
 OR {  495}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  496}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 38   and name HD1%)
      3.300     1.300     1.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.58721E-03 ppm1      0.377 ppm2      0.868 CV     1
 OR {  496}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 OR {  496}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
 OR {  496}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  502}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.300     1.400     1.400 peak   502 spectrum    1 weight  0.10000E+01 volume  0.25072E-02 ppm1      0.200 ppm2      6.950 CV     1
 OR {  502}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  507}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.500     1.500     1.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.21847E-02 ppm1      0.449 ppm2      7.210 CV     1
 OR {  507}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  510}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      4.500     2.500     1.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.40504E-03 ppm1      0.198 ppm2      8.246 CV     1
 OR {  510}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  514}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.500     2.500     1.500 peak   514 spectrum    1 weight  0.10000E+01 volume  0.37173E-03 ppm1      0.451 ppm2      8.726 CV     1
 OR {  514}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  515}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH11))
      4.900     3.000     1.100 peak   515 spectrum    1 weight  0.10000E+01 volume  0.65303E-03 ppm1      0.451 ppm2      6.917 CV     1
 OR {  515}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 OR {  515}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 OR {  515}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH21))
 OR {  515}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH12))
 ASSI {  516}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      4.400     2.400     1.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.60138E-03 ppm1      0.699 ppm2      6.957 CV     1
 OR {  516}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  518}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.77097E-03 ppm1      0.698 ppm2      7.203 CV     1
 OR {  518}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  535}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      3.100     1.200     1.200 peak   535 spectrum    1 weight  0.10000E+01 volume  0.52298E-02 ppm1      0.451 ppm2      1.641 CV     1
 OR {  535}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  535}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  543}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      4.000     2.000     2.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.17104E-02 ppm1      0.889 ppm2      2.771 CV     1
 OR {  543}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  550}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.100     0.600     0.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.10571E-01 ppm1      1.032 ppm2      2.208 CV     1
 OR {  550}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  554}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD1 ))
      3.700     1.700     1.700 peak   554 spectrum    1 weight  0.10000E+01 volume  0.20222E-02 ppm1      1.035 ppm2      4.002 CV     1
 OR {  554}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
 OR {  554}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  555}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
      4.500     2.500     1.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.54067E-03 ppm1      1.033 ppm2      4.439 CV     1
 OR {  555}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  555}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  558}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      2.800     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.30928E-02 ppm1      1.080 ppm2      3.013 CV     1
 OR {  558}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  565}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.49268E-03 ppm1      1.077 ppm2      7.216 CV     1
 OR {  565}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 11   and name HE  ))
 OR {  565}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 30   and name HE% )
 ASSI {  567}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.19006E-02 ppm1      1.080 ppm2      8.457 CV     1
 OR {  567}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
 OR {  567}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  576}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.20166E-02 ppm1      1.420 ppm2      4.531 CV     1
 OR {  576}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  578}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
      4.100     2.100     1.900 peak   578 spectrum    1 weight  0.10000E+01 volume  0.97734E-03 ppm1      1.420 ppm2      2.711 CV     1
 OR {  578}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  578}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  581}
   (  segid "    " and resid 3    and name HG2%)
   (  segid "    " and resid 56   and name HE% )
      3.900     1.900     1.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.51585E-03 ppm1      1.384 ppm2      6.814 CV     1
 OR {  581}
   (  segid "    " and resid 6    and name HG2%)
   (  segid "    " and resid 56   and name HE% )
 ASSI {  585}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.500     1.500     1.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.16721E-02 ppm1      0.979 ppm2      3.992 CV     1
 OR {  585}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  588}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   588 spectrum    1 weight  0.10000E+01 volume  0.16083E-02 ppm1      1.041 ppm2      4.198 CV     1
 OR {  588}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  592}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   592 spectrum    1 weight  0.10000E+01 volume  0.27688E-02 ppm1      1.036 ppm2      8.241 CV     1
 OR {  592}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  593}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.100     1.100 peak   593 spectrum    1 weight  0.10000E+01 volume  0.38061E-02 ppm1      0.979 ppm2      8.248 CV     1
 OR {  593}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  601}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.97640E-03 ppm1      0.797 ppm2      8.729 CV     1
 OR {  601}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  603}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      4.500     2.500     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.50910E-03 ppm1      0.797 ppm2      4.517 CV     1
 OR {  603}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  604}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.49887E-03 ppm1      0.797 ppm2      4.222 CV     1
 OR {  604}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  604}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  604}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  607}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.400     1.400     1.400 peak   607 spectrum    1 weight  0.10000E+01 volume  0.34443E-02 ppm1      0.699 ppm2      1.432 CV     1
 OR {  607}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  608}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.400     0.700     0.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.48742E-02 ppm1      0.698 ppm2      1.248 CV     1
 OR {  608}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
 ASSI {  609}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
      2.400     0.700     0.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.53429E-02 ppm1      0.699 ppm2      1.074 CV     1
 OR {  609}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  610}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      2.400     0.700     0.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.60799E-02 ppm1      0.450 ppm2      1.384 CV     1
 OR {  610}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  613}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.700     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.63999E-02 ppm1      0.763 ppm2      4.397 CV     1
 OR {  613}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  619}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      4.200     2.200     1.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.60227E-03 ppm1      0.697 ppm2      4.737 CV     1
 ASSI {  624}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 72   and name HH11))
      4.700     2.700     1.300 peak   624 spectrum    1 weight  0.10000E+01 volume  0.46353E-03 ppm1      1.394 ppm2      6.922 CV     1
 OR {  624}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 72   and name HH12))
 ASSI {  628}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.15269E-02 ppm1      1.133 ppm2      7.478 CV     1
 OR {  628}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  630}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H36A))
      4.400     2.400     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.41869E-03 ppm1      1.066 ppm2      8.134 CV     1
 OR {  630}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  631}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H36A))
      4.700     2.800     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.38841E-03 ppm1      1.013 ppm2      8.134 CV     1
 OR {  631}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
 OR {  631}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  633}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.76144E-03 ppm1      1.048 ppm2      7.703 CV     1
 OR {  633}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
 OR {  633}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  634}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.600     1.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.19898E-02 ppm1      1.392 ppm2      8.856 CV     1
 OR {  634}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  639}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.000     2.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.43933E-03 ppm1      1.392 ppm2      8.075 CV     1
 OR {  639}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 OR {  639}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  641}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.800     1.800     1.800 peak   641 spectrum    1 weight  0.10000E+01 volume  0.84462E-03 ppm1      0.889 ppm2      7.969 CV     1
 OR {  641}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  642}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.800     2.800     1.200 peak   642 spectrum    1 weight  0.10000E+01 volume  0.48231E-03 ppm1      0.887 ppm2      8.285 CV     1
 OR {  642}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
 OR {  642}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 OR {  642}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  645}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
      5.100     3.300     0.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.28380E-03 ppm1      1.047 ppm2      7.320 CV     1
 OR {  645}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 OR {  645}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  647}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.800     1.800     1.800 peak   647 spectrum    1 weight  0.10000E+01 volume  0.44749E-03 ppm1      0.765 ppm2      7.120 CV     1
 OR {  647}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
 ASSI {  656}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      4.800     2.800     1.200 peak   656 spectrum    1 weight  0.10000E+01 volume  0.39652E-03 ppm1      1.385 ppm2      4.239 CV     1
 OR {  656}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  657}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.53312E-03 ppm1      1.393 ppm2      4.624 CV     1
 OR {  657}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
 ASSI {  658}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 29   and name HA  ))
      5.000     3.100     1.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.33475E-03 ppm1      1.391 ppm2      4.853 CV     1
 OR {  658}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
 ASSI {  660}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.100     3.100     2.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.93028E-02 ppm1      1.044 ppm2      4.315 CV     1
 OR {  660}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  661}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      4.100     2.100     1.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.80137E-03 ppm1      1.042 ppm2      4.419 CV     1
 OR {  661}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 OR {  661}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  662}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      4.500     2.500     1.500 peak   662 spectrum    1 weight  0.10000E+01 volume  0.72180E-03 ppm1      0.887 ppm2      4.195 CV     1
 OR {  662}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  664}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 83   and name HA  ))
      3.500     1.500     1.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.16025E-02 ppm1      0.887 ppm2      4.272 CV     1
 OR {  664}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
 OR {  664}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  664}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 OR {  664}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  665}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 46   and name HB1 ))
      4.800     2.900     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.52646E-03 ppm1      1.068 ppm2      2.325 CV     1
 OR {  665}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 46   and name HB2 ))
 OR {  665}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  670}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.47415E-02 ppm1      1.048 ppm2      2.225 CV     1
 OR {  670}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
 OR {  670}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  674}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H38A))
      3.300     1.400     1.400 peak   674 spectrum    1 weight  0.10000E+01 volume  0.64031E-03 ppm1      1.066 ppm2      2.599 CV     1
 OR {  674}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H38B))
 OR {  674}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 47   and name HG1 ))
 ASSI {  678}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      4.100     2.100     1.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.84096E-03 ppm1      1.127 ppm2      4.204 CV     1
 ASSI {  679}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak   679 spectrum    1 weight  0.10000E+01 volume  0.50896E-02 ppm1      1.122 ppm2      4.030 CV     1
 OR {  679}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  681}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.19415E-02 ppm1      1.066 ppm2      3.956 CV     1
 OR {  681}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  682}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      4.300     2.300     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.14810E-02 ppm1      1.047 ppm2      3.891 CV     1
 OR {  682}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  682}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  686}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.21802E-02 ppm1      1.121 ppm2      8.235 CV     1
 OR {  686}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  687}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
      3.900     1.900     1.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.78720E-03 ppm1      1.070 ppm2      8.271 CV     1
 OR {  687}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  692}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      5.500     3.800     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.27850E-03 ppm1      1.047 ppm2      8.728 CV     1
 OR {  692}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
 OR {  692}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  693}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.82037E-03 ppm1      1.065 ppm2      8.730 CV     1
 OR {  693}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  701}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   701 spectrum    1 weight  0.10000E+01 volume  0.20517E-02 ppm1      1.242 ppm2      8.498 CV     1
 OR {  701}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  713}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.16711E-02 ppm1      2.433 ppm2      8.733 CV     1
 OR {  713}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  714}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak   714 spectrum    1 weight  0.10000E+01 volume  0.13242E-02 ppm1      1.697 ppm2      8.732 CV     1
 OR {  714}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  717}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.100     1.100 peak   717 spectrum    1 weight  0.10000E+01 volume  0.16457E-02 ppm1      2.434 ppm2      4.242 CV     1
 OR {  717}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  718}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.100     1.100 peak   718 spectrum    1 weight  0.10000E+01 volume  0.15029E-02 ppm1      1.696 ppm2      4.250 CV     1
 OR {  718}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  722}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      3.300     1.400     1.400 peak   722 spectrum    1 weight  0.10000E+01 volume  0.52955E-03 ppm1      2.432 ppm2      0.869 CV     1
 OR {  722}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  723}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD2%)
      2.800     1.000     1.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.35642E-02 ppm1      2.434 ppm2      1.065 CV     1
 OR {  723}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  725}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.300     1.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.61700E-03 ppm1      2.435 ppm2      0.790 CV     1
 OR {  725}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  731}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.100     1.100 peak   731 spectrum    1 weight  0.10000E+01 volume  0.54494E-02 ppm1      2.197 ppm2      8.724 CV     1
 OR {  731}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  735}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
      2.200     0.600     0.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.41223E-02 ppm1      2.024 ppm2      8.290 CV     1
 OR {  735}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  737}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.900     0.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.40003E-02 ppm1      2.038 ppm2      8.006 CV     1
 OR {  737}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  738}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.49315E-02 ppm1      2.356 ppm2      8.087 CV     1
 OR {  738}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  740}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   740 spectrum    1 weight  0.10000E+01 volume  0.12110E-02 ppm1      1.639 ppm2      8.085 CV     1
 OR {  740}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  746}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.200     0.600     0.600 peak   746 spectrum    1 weight  0.10000E+01 volume  0.40923E-02 ppm1      1.547 ppm2      8.727 CV     1
 OR {  746}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  747}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.20280E-02 ppm1      1.436 ppm2      8.417 CV     1
 OR {  747}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  748}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   748 spectrum    1 weight  0.10000E+01 volume  0.21207E-02 ppm1      1.404 ppm2      8.482 CV     1
 OR {  748}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  751}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.97809E-03 ppm1      1.784 ppm2      8.484 CV     1
 OR {  751}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  753}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.20069E-02 ppm1      1.563 ppm2      8.293 CV     1
 OR {  753}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  759}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.75032E-03 ppm1      2.357 ppm2      7.214 CV     1
 OR {  759}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  760}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.41709E-02 ppm1      1.600 ppm2      9.420 CV     1
 OR {  760}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  764}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      4.100     2.100     1.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.92386E-03 ppm1      1.600 ppm2      7.328 CV     1
 OR {  764}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
 OR {  764}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
 ASSI {  770}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      4.400     2.400     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.49573E-03 ppm1      1.020 ppm2      8.088 CV     1
 OR {  770}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  779}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.700     2.800     1.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.28769E-03 ppm1      2.226 ppm2      8.135 CV     1
 OR {  779}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 OR {  779}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  786}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH11))
      4.300     2.400     1.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.62310E-03 ppm1      1.645 ppm2      6.911 CV     1
 OR {  786}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
 OR {  786}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH12))
 OR {  786}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
 OR {  786}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH21))
 OR {  786}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH22))
 OR {  786}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  801}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.47007E-02 ppm1      2.036 ppm2      4.279 CV     1
 OR {  801}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  802}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.36822E-02 ppm1      1.918 ppm2      4.280 CV     1
 OR {  802}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  809}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HG1 ))
      4.600     2.700     1.400 peak   809 spectrum    1 weight  0.10000E+01 volume  0.45379E-03 ppm1      1.042 ppm2      2.625 CV     1
 OR {  809}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  810}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.30488E-02 ppm1      1.548 ppm2      3.883 CV     1
 OR {  810}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  810}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  810}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  811}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   811 spectrum    1 weight  0.10000E+01 volume  0.17168E-02 ppm1      1.613 ppm2      3.895 CV     1
 OR {  811}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  813}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.900     1.900     1.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.84359E-03 ppm1      1.600 ppm2      3.043 CV     1
 OR {  813}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
 OR {  813}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  813}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  815}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      5.100     3.200     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.47283E-03 ppm1      1.640 ppm2      3.606 CV     1
 OR {  815}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI {  816}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.37159E-02 ppm1      1.567 ppm2      4.209 CV     1
 OR {  816}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  817}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   817 spectrum    1 weight  0.10000E+01 volume  0.31541E-02 ppm1      1.605 ppm2      4.376 CV     1
 OR {  817}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  817}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  826}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   826 spectrum    1 weight  0.10000E+01 volume  0.36578E-02 ppm1      1.424 ppm2      4.312 CV     1
 OR {  826}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  828}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.28037E-02 ppm1      1.486 ppm2      4.370 CV     1
 OR {  828}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  834}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.100     1.100 peak   834 spectrum    1 weight  0.10000E+01 volume  0.24297E-02 ppm1      1.796 ppm2      8.226 CV     1
 OR {  834}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  835}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      4.000     2.000     2.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.14560E-02 ppm1      1.131 ppm2      8.730 CV     1
 OR {  835}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  838}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HN  ))
      4.400     2.400     1.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.53720E-03 ppm1      0.880 ppm2      8.865 CV     1
 OR {  838}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  840}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      1.695 ppm2      8.725 CV     1
 OR {  840}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  842}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak   842 spectrum    1 weight  0.10000E+01 volume  0.58552E-03 ppm1      1.558 ppm2      9.012 CV     1
 OR {  842}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HE  ))
 OR {  842}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  844}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   844 spectrum    1 weight  0.10000E+01 volume  0.11586E-02 ppm1      1.623 ppm2      8.481 CV     1
 OR {  844}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  851}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      5.700     4.100     0.300 peak   851 spectrum    1 weight  0.10000E+01 volume  0.16623E-03 ppm1      1.051 ppm2      8.851 CV     1
 OR {  851}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  857}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      3.900     1.900     1.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.75549E-03 ppm1      0.765 ppm2      3.912 CV     1
 OR {  857}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  857}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  857}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  860}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   860 spectrum    1 weight  0.10000E+01 volume  0.51740E-02 ppm1      1.242 ppm2      4.510 CV     1
 OR {  860}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  872}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.300     2.300     1.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.89721E-03 ppm1      0.961 ppm2      4.761 CV     1
 OR {  872}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  874}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.700     1.700     1.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.16883E-02 ppm1      0.973 ppm2      2.789 CV     1
 OR {  874}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  875}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
      3.600     1.600     1.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.95275E-03 ppm1      0.960 ppm2      3.009 CV     1
 OR {  875}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  879}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HG2 ))
      3.800     1.800     1.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.92001E-03 ppm1      1.042 ppm2      2.395 CV     1
 OR {  879}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HG2 ))
 OR {  879}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  888}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.54949E-03 ppm1      1.039 ppm2      7.798 CV     1
 OR {  888}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  890}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.400     1.400     1.400 peak   890 spectrum    1 weight  0.10000E+01 volume  0.20252E-02 ppm1      1.132 ppm2      7.324 CV     1
 OR {  890}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 30   and name HZ  ))
 OR {  890}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI {  893}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH11))
      4.400     2.500     1.600 peak   893 spectrum    1 weight  0.10000E+01 volume  0.93024E-03 ppm1      1.517 ppm2      6.927 CV     1
 OR {  893}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH21))
 OR {  893}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 35   and name HE% )
 OR {  893}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH12))
 OR {  893}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI {  904}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak   904 spectrum    1 weight  0.10000E+01 volume  0.27239E-02 ppm1      1.550 ppm2      7.720 CV     1
 OR {  904}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  905}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.22492E-02 ppm1      1.131 ppm2      4.226 CV     1
 OR {  905}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  907}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
      4.100     2.100     1.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.56966E-03 ppm1      1.194 ppm2      8.081 CV     1
 OR {  907}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  908}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      3.600     1.600     1.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      1.130 ppm2      3.881 CV     1
 OR {  908}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  909}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   909 spectrum    1 weight  0.10000E+01 volume  0.13040E-02 ppm1      1.692 ppm2      3.884 CV     1
 OR {  909}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  913}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 61   and name HD1 ))
      4.900     3.100     1.100 peak   913 spectrum    1 weight  0.10000E+01 volume  0.45050E-03 ppm1      1.119 ppm2      3.992 CV     1
 OR {  913}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  917}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.100     2.100     1.900 peak   917 spectrum    1 weight  0.10000E+01 volume  0.90495E-03 ppm1      1.743 ppm2      8.131 CV     1
 OR {  917}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  919}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.19443E-02 ppm1      1.123 ppm2      8.417 CV     1
 OR {  919}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  923}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      4.700     2.700     1.300 peak   923 spectrum    1 weight  0.10000E+01 volume  0.27575E-03 ppm1      1.120 ppm2      8.520 CV     1
 OR {  923}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  924}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.600     1.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.12310E-02 ppm1      1.540 ppm2      8.509 CV     1
 OR {  924}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  933}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.700     1.700 peak   933 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      1.223 ppm2      7.481 CV     1
 OR {  933}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  935}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
      4.100     2.100     1.900 peak   935 spectrum    1 weight  0.10000E+01 volume  0.90350E-03 ppm1      1.127 ppm2      4.229 CV     1
 OR {  935}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  935}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
 OR {  935}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  936}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.100     0.600     0.600 peak   936 spectrum    1 weight  0.10000E+01 volume  0.10053E-01 ppm1      1.125 ppm2      4.411 CV     1
 OR {  936}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  937}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.12927E-02 ppm1      1.126 ppm2      4.320 CV     1
 OR {  937}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  940}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.300     0.700     0.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.83829E-02 ppm1      1.124 ppm2      3.953 CV     1
 OR {  940}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  941}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.400     1.400     1.400 peak   941 spectrum    1 weight  0.10000E+01 volume  0.15702E-02 ppm1      1.123 ppm2      2.222 CV     1
 OR {  941}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  942}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HG  ))
      2.700     2.700     3.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.36191E-02 ppm1      1.123 ppm2      1.879 CV     1
 OR {  942}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
 OR {  942}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  943}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      2.500     0.800     0.800 peak   943 spectrum    1 weight  0.10000E+01 volume  0.39051E-02 ppm1      1.122 ppm2      2.041 CV     1
 OR {  943}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  955}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.500     1.500 peak   955 spectrum    1 weight  0.10000E+01 volume  0.30970E-03 ppm1      1.066 ppm2      4.777 CV     1
 OR {  955}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  959}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.31328E-02 ppm1      1.065 ppm2      7.721 CV     1
 OR {  959}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  973}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 59   and name HB1 ))
      3.900     1.900     1.900 peak   973 spectrum    1 weight  0.10000E+01 volume  0.33895E-03 ppm1      1.026 ppm2      3.836 CV     1
 OR {  973}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  974}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.700     1.700     1.700 peak   974 spectrum    1 weight  0.10000E+01 volume  0.84908E-03 ppm1      1.026 ppm2      3.760 CV     1
 OR {  974}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  978}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      4.300     2.300     1.700 peak   978 spectrum    1 weight  0.10000E+01 volume  0.55202E-03 ppm1      1.024 ppm2      4.462 CV     1
 OR {  978}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  984}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.100     0.500     0.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.11821E-01 ppm1      1.536 ppm2      3.952 CV     1
 OR {  984}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  986}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.400     1.500     1.500 peak   986 spectrum    1 weight  0.10000E+01 volume  0.84110E-03 ppm1      0.875 ppm2      2.780 CV     1
 OR {  986}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  993}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 74   and name HA  ))
      3.900     1.900     1.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.97279E-03 ppm1      1.397 ppm2      4.329 CV     1
 OR {  993}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1012}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.13093E-02 ppm1      1.395 ppm2      3.898 CV     1
 OR { 1012}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 1016}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.300     1.300 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.12457E-02 ppm1      1.066 ppm2      3.091 CV     1
 OR { 1016}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1017}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.14616E-02 ppm1      1.066 ppm2      2.990 CV     1
 OR { 1017}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1018}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.400     3.400     2.600 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.36492E-03 ppm1      1.067 ppm2      3.291 CV     1
 OR { 1018}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 OR { 1018}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 1019}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.400     1.400 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.83528E-03 ppm1      1.396 ppm2      2.751 CV     1
 OR { 1019}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HB2 ))
 OR { 1019}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 76   and name HB1 ))
 ASSI { 1020}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
      3.900     1.900     1.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.16183E-02 ppm1      1.517 ppm2      2.800 CV     1
 OR { 1020}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1023}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HB1 ))
      3.200     3.200     2.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.87704E-03 ppm1      1.393 ppm2      2.829 CV     1
 OR { 1023}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 63   and name HB1 ))
 OR { 1023}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1026}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
      4.400     2.500     1.600 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.36155E-03 ppm1      1.523 ppm2      4.426 CV     1
 OR { 1026}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1029}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.900     1.900     1.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      1.667 ppm2      3.957 CV     1
 OR { 1029}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR { 1029}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
 OR { 1029}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR { 1029}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1041}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.800     0.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.74183E-02 ppm1      0.965 ppm2      4.275 CV     1
 OR { 1041}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1043}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.59307E-03 ppm1      0.964 ppm2      4.464 CV     1
 OR { 1043}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 OR { 1043}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 1051}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.000     1.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.20219E-02 ppm1      2.195 ppm2      3.888 CV     1
 OR { 1051}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1052}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.200     1.200 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      2.345 ppm2      3.865 CV     1
 OR { 1052}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1068}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.27323E-02 ppm1      3.042 ppm2      4.547 CV     1
 OR { 1068}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1072}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.44941E-02 ppm1      2.702 ppm2      4.556 CV     1
 OR { 1072}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR { 1072}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1078}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.34533E-02 ppm1      3.037 ppm2      8.087 CV     1
 OR { 1078}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1079}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.67888E-03 ppm1      3.097 ppm2      7.729 CV     1
 OR { 1079}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1082}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     1.500     1.500 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.82327E-03 ppm1      2.994 ppm2      7.727 CV     1
 OR { 1082}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1090}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.44845E-03 ppm1      3.089 ppm2      8.484 CV     1
 OR { 1090}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1092}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.12276E-02 ppm1      2.711 ppm2      8.091 CV     1
 OR { 1092}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1093}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.13910E-02 ppm1      2.703 ppm2      9.001 CV     1
 OR { 1093}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 1100}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.65317E-03 ppm1      2.993 ppm2      8.485 CV     1
 OR { 1100}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1103}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.20597E-02 ppm1      2.795 ppm2      8.045 CV     1
 OR { 1103}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1110}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.98287E-03 ppm1      3.013 ppm2      7.195 CV     1
 OR { 1110}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1112}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.500     2.600     1.500 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.66194E-03 ppm1      3.293 ppm2      7.201 CV     1
 OR { 1112}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1116}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.97372E-03 ppm1      3.294 ppm2      8.071 CV     1
 OR { 1116}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1119}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      4.100     2.100     1.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.59922E-03 ppm1      3.035 ppm2      1.065 CV     1
 OR { 1119}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 OR { 1119}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1119}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 70   and name HG2%)
 OR { 1119}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1120}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.800     1.800     1.800 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.55184E-03 ppm1      3.091 ppm2      1.064 CV     1
 OR { 1120}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1121}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
      3.500     1.500     1.500 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.17407E-02 ppm1      3.038 ppm2      1.577 CV     1
 OR { 1121}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HG12))
 OR { 1121}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1121}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1122}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      3.800     1.800     1.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.82632E-03 ppm1      2.997 ppm2      1.065 CV     1
 OR { 1122}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1123}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.15067E-02 ppm1      2.701 ppm2      1.576 CV     1
 OR { 1123}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 OR { 1123}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
 OR { 1123}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1124}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.600     1.600     1.600 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.80789E-03 ppm1      2.721 ppm2      1.404 CV     1
 OR { 1124}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1124}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1124}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1124}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 1125}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.200     2.200     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.54349E-03 ppm1      3.096 ppm2      1.846 CV     1
 OR { 1125}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1126}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.75389E-03 ppm1      2.996 ppm2      1.848 CV     1
 OR { 1126}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1134}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.900     1.900     1.900 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.10020E-02 ppm1      2.723 ppm2      2.041 CV     1
 OR { 1134}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1134}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1134}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1134}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1134}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1134}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1134}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 1135}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.13426E-02 ppm1      3.008 ppm2      4.370 CV     1
 OR { 1135}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
 OR { 1135}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1139}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.17270E-02 ppm1      2.772 ppm2      4.240 CV     1
 OR { 1139}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1149}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.000     2.000     2.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.77711E-03 ppm1      2.751 ppm2      4.543 CV     1
 OR { 1149}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 1149}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1149}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1153}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      3.600     1.700     1.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.15453E-02 ppm1      3.295 ppm2      1.069 CV     1
 OR { 1153}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1156}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      4.600     2.700     1.400 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.47527E-03 ppm1      3.009 ppm2      0.873 CV     1
 OR { 1156}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 1156}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1159}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 38   and name HG12))
      3.700     1.700     1.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.12770E-02 ppm1      2.796 ppm2      1.523 CV     1
 OR { 1159}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1159}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1159}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1165}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      2.600     0.800     0.800 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.35585E-02 ppm1      2.200 ppm2      1.684 CV     1
 OR { 1165}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1166}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      4.300     2.300     1.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.60180E-03 ppm1      2.335 ppm2      1.687 CV     1
 OR { 1166}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 13   and name HB% )
 OR { 1166}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1175}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
      3.500     1.600     1.600 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.21513E-02 ppm1      2.347 ppm2      1.041 CV     1
 OR { 1175}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1176}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.62549E-02 ppm1      2.211 ppm2      0.866 CV     1
 OR { 1176}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 OR { 1176}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1177}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.12295E-02 ppm1      2.349 ppm2      0.793 CV     1
 OR { 1177}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 1177}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1188}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 52   and name HD2%)
      4.200     2.200     1.800 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.40362E-03 ppm1      3.099 ppm2      1.049 CV     1
 OR { 1188}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1193}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.32125E-02 ppm1      3.270 ppm2      2.063 CV     1
 OR { 1193}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 1193}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1197}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.800     0.800 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.30262E-02 ppm1      3.449 ppm2      2.173 CV     1
 OR { 1197}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1201}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.600     0.800     0.800 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.59626E-02 ppm1      3.447 ppm2      1.955 CV     1
 OR { 1201}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1206}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.300     0.700     0.700 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.70627E-02 ppm1      3.312 ppm2      1.705 CV     1
 OR { 1206}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1209}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.300     0.600     0.600 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.79940E-02 ppm1      3.291 ppm2      1.739 CV     1
 OR { 1209}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 1209}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
 OR { 1209}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 1209}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1210}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.400     0.700     0.700 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.58134E-02 ppm1      3.306 ppm2      2.028 CV     1
 OR { 1210}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1210}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1210}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1212}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.300     0.600     0.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.57665E-02 ppm1      3.363 ppm2      1.925 CV     1
 OR { 1212}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 1213}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.300     0.700     0.700 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.55681E-02 ppm1      3.329 ppm2      1.929 CV     1
 OR { 1213}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 1223}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      2.400     0.700     0.700 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.47678E-02 ppm1      1.129 ppm2      2.243 CV     1
 OR { 1223}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HG1 ))
 OR { 1223}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1226}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.600     0.800     0.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.38994E-02 ppm1      1.132 ppm2      2.017 CV     1
 OR { 1226}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1226}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
 OR { 1226}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
 OR { 1226}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1236}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.000     1.100     1.100 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.14114E-02 ppm1      1.516 ppm2      3.015 CV     1
 OR { 1236}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 37   and name HB2 ))
 OR { 1236}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1237}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.500     1.500 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.93239E-03 ppm1      1.552 ppm2      2.451 CV     1
 OR { 1237}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1239}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.400     0.700     0.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.45387E-02 ppm1      1.932 ppm2      3.337 CV     1
 OR { 1239}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD1 ))
 OR { 1239}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI { 1256}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.500     1.500 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.64585E-03 ppm1      2.052 ppm2      3.952 CV     1
 OR { 1256}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1262}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
      3.600     1.600     1.600 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.13403E-02 ppm1      1.785 ppm2      4.756 CV     1
 OR { 1262}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 1263}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.62586E-03 ppm1      1.823 ppm2      4.657 CV     1
 OR { 1263}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 1266}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 70   and name HB  ))
      3.300     1.300     1.300 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.46378E-03 ppm1      1.561 ppm2      4.657 CV     1
 OR { 1266}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 1273}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.23171E-02 ppm1      1.828 ppm2      4.385 CV     1
 OR { 1273}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1274}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.27833E-02 ppm1      1.825 ppm2      4.272 CV     1
 OR { 1274}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1275}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.000     2.000     2.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.47021E-03 ppm1      1.743 ppm2      3.909 CV     1
 OR { 1275}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 42   and name H28B))
 OR { 1275}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HA2 ))
 OR { 1275}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 42   and name H28A))
 OR { 1275}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 1275}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1284}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.70158E-03 ppm1      1.897 ppm2      7.207 CV     1
 OR { 1284}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1285}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 30   and name HZ  ))
      4.300     2.400     1.700 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.38478E-03 ppm1      1.891 ppm2      7.333 CV     1
 OR { 1285}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 30   and name HD% )
 OR { 1285}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 30   and name HZ  ))
 OR { 1285}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 1288}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.25872E-02 ppm1      1.827 ppm2      7.723 CV     1
 OR { 1288}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1294}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      3.300     1.300     1.300 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.96293E-03 ppm1      2.203 ppm2      7.207 CV     1
 OR { 1294}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1296}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.800     1.800     1.800 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.13760E-02 ppm1      1.978 ppm2      8.132 CV     1
 OR { 1296}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1311}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.700     0.900     0.900 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.35171E-02 ppm1      2.135 ppm2      1.021 CV     1
 OR { 1311}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 1311}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1311}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1316}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.100     1.100 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.16651E-02 ppm1      1.940 ppm2      8.482 CV     1
 OR { 1316}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1317}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.18135E-02 ppm1      1.875 ppm2      8.416 CV     1
 OR { 1317}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1321}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.15614E-02 ppm1      4.015 ppm2      4.651 CV     1
 OR { 1321}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HB  ))
 ASSI { 1324}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.77627E-03 ppm1      4.037 ppm2      7.212 CV     1
 OR { 1324}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1328}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG1 ))
      2.400     0.700     0.700 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.28062E-02 ppm1      4.030 ppm2      2.191 CV     1
 OR { 1328}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 1331}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HD2%)
      4.200     2.300     1.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.25122E-03 ppm1      2.794 ppm2      0.871 CV     1
 OR { 1331}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 1331}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1335}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HD1%)
      4.700     2.700     1.300 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.46932E-03 ppm1      4.029 ppm2      0.865 CV     1
 OR { 1335}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1337}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
      3.400     1.500     1.500 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.27051E-02 ppm1      4.016 ppm2      1.022 CV     1
 OR { 1337}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 1337}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1338}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.700     1.700     1.700 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.16524E-02 ppm1      4.031 ppm2      1.078 CV     1
 OR { 1338}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HG12))
 ASSI { 1342}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HD1%)
      5.400     3.700     0.600 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.19744E-03 ppm1      3.575 ppm2      0.835 CV     1
 OR { 1342}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1343}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.700     0.900     0.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      3.569 ppm2      1.021 CV     1
 OR { 1343}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 1343}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1352}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      5.200     3.300     0.800 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.17274E-03 ppm1      2.358 ppm2      8.134 CV     1
 OR { 1352}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
 OR { 1352}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1353}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      4.900     3.000     1.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.35232E-03 ppm1      2.355 ppm2      8.227 CV     1
 OR { 1353}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
 OR { 1353}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 OR { 1353}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1354}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      2.300     0.700     0.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.55873E-02 ppm1      1.895 ppm2      1.130 CV     1
 OR { 1354}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1355}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
      2.300     0.700     0.700 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.54292E-02 ppm1      1.888 ppm2      1.033 CV     1
 OR { 1355}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1357}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD1%)
      2.500     0.800     0.800 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.39107E-02 ppm1      1.878 ppm2      0.767 CV     1
 OR { 1357}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 1360}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 77   and name HD1%)
      3.200     1.300     1.300 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.17097E-02 ppm1      1.490 ppm2      0.967 CV     1
 OR { 1360}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1361}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.800     0.800 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.32644E-02 ppm1      1.195 ppm2      1.630 CV     1
 OR { 1361}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1362}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      5.000     3.100     1.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.35793E-03 ppm1      0.668 ppm2      3.889 CV     1
 OR { 1362}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1363}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.64693E-02 ppm1      1.536 ppm2      4.263 CV     1
 OR { 1363}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1366}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.60246E-02 ppm1      1.536 ppm2      8.243 CV     1
 OR { 1366}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1368}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      4.500     2.600     1.500 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.28333E-03 ppm1      1.532 ppm2      8.021 CV     1
 OR { 1368}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1376}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      3.800     1.800     1.800 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.10180E-02 ppm1      1.653 ppm2      8.028 CV     1
 OR { 1376}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 1378}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.000     0.500     0.500 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.20456E-01 ppm1      1.653 ppm2      4.260 CV     1
 OR { 1378}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1379}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.10725E-02 ppm1      1.648 ppm2      4.107 CV     1
 OR { 1379}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HA  ))
 OR { 1379}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HB1 ))
 OR { 1379}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 66   and name HA1 ))
 ASSI { 1380}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      1.655 ppm2      2.343 CV     1
 OR { 1380}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1381}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      3.800     1.800     1.800 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.14117E-02 ppm1      1.656 ppm2      2.198 CV     1
 OR { 1381}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1392}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.11613E-02 ppm1      1.618 ppm2      4.195 CV     1
 OR { 1392}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1393}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.800     1.000     1.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.42868E-02 ppm1      1.613 ppm2      4.028 CV     1
 OR { 1393}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA1 ))
 OR { 1393}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
 ASSI { 1398}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      2.900     1.100     1.100 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.45553E-02 ppm1      1.672 ppm2      2.038 CV     1
 OR { 1398}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1398}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1398}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1399}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      3.700     1.700     1.700 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.15401E-02 ppm1      1.672 ppm2      2.193 CV     1
 OR { 1399}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 OR { 1399}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 OR { 1399}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1400}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
      2.000     0.500     0.500 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.13134E-01 ppm1      1.671 ppm2      1.040 CV     1
 OR { 1400}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1401}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.50075E-02 ppm1      1.672 ppm2      1.127 CV     1
 OR { 1401}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD2%)
 OR { 1401}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1402}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
      3.100     1.200     1.200 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.40882E-02 ppm1      1.672 ppm2      0.864 CV     1
 OR { 1402}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1403}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.10052E-02 ppm1      1.674 ppm2      0.761 CV     1
 OR { 1403}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 1404}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 53   and name HA  ))
      3.000     3.000     3.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.16263E-02 ppm1      1.616 ppm2      4.094 CV     1
 OR { 1404}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 57   and name HA1 ))
 OR { 1404}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1409}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
      4.800     2.900     1.200 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.23459E-03 ppm1      1.642 ppm2      4.389 CV     1
 OR { 1409}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1429}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.76191E-03 ppm1      3.300 ppm2      7.209 CV     1
 OR { 1429}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1431}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.65303E-03 ppm1      3.302 ppm2      8.081 CV     1
 OR { 1431}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1437}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.16804E-02 ppm1      1.024 ppm2      2.128 CV     1
 OR { 1437}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
 ASSI { 1438}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
      3.200     1.200     1.200 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      1.024 ppm2      2.051 CV     1
 OR { 1438}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1444}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 38   and name HD1%)
      3.600     3.600     2.400 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.31448E-03 ppm1      1.509 ppm2      0.875 CV     1
 OR { 1444}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 14   and name HD2%)
 OR { 1444}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1445}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD2%)
      2.700     0.900     0.900 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.53908E-02 ppm1      1.535 ppm2      1.053 CV     1
 OR { 1445}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
 OR { 1445}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1446}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
      3.300     1.300     1.300 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.41765E-02 ppm1      1.534 ppm2      0.845 CV     1
 OR { 1446}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1447}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.99896E-03 ppm1      1.536 ppm2      2.321 CV     1
 OR { 1447}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
 OR { 1447}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1448}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.400     1.400     1.400 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.82881E-03 ppm1      1.535 ppm2      2.748 CV     1
 OR { 1448}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1461}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.36118E-02 ppm1      4.351 ppm2      7.812 CV     1
 OR { 1461}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1464}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA1 ))
      4.000     2.000     2.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.83453E-03 ppm1      4.352 ppm2      4.053 CV     1
 OR { 1464}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA2 ))
 OR { 1464}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1471}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      4.300     2.300     1.700 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.10437E-02 ppm1      4.312 ppm2      1.069 CV     1
 OR { 1471}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1478}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.96767E-03 ppm1      4.367 ppm2      1.070 CV     1
 OR { 1478}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1479}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      3.000     1.200     1.200 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.43406E-02 ppm1      4.375 ppm2      0.983 CV     1
 OR { 1479}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 1479}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1488}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.600     2.600     1.400 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.46477E-03 ppm1      4.313 ppm2      3.084 CV     1
 OR { 1488}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1502}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      2.700     0.900     0.900 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.36009E-02 ppm1      3.986 ppm2      0.963 CV     1
 OR { 1502}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1502}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1507}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      3.800     1.800     1.800 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.10731E-02 ppm1      4.377 ppm2      1.370 CV     1
 OR { 1507}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR { 1507}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1507}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 1508}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      2.600     0.800     0.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.40058E-02 ppm1      4.378 ppm2      1.589 CV     1
 OR { 1508}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
 OR { 1508}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1509}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.56328E-03 ppm1      4.369 ppm2      7.340 CV     1
 OR { 1509}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 79   and name HD21))
 ASSI { 1514}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.100     1.100 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.19654E-02 ppm1      4.320 ppm2      2.207 CV     1
 OR { 1514}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1543}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.100     1.200     1.200 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.17026E-02 ppm1      4.404 ppm2      1.880 CV     1
 OR { 1543}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 1558}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.200     1.300     1.300 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      3.301 ppm2      1.638 CV     1
 OR { 1558}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1567}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.500     1.500 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.89533E-03 ppm1      3.956 ppm2      8.243 CV     1
 OR { 1567}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1571}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.300     1.300 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.82721E-03 ppm1      3.958 ppm2      1.422 CV     1
 OR { 1571}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 1576}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.800     1.800     1.800 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.21096E-02 ppm1      3.958 ppm2      1.062 CV     1
 OR { 1576}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1576}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1581}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.900     1.000     1.000 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.21712E-02 ppm1      4.402 ppm2      1.117 CV     1
 OR { 1581}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1596}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.300     0.700     0.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.92151E-02 ppm1      4.484 ppm2      2.738 CV     1
 OR { 1596}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 1596}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI { 1597}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.40089E-02 ppm1      4.488 ppm2      8.711 CV     1
 OR { 1597}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1599}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.400     0.700     0.700 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.43429E-02 ppm1      3.895 ppm2      8.730 CV     1
 OR { 1599}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 OR { 1599}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1600}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.81610E-03 ppm1      3.909 ppm2      8.313 CV     1
 OR { 1600}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1602}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.000     1.100     1.100 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.15143E-02 ppm1      3.903 ppm2      8.266 CV     1
 OR { 1602}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1607}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
      3.200     1.300     1.300 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.32661E-02 ppm1      3.897 ppm2      1.686 CV     1
 OR { 1607}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1608}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.88065E-02 ppm1      3.901 ppm2      1.537 CV     1
 OR { 1608}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 1608}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1610}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      2.100     0.500     0.500 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.77899E-02 ppm1      3.896 ppm2      0.794 CV     1
 OR { 1610}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1621}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      4.300     2.300     1.700 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.10078E-02 ppm1      3.899 ppm2      1.132 CV     1
 OR { 1621}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1622}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.900     1.900     1.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.13184E-02 ppm1      3.899 ppm2      1.081 CV     1
 OR { 1622}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1622}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1628}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      3.100     1.200     1.200 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.25377E-02 ppm1      4.583 ppm2      1.517 CV     1
 OR { 1628}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
 ASSI { 1630}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.600     0.800     0.800 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.35228E-02 ppm1      4.562 ppm2      3.027 CV     1
 OR { 1630}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1633}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.13499E-02 ppm1      4.316 ppm2      0.861 CV     1
 OR { 1633}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 OR { 1633}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 OR { 1633}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1633}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 OR { 1633}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1634}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      1.900     0.500     0.500 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.15799E-01 ppm1      4.317 ppm2      1.055 CV     1
 OR { 1634}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1636}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.200     1.200 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.20981E-02 ppm1      4.320 ppm2      1.425 CV     1
 OR { 1636}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 1637}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.54625E-02 ppm1      4.315 ppm2      1.695 CV     1
 OR { 1637}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 OR { 1637}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI { 1638}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.300     0.700     0.700 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.55728E-02 ppm1      4.281 ppm2      2.036 CV     1
 OR { 1638}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 1639}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.200     0.600     0.600 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.70641E-02 ppm1      4.280 ppm2      1.908 CV     1
 OR { 1639}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
 OR { 1639}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1641}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.600     0.800     0.800 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.20046E-02 ppm1      4.323 ppm2      2.209 CV     1
 OR { 1641}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1647}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.45154E-02 ppm1      4.280 ppm2      8.008 CV     1
 OR { 1647}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 OR { 1647}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1648}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.18415E-02 ppm1      4.324 ppm2      8.422 CV     1
 OR { 1648}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1649}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.51801E-02 ppm1      4.270 ppm2      8.247 CV     1
 OR { 1649}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1649}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1650}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.200     1.200 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      4.281 ppm2      8.440 CV     1
 OR { 1650}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 OR { 1650}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1651}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.500     1.600     1.600 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.87019E-03 ppm1      4.323 ppm2      8.115 CV     1
 OR { 1651}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1652}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.91794E-02 ppm1      4.268 ppm2      2.315 CV     1
 OR { 1652}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR { 1652}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1653}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      2.300     0.700     0.700 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.10759E-01 ppm1      4.280 ppm2      0.962 CV     1
 OR { 1653}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1653}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1653}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 1653}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1656}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.23056E-02 ppm1      4.204 ppm2      7.797 CV     1
 OR { 1656}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1657}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.31099E-02 ppm1      4.241 ppm2      7.831 CV     1
 OR { 1657}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 1657}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 1657}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1659}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.000     1.000 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.25003E-02 ppm1      4.244 ppm2      8.719 CV     1
 OR { 1659}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 OR { 1659}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1660}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.100     1.200     1.200 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.36173E-02 ppm1      4.231 ppm2      2.632 CV     1
 OR { 1660}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 1661}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.600     0.800     0.800 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.44884E-02 ppm1      4.250 ppm2      2.756 CV     1
 OR { 1661}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 OR { 1661}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR { 1661}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1666}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.400     1.500     1.500 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.10839E-02 ppm1      4.203 ppm2      1.032 CV     1
 OR { 1666}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1678}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.58125E-02 ppm1      4.577 ppm2      7.799 CV     1
 OR { 1678}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1682}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      4.400     2.400     1.600 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.66349E-03 ppm1      4.106 ppm2      0.806 CV     1
 OR { 1682}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1683}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      2.600     0.900     0.900 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.39409E-02 ppm1      4.033 ppm2      1.113 CV     1
 OR { 1683}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 1695}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.400     1.400 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.80001E-03 ppm1      4.107 ppm2      8.135 CV     1
 OR { 1695}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1700}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.11626E-02 ppm1      4.249 ppm2      8.026 CV     1
 OR { 1700}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1706}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.51956E-02 ppm1      3.611 ppm2      1.531 CV     1
 OR { 1706}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
 ASSI { 1708}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      4.400     2.400     1.600 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.66447E-03 ppm1      3.610 ppm2      0.786 CV     1
 OR { 1708}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1710}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.100     1.100 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.16569E-02 ppm1      3.611 ppm2      8.725 CV     1
 OR { 1710}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1719}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.300     1.300 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.14105E-02 ppm1      4.361 ppm2      7.731 CV     1
 OR { 1719}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1729}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 59   and name HB2 ))
      2.800     1.000     1.000 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.36866E-02 ppm1      1.632 ppm2      3.745 CV     1
 OR { 1729}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1736}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.76473E-03 ppm1      3.517 ppm2      7.212 CV     1
 OR { 1736}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 1740}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.500     1.500     1.500 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.10250E-02 ppm1      3.517 ppm2      1.889 CV     1
 OR { 1740}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 1741}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.600     0.900     0.900 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.30488E-02 ppm1      3.517 ppm2      1.404 CV     1
 OR { 1741}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1742}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.41069E-02 ppm1      3.517 ppm2      1.132 CV     1
 OR { 1742}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1743}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      4.700     2.700     1.300 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.41917E-03 ppm1      3.516 ppm2      1.034 CV     1
 OR { 1743}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1743}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1743}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 OR { 1743}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1744}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.19469E-02 ppm1      3.516 ppm2      0.905 CV     1
 OR { 1744}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1745}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.300     1.400     1.400 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.11938E-02 ppm1      3.517 ppm2      0.793 CV     1
 OR { 1745}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1762}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
      3.700     1.700     1.700 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.12614E-02 ppm1      4.230 ppm2      0.989 CV     1
 OR { 1762}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1762}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1767}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 14   and name HD2%)
      2.900     1.000     1.000 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      2.203 ppm2      0.881 CV     1
 OR { 1767}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 1767}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1769}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.38754E-02 ppm1      2.048 ppm2      1.036 CV     1
 OR { 1769}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1777}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.200     1.200 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.19215E-02 ppm1      3.914 ppm2      8.238 CV     1
 OR { 1777}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1778}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.33314E-03 ppm1      3.912 ppm2      7.799 CV     1
 OR { 1778}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1782}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.45949E-03 ppm1      4.241 ppm2      8.733 CV     1
 OR { 1782}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1791}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.100     0.600     0.600 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.16635E-01 ppm1      4.382 ppm2      4.110 CV     1
 OR { 1791}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1791}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1794}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.700     1.700     1.700 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.74596E-03 ppm1      4.383 ppm2      8.124 CV     1
 OR { 1794}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1799}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.13854E-02 ppm1      4.466 ppm2      7.475 CV     1
 OR { 1799}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1806}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      2.500     0.800     0.800 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.49071E-02 ppm1      4.667 ppm2      1.063 CV     1
 OR { 1806}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1815}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.100     2.100     1.900 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.12378E-02 ppm1      4.391 ppm2      3.005 CV     1
 OR { 1815}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1818}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      4.100     2.100     1.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.13847E-02 ppm1      4.388 ppm2      6.969 CV     1
 OR { 1818}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 1821}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.80169E-03 ppm1      4.388 ppm2      7.727 CV     1
 OR { 1821}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1836}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.100     1.100 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.26578E-02 ppm1      4.106 ppm2      8.119 CV     1
 OR { 1836}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 OR { 1836}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1837}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.35825E-02 ppm1      4.149 ppm2      7.796 CV     1
 OR { 1837}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1838}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.36295E-02 ppm1      4.064 ppm2      7.796 CV     1
 OR { 1838}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1843}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.26679E-02 ppm1      4.030 ppm2      8.213 CV     1
 OR { 1843}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1847}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.35863E-02 ppm1      3.748 ppm2      8.281 CV     1
 OR { 1847}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1848}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.200     1.300     1.300 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.97171E-03 ppm1      3.749 ppm2      7.601 CV     1
 OR { 1848}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1857}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      4.000     2.000     2.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.70257E-03 ppm1      3.805 ppm2      4.668 CV     1
 OR { 1857}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1859}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      3.900     1.900     1.900 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.77753E-03 ppm1      3.755 ppm2      4.666 CV     1
 OR { 1859}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1861}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.700     2.700     1.300 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.61667E-03 ppm1      3.811 ppm2      2.057 CV     1
 OR { 1861}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1863}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.500     1.600     1.600 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.12219E-02 ppm1      3.812 ppm2      1.755 CV     1
 OR { 1863}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 1863}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 60   and name HB  ))
 ASSI { 1864}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
      4.200     2.200     1.800 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.48475E-03 ppm1      3.750 ppm2      1.843 CV     1
 OR { 1864}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
 ASSI { 1865}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.700     0.900     0.900 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.26730E-02 ppm1      3.748 ppm2      1.934 CV     1
 OR { 1865}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1872}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      4.400     2.400     1.600 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.55540E-03 ppm1      3.749 ppm2      1.061 CV     1
 OR { 1872}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1873}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      2.800     1.000     1.000 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.23594E-02 ppm1      3.750 ppm2      0.976 CV     1
 OR { 1873}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1874}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.300     0.600     0.600 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.83833E-02 ppm1      3.748 ppm2      0.867 CV     1
 OR { 1874}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1877}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.800     1.800     1.800 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.67104E-03 ppm1      4.149 ppm2      1.524 CV     1
 OR { 1877}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1878}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      4.000     2.000     2.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.70135E-03 ppm1      4.062 ppm2      1.524 CV     1
 OR { 1878}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1879}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.900     1.900     1.900 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.51961E-03 ppm1      4.148 ppm2      2.199 CV     1
 OR { 1879}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1879}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1880}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.600     1.600     1.600 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.59410E-03 ppm1      4.065 ppm2      2.202 CV     1
 OR { 1880}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1880}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1882}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
      4.100     2.100     1.900 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.35080E-03 ppm1      4.067 ppm2      1.100 CV     1
 OR { 1882}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 1914}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.200     2.200     1.800 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.37615E-03 ppm1      4.404 ppm2      2.032 CV     1
 OR { 1914}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1914}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
 OR { 1914}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 OR { 1914}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1917}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.32431E-02 ppm1      4.403 ppm2      7.701 CV     1
 OR { 1917}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 79   and name HD22))
 ASSI { 1921}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      2.700     0.900     0.900 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.37931E-02 ppm1      4.738 ppm2      1.072 CV     1
 OR { 1921}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1938}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.13073E-02 ppm1      4.631 ppm2      8.843 CV     1
 OR { 1938}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1944}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.58674E-02 ppm1      4.560 ppm2      2.701 CV     1
 OR { 1944}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 1945}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.47565E-02 ppm1      4.630 ppm2      2.049 CV     1
 OR { 1945}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1945}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1946}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.26592E-02 ppm1      4.560 ppm2      2.032 CV     1
 OR { 1946}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1946}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1946}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 1950}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     1.200     1.200 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.45533E-02 ppm1      4.760 ppm2      1.064 CV     1
 OR { 1950}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1953}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.500     0.800     0.800 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.49324E-02 ppm1      4.657 ppm2      1.022 CV     1
 OR { 1953}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1954}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG12))
      3.400     1.400     1.400 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.12304E-02 ppm1      4.650 ppm2      1.107 CV     1
 OR { 1954}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 1965}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD1 ))
      3.300     1.400     1.400 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.27695E-02 ppm1      1.043 ppm2      4.036 CV     1
 OR { 1965}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 OR { 1965}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA2 ))
 ASSI { 1973}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.900     1.000     1.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.18729E-02 ppm1      3.870 ppm2      8.861 CV     1
 OR { 1973}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1989}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.100     1.200     1.200 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      3.959 ppm2      2.197 CV     1
 OR { 1989}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1993}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.400     1.400     1.400 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.12417E-02 ppm1      3.960 ppm2      2.035 CV     1
 OR { 1993}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 1994}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      4.000     2.000     2.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.62727E-03 ppm1      3.959 ppm2      1.657 CV     1
 OR { 1994}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1998}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      3.871 ppm2      1.571 CV     1
 OR { 1998}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 1998}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2003}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.200     1.300     1.300 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.18214E-02 ppm1      3.871 ppm2      0.870 CV     1
 OR { 2003}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2004}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      3.400     1.400     1.400 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.21157E-02 ppm1      3.871 ppm2      0.795 CV     1
 OR { 2004}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2006}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.31139E-02 ppm1      4.423 ppm2      3.918 CV     1
 OR { 2006}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2017}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.75126E-03 ppm1      4.527 ppm2      8.248 CV     1
 OR { 2017}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2037}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.900     1.100     1.100 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.28086E-02 ppm1      1.124 ppm2      2.026 CV     1
 OR { 2037}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2037}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2045}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
      3.000     1.100     1.100 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.42710E-02 ppm1      2.484 ppm2      4.355 CV     1
 OR { 2045}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 2045}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 2045}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 2049}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.800     1.800 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.17851E-02 ppm1      2.455 ppm2      8.514 CV     1
 OR { 2049}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 2061}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.100     3.100     2.900 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.77284E-03 ppm1      2.607 ppm2      1.058 CV     1
 OR { 2061}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 2066}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.43360E-02 ppm1      2.801 ppm2      7.435 CV     1
 OR { 2066}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
 OR { 2066}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2075}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
      2.500     0.800     0.800 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.41146E-02 ppm1      3.454 ppm2      0.980 CV     1
 OR { 2075}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2076}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      2.700     0.900     0.900 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.30924E-02 ppm1      2.801 ppm2      0.976 CV     1
 OR { 2076}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2076}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2076}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2077}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
      3.300     1.400     1.400 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.11855E-02 ppm1      3.453 ppm2      0.880 CV     1
 OR { 2077}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2078}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
      3.100     1.200     1.200 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.12697E-02 ppm1      2.802 ppm2      0.883 CV     1
 OR { 2078}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 2078}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2079}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 38   and name HG2%)
      2.500     0.800     0.800 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.34537E-02 ppm1      2.461 ppm2      1.064 CV     1
 OR { 2079}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 2081}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG11))
      2.500     0.800     0.800 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.22605E-02 ppm1      2.460 ppm2      1.817 CV     1
 OR { 2081}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 2086}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.12690E-02 ppm1      2.458 ppm2      7.727 CV     1
 OR { 2086}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2089}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.59471E-02 ppm1      2.741 ppm2      4.515 CV     1
 OR { 2089}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 2089}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 2096}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.40423E-02 ppm1      2.684 ppm2      8.689 CV     1
 OR { 2096}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 2100}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.35796E-02 ppm1      3.008 ppm2      8.059 CV     1
 OR { 2100}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2114}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     3.400     2.600 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.10807E-02 ppm1      3.452 ppm2      8.020 CV     1
 OR { 2114}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2118}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HN  ))
      5.400     3.700     0.600 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.16157E-03 ppm1      3.453 ppm2      8.479 CV     1
 OR { 2118}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2119}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.900     3.000     1.100 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.27951E-03 ppm1      3.351 ppm2      8.483 CV     1
 OR { 2119}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2133}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     3.000     3.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.14687E-02 ppm1      3.274 ppm2      7.418 CV     1
 OR { 2133}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 64   and name HN  ))
 OR { 2133}
   (( segid "    " and resid 51   and name HD2 ))
   (  segid "    " and resid 56   and name HD% )
 ASSI { 2142}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.13764E-01 ppm1      4.073 ppm2      8.495 CV     1
 OR { 2142}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2165}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      4.100     2.100     1.900 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.72274E-03 ppm1      3.609 ppm2      6.951 CV     1
 OR { 2165}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2167}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
      4.800     2.800     1.200 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.57196E-03 ppm1      3.101 ppm2      6.938 CV     1
 OR { 2167}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
 ASSI { 2171}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.15520E-02 ppm1      3.102 ppm2      4.383 CV     1
 OR { 2171}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 2190}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD2%)
      4.800     2.900     1.200 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.29773E-03 ppm1      3.093 ppm2      0.972 CV     1
 OR { 2190}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2190}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2192}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      4.100     2.100     1.900 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.14036E-02 ppm1      2.778 ppm2      0.880 CV     1
 OR { 2192}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2193}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
      4.000     2.000     2.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.13159E-02 ppm1      2.776 ppm2      0.964 CV     1
 OR { 2193}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
 OR { 2193}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2199}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.300     1.300     1.300 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.16592E-02 ppm1      2.644 ppm2      7.828 CV     1
 OR { 2199}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2210}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.38170E-02 ppm1      1.950 ppm2      1.724 CV     1
 OR { 2210}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI { 2212}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.800     0.800 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.35720E-02 ppm1      1.948 ppm2      0.801 CV     1
 OR { 2212}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 2219}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HG  ))
      3.400     1.400     1.400 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.13544E-02 ppm1      7.443 ppm2      1.602 CV     1
 OR { 2219}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 82   and name HB2 ))
 OR { 2219}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB1 ))
 OR { 2219}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 81   and name HB% )
 ASSI { 2220}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB1 ))
      3.500     1.600     1.600 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.53058E-03 ppm1      7.440 ppm2      1.889 CV     1
 OR { 2220}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 2224}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HB2 ))
      4.200     2.200     1.800 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.73878E-03 ppm1      7.316 ppm2      2.018 CV     1
 OR { 2224}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2224}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2226}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
      2.900     1.100     1.100 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.43598E-02 ppm1      7.443 ppm2      1.015 CV     1
 OR { 2226}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
 OR { 2226}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2227}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.100     1.200     1.200 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.12232E-02 ppm1      7.443 ppm2      0.873 CV     1
 OR { 2227}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2231}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      3.800     1.800     1.800 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.47016E-03 ppm1      7.442 ppm2      4.103 CV     1
 OR { 2231}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
 OR { 2231}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 2237}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
      3.100     1.200     1.200 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.15593E-02 ppm1      7.316 ppm2      1.378 CV     1
 OR { 2237}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
 OR { 2237}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 33   and name HB2 ))
 OR { 2237}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2238}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.91569E-03 ppm1      7.315 ppm2      1.074 CV     1
 OR { 2238}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 2239}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
      3.300     1.300     1.300 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.12874E-02 ppm1      7.316 ppm2      0.887 CV     1
 OR { 2239}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2240}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
      4.300     2.300     1.700 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.51116E-03 ppm1      7.315 ppm2      0.793 CV     1
 OR { 2240}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
 OR { 2240}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2244}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
      2.700     0.900     0.900 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.46818E-02 ppm1      6.975 ppm2      1.528 CV     1
 OR { 2244}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2244}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 ASSI { 2245}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HG2 ))
      4.200     2.200     1.800 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.77256E-03 ppm1      7.317 ppm2      1.160 CV     1
 OR { 2245}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HG  ))
 ASSI { 2246}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.300     1.300 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.57084E-03 ppm1      6.973 ppm2      1.067 CV     1
 OR { 2246}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
 OR { 2246}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2246}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 43   and name HD2%)
 OR { 2246}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2248}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.400     1.500     1.500 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.10687E-02 ppm1      6.974 ppm2      0.761 CV     1
 OR { 2248}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 2256}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.700     1.700 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.53584E-03 ppm1      7.217 ppm2      1.386 CV     1
 OR { 2256}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG1 ))
 OR { 2256}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
 ASSI { 2257}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
      4.000     2.000     2.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.52435E-03 ppm1      7.219 ppm2      1.124 CV     1
 OR { 2257}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 2261}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
      3.600     1.600     1.600 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.41776E-03 ppm1      7.218 ppm2      2.028 CV     1
 OR { 2261}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2261}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2265}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      4.400     2.500     1.600 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.70243E-03 ppm1      7.122 ppm2      4.239 CV     1
 OR { 2265}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 39   and name HA1 ))
 ASSI { 2268}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      3.900     1.900     1.900 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.91935E-03 ppm1      7.127 ppm2      2.994 CV     1
 ASSI { 2269}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      3.800     1.800     1.800 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.78030E-03 ppm1      7.126 ppm2      2.787 CV     1
 OR { 2269}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HD2 ))
 ASSI { 2270}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.80925E-03 ppm1      7.130 ppm2      0.877 CV     1
 OR { 2270}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2273}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
      4.100     2.100     1.900 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.91128E-03 ppm1      6.936 ppm2      4.386 CV     1
 OR { 2273}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2276}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.500     1.600     1.600 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.52416E-03 ppm1      6.934 ppm2      0.759 CV     1
 OR { 2276}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 2278}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
      4.000     2.000     2.000 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.60935E-03 ppm1      6.933 ppm2      1.114 CV     1
 OR { 2278}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG1%)
 OR { 2278}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2280}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.400     1.500     1.500 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.66081E-03 ppm1      6.932 ppm2      0.882 CV     1
 OR { 2280}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2282}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HG  ))
      3.300     1.400     1.400 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.93324E-03 ppm1      6.820 ppm2      1.587 CV     1
 OR { 2282}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB1 ))
 OR { 2282}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2282}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 2283}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HG1 ))
      3.500     1.600     1.600 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      6.820 ppm2      1.371 CV     1
 OR { 2283}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2284}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.62127E-02 ppm1      6.820 ppm2      1.032 CV     1
 OR { 2284}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2285}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HG2 ))
      3.200     1.300     1.300 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.14707E-02 ppm1      6.820 ppm2      0.963 CV     1
 OR { 2285}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 82   and name HD2%)
 OR { 2285}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2286}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
      3.700     1.700     1.700 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.81924E-03 ppm1      6.821 ppm2      0.869 CV     1
 OR { 2286}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2288}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
      2.600     0.800     0.800 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.47269E-02 ppm1      6.742 ppm2      1.532 CV     1
 OR { 2288}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2291}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.94004E-03 ppm1      6.742 ppm2      1.075 CV     1
 OR { 2291}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 33   and name HD2%)
 OR { 2291}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
 OR { 2291}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2291}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
 OR { 2291}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2292}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.000     1.000 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.18034E-02 ppm1      6.742 ppm2      0.877 CV     1
 OR { 2292}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2294}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      4.200     2.200     1.800 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.34010E-03 ppm1      6.820 ppm2      1.891 CV     1
 OR { 2294}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 2300}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB1 ))
      3.200     1.300     1.300 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      6.821 ppm2      3.022 CV     1
 OR { 2300}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
 ASSI { 2306}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.15680E-02 ppm1      6.743 ppm2      3.901 CV     1
 OR { 2306}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2310}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      3.900     1.900     1.900 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.79302E-03 ppm1      6.743 ppm2      8.439 CV     1
 OR { 2310}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2314}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.400     1.400     1.400 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.97161E-03 ppm1      7.351 ppm2      1.386 CV     1
 OR { 2314}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2315}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.84138E-03 ppm1      7.350 ppm2      1.127 CV     1
 OR { 2315}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 2316}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.400     2.400     1.600 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.34502E-03 ppm1      7.348 ppm2      0.906 CV     1
 OR { 2316}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2329}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.100     2.100     1.900 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.46822E-03 ppm1      6.881 ppm2      2.431 CV     1
 OR { 2329}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2332}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
      4.300     2.300     1.700 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.54147E-03 ppm1      6.885 ppm2      0.762 CV     1
 OR { 2332}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 2334}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.64360E-03 ppm1      6.884 ppm2      1.090 CV     1
 OR { 2334}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2334}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2335}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.500     2.500     1.500 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.42258E-03 ppm1      6.884 ppm2      0.884 CV     1
 OR { 2335}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 OR { 2335}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2351}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.28035E-02 ppm1      1.537 ppm2      3.895 CV     1
 OR { 2351}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 2355}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.400     1.400 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.20614E-02 ppm1      1.074 ppm2      3.290 CV     1
 OR { 2355}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 2356}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      2.800     1.000     1.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.15774E-02 ppm1      1.074 ppm2      3.010 CV     1
 OR { 2356}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 2357}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H28B))
      3.400     1.500     1.500 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.55535E-03 ppm1      1.067 ppm2      3.912 CV     1
 OR { 2357}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H28A))
 OR { 2357}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2358}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.11572E-02 ppm1      3.814 ppm2      8.249 CV     1
 OR { 2358}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2452}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      3.100     3.100     2.900 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.77284E-03 ppm1      2.607 ppm2      1.058 CV     1
 OR { 2452}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 2462}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.000     1.100     1.100 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      2.261 ppm2      7.207 CV     1
 OR { 2462}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {    1}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
      3.500     1.500     1.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.11056E-02 ppm1      7.953 ppm2      1.564 CV     1
 ASSI {    5}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak     5 spectrum    1 weight  0.10000E+01 volume  0.15706E-02 ppm1      7.944 ppm2      4.223 CV     1
 ASSI {    8}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.15201E-02 ppm1      9.421 ppm2      4.524 CV     1
 ASSI {   11}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.300     0.700     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.87136E-02 ppm1      8.253 ppm2      4.060 CV     1
 OR {   11}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {   12}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.100     2.100     1.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.66691E-03 ppm1      7.735 ppm2      1.549 CV     1
 ASSI {   13}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.000     3.000     3.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.66513E-03 ppm1      7.735 ppm2      1.063 CV     1
 ASSI {   14}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.600     1.600     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.65218E-03 ppm1      7.735 ppm2      1.823 CV     1
 ASSI {   15}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.800     1.800     1.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.73545E-03 ppm1      7.735 ppm2      2.461 CV     1
 ASSI {   17}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.43481E-02 ppm1      7.735 ppm2      3.885 CV     1
 ASSI {   20}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.300     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.10081E-02 ppm1      7.735 ppm2      4.659 CV     1
 ASSI {   21}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak    21 spectrum    1 weight  0.10000E+01 volume  0.32450E-02 ppm1      7.735 ppm2      8.043 CV     1
 ASSI {   23}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.16443E-02 ppm1      7.675 ppm2      0.803 CV     1
 ASSI {   24}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD1%)
      3.300     1.300     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.14206E-02 ppm1      7.678 ppm2      0.898 CV     1
 ASSI {   27}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      3.500     1.600     1.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.42158E-03 ppm1      7.674 ppm2      1.340 CV     1
 ASSI {   28}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     2.900     3.100 peak    28 spectrum    1 weight  0.10000E+01 volume  0.75370E-03 ppm1      7.675 ppm2      1.489 CV     1
 ASSI {   29}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.400     1.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.22338E-02 ppm1      7.675 ppm2      3.089 CV     1
 ASSI {   33}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HD22))
      1.700     0.300     0.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.10702E-01 ppm1      7.333 ppm2      7.671 CV     1
 ASSI {   34}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.900     1.900     1.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.58538E-03 ppm1      7.476 ppm2      5.265 CV     1
 ASSI {   35}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.47377E-03 ppm1      7.475 ppm2      4.942 CV     1
 ASSI {   37}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.600     2.600     1.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      7.476 ppm2      4.463 CV     1
 ASSI {   39}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.800     1.800     1.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.12578E-02 ppm1      7.476 ppm2      3.015 CV     1
 ASSI {   40}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.100     1.100 peak    40 spectrum    1 weight  0.10000E+01 volume  0.10791E-02 ppm1      7.476 ppm2      2.868 CV     1
 ASSI {   41}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.300     1.400     1.400 peak    41 spectrum    1 weight  0.10000E+01 volume  0.78875E-03 ppm1      7.476 ppm2      2.639 CV     1
 ASSI {   42}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.400     1.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.39247E-02 ppm1      7.476 ppm2      2.457 CV     1
 ASSI {   43}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      7.476 ppm2      2.276 CV     1
 ASSI {   45}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      2.900     1.000     1.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.24043E-02 ppm1      7.476 ppm2      1.097 CV     1
 ASSI {   47}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD1%)
      3.100     1.200     1.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.86221E-03 ppm1      7.333 ppm2      0.899 CV     1
 ASSI {   51}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB2 ))
      3.800     1.800     1.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.77195E-03 ppm1      7.333 ppm2      1.339 CV     1
 ASSI {   52}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      2.900     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      7.333 ppm2      3.087 CV     1
 ASSI {   53}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB2 ))
      3.500     1.600     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11060E-02 ppm1      7.333 ppm2      2.771 CV     1
 ASSI {   55}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      4.600     2.600     1.400 peak    55 spectrum    1 weight  0.10000E+01 volume  0.41225E-03 ppm1      7.332 ppm2      4.381 CV     1
 ASSI {   56}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak    56 spectrum    1 weight  0.10000E+01 volume  0.15535E-02 ppm1      7.333 ppm2      9.419 CV     1
 ASSI {   57}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.000     0.500     0.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.44905E-02 ppm1      7.476 ppm2      9.170 CV     1
 ASSI {   59}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.92038E-03 ppm1      7.675 ppm2      9.420 CV     1
 ASSI {   60}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.62291E-03 ppm1      7.675 ppm2      8.884 CV     1
 ASSI {   61}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.46922E-03 ppm1      7.332 ppm2      8.882 CV     1
 ASSI {   62}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.30789E-02 ppm1      7.979 ppm2      7.494 CV     1
 ASSI {   64}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.500     1.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.87061E-03 ppm1      7.981 ppm2      4.682 CV     1
 ASSI {   65}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.80563E-03 ppm1      7.980 ppm2      4.379 CV     1
 ASSI {   67}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.97166E-02 ppm1      7.980 ppm2      4.098 CV     1
 OR {   67}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {   68}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.300     1.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.54841E-03 ppm1      7.981 ppm2      3.451 CV     1
 ASSI {   69}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.400     1.500     1.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.85958E-03 ppm1      7.980 ppm2      2.793 CV     1
 ASSI {   72}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.300     2.400     1.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.45156E-03 ppm1      8.435 ppm2      1.940 CV     1
 ASSI {   76}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.800     1.800     1.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      8.436 ppm2      3.088 CV     1
 ASSI {   77}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak    77 spectrum    1 weight  0.10000E+01 volume  0.92024E-03 ppm1      8.436 ppm2      2.771 CV     1
 ASSI {   79}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak    79 spectrum    1 weight  0.10000E+01 volume  0.10599E-02 ppm1      8.436 ppm2      4.273 CV     1
 ASSI {   80}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.300     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.91677E-02 ppm1      8.436 ppm2      4.030 CV     1
 OR {   80}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {   81}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.37207E-03 ppm1      8.436 ppm2      4.908 CV     1
 ASSI {   82}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.32296E-02 ppm1      8.436 ppm2      7.606 CV     1
 ASSI {   83}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.26083E-02 ppm1      8.436 ppm2      8.884 CV     1
 ASSI {   86}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.600     1.600     1.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19409E-02 ppm1      8.590 ppm2      4.006 CV     1
 OR {   86}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {   89}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.33548E-02 ppm1      8.086 ppm2      2.359 CV     1
 ASSI {   90}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.100     2.100     1.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13194E-02 ppm1      8.086 ppm2      1.781 CV     1
 OR {   90}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {   91}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.000     1.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      8.086 ppm2      1.638 CV     1
 ASSI {   92}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.100     2.100     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.47715E-03 ppm1      8.085 ppm2      1.187 CV     1
 ASSI {   93}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.700     1.700     1.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      8.085 ppm2      1.031 CV     1
 ASSI {   95}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.000     1.100     1.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.20614E-02 ppm1      8.086 ppm2      3.029 CV     1
 ASSI {   96}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.500     1.500     1.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.88970E-03 ppm1      8.087 ppm2      5.047 CV     1
 ASSI {   97}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.800     2.900     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.36096E-03 ppm1      8.086 ppm2      4.311 CV     1
 ASSI {   98}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.12714E-02 ppm1      7.497 ppm2      4.674 CV     1
 ASSI {   99}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA ))
      2.600     0.800     0.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.42309E-02 ppm1      7.495 ppm2      4.102 CV     1
 ASSI {  100}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.61550E-03 ppm1      7.494 ppm2      2.785 CV     1
 ASSI {  101}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.700     2.800     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.40816E-03 ppm1      7.495 ppm2      2.340 CV     1
 ASSI {  102}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.600     1.600     1.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.10755E-02 ppm1      7.495 ppm2      2.132 CV     1
 ASSI {  103}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.400     0.700     0.700 peak   103 spectrum    1 weight  0.10000E+01 volume  0.52913E-02 ppm1      7.495 ppm2      0.938 CV     1
 ASSI {  106}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      2.900     1.100     1.100 peak   106 spectrum    1 weight  0.10000E+01 volume  0.25151E-02 ppm1      7.723 ppm2      1.822 CV     1
 ASSI {  107}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.500     0.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.32371E-02 ppm1      7.723 ppm2      1.548 CV     1
 ASSI {  109}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.500     2.500     1.500 peak   109 spectrum    1 weight  0.10000E+01 volume  0.98400E-03 ppm1      7.723 ppm2      0.877 CV     1
 ASSI {  112}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.500     1.500     1.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.13008E-02 ppm1      7.723 ppm2      2.459 CV     1
 ASSI {  113}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.900     1.900     1.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.41439E-03 ppm1      7.724 ppm2      4.808 CV     1
 ASSI {  114}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   114 spectrum    1 weight  0.10000E+01 volume  0.12213E-02 ppm1      7.726 ppm2      4.658 CV     1
 ASSI {  115}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12883E-02 ppm1      7.723 ppm2      4.379 CV     1
 ASSI {  116}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      5.100     3.300     0.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.32744E-03 ppm1      7.720 ppm2      3.888 CV     1
 ASSI {  118}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak   118 spectrum    1 weight  0.10000E+01 volume  0.14127E-02 ppm1      8.035 ppm2      4.249 CV     1
 ASSI {  120}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.200     2.200     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.86517E-03 ppm1      8.035 ppm2      2.747 CV     1
 ASSI {  121}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15818E-02 ppm1      8.036 ppm2      2.496 CV     1
 ASSI {  122}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.600     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.27194E-02 ppm1      8.035 ppm2      2.355 CV     1
 OR {  122}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  123}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.900     3.000     1.100 peak   123 spectrum    1 weight  0.10000E+01 volume  0.35728E-03 ppm1      8.035 ppm2      1.897 CV     1
 ASSI {  124}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.500     2.600     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.55268E-03 ppm1      8.035 ppm2      1.637 CV     1
 ASSI {  125}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.27885E-02 ppm1      8.036 ppm2      8.968 CV     1
 ASSI {  126}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.21493E-02 ppm1      8.939 ppm2      7.790 CV     1
 ASSI {  127}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.900     0.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.34088E-02 ppm1      8.940 ppm2      4.736 CV     1
 ASSI {  128}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     1.000     1.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.36347E-02 ppm1      8.940 ppm2      4.339 CV     1
 ASSI {  129}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.37398E-02 ppm1      8.939 ppm2      4.275 CV     1
 ASSI {  130}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.300     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.50793E-02 ppm1      8.940 ppm2      3.281 CV     1
 ASSI {  131}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.500     1.500     1.500 peak   131 spectrum    1 weight  0.10000E+01 volume  0.28640E-02 ppm1      8.939 ppm2      2.840 CV     1
 ASSI {  132}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      5.000     3.100     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.36177E-03 ppm1      8.938 ppm2      1.860 CV     1
 ASSI {  134}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.600     1.600     1.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.20823E-02 ppm1      9.006 ppm2      3.039 CV     1
 ASSI {  135}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.14151E-02 ppm1      9.006 ppm2      2.702 CV     1
 ASSI {  136}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.300     1.400     1.400 peak   136 spectrum    1 weight  0.10000E+01 volume  0.20805E-02 ppm1      9.006 ppm2      1.581 CV     1
 OR {  136}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  138}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.500     2.500     1.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.46891E-03 ppm1      9.006 ppm2      1.338 CV     1
 ASSI {  139}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.200     1.300     1.300 peak   139 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      9.005 ppm2      0.651 CV     1
 OR {  139}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  141}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.56525E-03 ppm1      9.008 ppm2      4.767 CV     1
 ASSI {  142}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.300     0.600     0.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.64909E-02 ppm1      9.006 ppm2      4.529 CV     1
 ASSI {  143}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.13769E-02 ppm1      9.559 ppm2      8.451 CV     1
 ASSI {  145}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.20947E-02 ppm1      9.560 ppm2      7.545 CV     1
 ASSI {  147}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.700     2.700     1.300 peak   147 spectrum    1 weight  0.10000E+01 volume  0.42942E-03 ppm1      9.561 ppm2      4.739 CV     1
 ASSI {  149}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.700     1.700     1.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.11877E-02 ppm1      9.560 ppm2      3.608 CV     1
 ASSI {  153}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.700     0.900     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.32252E-02 ppm1      9.560 ppm2      2.265 CV     1
 ASSI {  157} 
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.200     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.25060E-02 ppm1      9.170 ppm2      2.427 CV     1
 ASSI {  158}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.61916E-02 ppm1      9.170 ppm2      4.463 CV     1
 ASSI {  159}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.400     1.400     1.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.28338E-02 ppm1      9.170 ppm2      3.015 CV     1
 ASSI {  160} 
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2  ))
      2.800     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.25060E-02 ppm1      9.170 ppm2      2.427 CV     1
 ASSI {  163}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.500     1.500     1.500 peak   163 spectrum    1 weight  0.10000E+01 volume  0.55592E-03 ppm1      9.171 ppm2      2.275 CV     1
 ASSI {  165}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.100     2.100     1.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.14835E-02 ppm1      9.170 ppm2      1.122 CV     1
 ASSI {  171}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.600     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.25765E-02 ppm1      8.861 ppm2      4.321 CV     1
 ASSI {  172}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.25485E-02 ppm1      8.862 ppm2      3.868 CV     1
 ASSI {  173}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.31302E-02 ppm1      8.861 ppm2      4.851 CV     1
 ASSI {  174}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.35346E-02 ppm1      8.862 ppm2      4.771 CV     1
 ASSI {  175}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.21536E-02 ppm1      8.862 ppm2      8.289 CV     1
 ASSI {  176}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.32627E-02 ppm1      8.617 ppm2      7.405 CV     1
 ASSI {  178}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.15652E-02 ppm1      8.617 ppm2      4.437 CV     1
 ASSI {  182}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      4.500     2.500     1.500 peak   182 spectrum    1 weight  0.10000E+01 volume  0.71284E-03 ppm1      8.618 ppm2      2.191 CV     1
 ASSI {  183}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak   183 spectrum    1 weight  0.10000E+01 volume  0.13388E-02 ppm1      8.617 ppm2      2.066 CV     1
 ASSI {  184}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.500     2.500     1.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.80817E-03 ppm1      8.617 ppm2      1.021 CV     1
 OR {  184}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  185}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      2.800     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.40250E-02 ppm1      8.488 ppm2      0.952 CV     1
 ASSI {  186}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.800     1.800     1.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.18951E-02 ppm1      8.487 ppm2      1.404 CV     1
 ASSI {  188}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.100     1.200     1.200 peak   188 spectrum    1 weight  0.10000E+01 volume  0.17576E-02 ppm1      8.487 ppm2      1.618 CV     1
 ASSI {  189}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.35947E-02 ppm1      8.487 ppm2      1.906 CV     1
 OR {  189}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI {  190}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      4.700     2.800     1.300 peak   190 spectrum    1 weight  0.10000E+01 volume  0.42927E-03 ppm1      8.487 ppm2      3.446 CV     1
 ASSI {  191}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      4.400     2.400     1.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.46329E-03 ppm1      8.488 ppm2      3.340 CV     1
 ASSI {  194}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.66569E-02 ppm1      8.487 ppm2      4.308 CV     1
 ASSI {  196}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.600     2.600     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.46472E-03 ppm1      8.488 ppm2      7.223 CV     1
 ASSI {  197}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.700     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.43288E-02 ppm1      8.489 ppm2      2.131 CV     1
 ASSI {  198}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.600     0.900     0.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.36122E-02 ppm1      8.489 ppm2      3.776 CV     1
 OR {  198}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  199}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   199 spectrum    1 weight  0.10000E+01 volume  0.10996E-02 ppm1      8.487 ppm2      4.836 CV     1
 ASSI {  202}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.37188E-02 ppm1      8.490 ppm2      1.836 CV     1
 ASSI {  204}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     3.300     2.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.34803E-03 ppm1      8.147 ppm2      2.840 CV     1
 OR {  204}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  205}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      3.300     1.300     1.300 peak   205 spectrum    1 weight  0.10000E+01 volume  0.27433E-02 ppm1      8.148 ppm2      4.225 CV     1
 ASSI {  206}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.700     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.40572E-02 ppm1      8.148 ppm2      4.074 CV     1
 OR {  206}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  208}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   208 spectrum    1 weight  0.10000E+01 volume  0.93788E-03 ppm1      7.996 ppm2      3.513 CV     1
 ASSI {  209}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
      4.800     2.900     1.200 peak   209 spectrum    1 weight  0.10000E+01 volume  0.57163E-03 ppm1      7.997 ppm2      3.328 CV     1
 ASSI {  211}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.300     2.300     1.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.45008E-03 ppm1      7.998 ppm2      2.281 CV     1
 ASSI {  216}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.300     0.700     0.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.31146E-02 ppm1      7.996 ppm2      1.953 CV     1
 ASSI {  218}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.300     1.300 peak   218 spectrum    1 weight  0.10000E+01 volume  0.11106E-02 ppm1      7.996 ppm2      4.576 CV     1
 ASSI {  219}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   219 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      7.795 ppm2      4.575 CV     1
 ASSI {  221}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.900     1.100     1.100 peak   221 spectrum    1 weight  0.10000E+01 volume  0.35208E-02 ppm1      7.795 ppm2      4.162 CV     1
 ASSI {  222}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.50511E-03 ppm1      7.795 ppm2      3.914 CV     1
 ASSI {  223}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.23075E-02 ppm1      7.798 ppm2      4.063 CV     1
 ASSI {  224}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.700     2.800     1.300 peak   224 spectrum    1 weight  0.10000E+01 volume  0.48222E-03 ppm1      7.794 ppm2      2.623 CV     1
 ASSI {  225}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.200     2.200     1.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.54489E-03 ppm1      7.795 ppm2      2.397 CV     1
 ASSI {  226}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.600     1.600     1.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.17921E-02 ppm1      7.795 ppm2      2.265 CV     1
 ASSI {  227}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.100     1.200     1.200 peak   227 spectrum    1 weight  0.10000E+01 volume  0.11788E-02 ppm1      7.794 ppm2      2.138 CV     1
 ASSI {  228}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.200     2.200     1.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.80165E-03 ppm1      7.795 ppm2      1.535 CV     1
 ASSI {  230}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.300     2.400     1.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.50009E-03 ppm1      7.798 ppm2      1.051 CV     1
 ASSI {  231}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2% ))
      2.800     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.38343E-03 ppm1      7.281 ppm2      2.078 CV     1
 ASSI {  232}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1% ))
      2.800     0.800     0.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.38343E-03 ppm1      7.281 ppm2      2.078 CV     1
 ASSI {  233}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB ))
      3.200     0.800     0.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.38343E-03 ppm1      7.281 ppm2      2.078 CV     1
 ASSI {  234}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.200     2.200     1.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.38343E-03 ppm1      7.281 ppm2      2.078 CV     1
 ASSI {  235}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.58439E-03 ppm1      7.279 ppm2      1.852 CV     1
 ASSI {  236}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.800     2.800     1.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.38420E-03 ppm1      7.279 ppm2      1.747 CV     1
 OR {  236}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  238}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.400     1.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.77050E-03 ppm1      7.281 ppm2      4.622 CV     1
 ASSI {  239}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.77050E-03 ppm1      7.281 ppm2      4.622 CV     1
 ASSI {  240}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.800     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.23585E-02 ppm1      7.499 ppm2      1.852 CV     1
 ASSI {  241}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.500     0.800     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.23585E-02 ppm1      7.499 ppm2      1.852 CV     1
 ASSI {  242}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.900     1.000     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.21456E-02 ppm1      7.497 ppm2      1.763 CV     1
 OR {  242}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  243}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.800     1.800     1.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.69455E-03 ppm1      7.491 ppm2      1.216 CV     1
 ASSI {  245}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2  ))
      3.500     2.300     1.700 peak   245 spectrum    1 weight  0.10000E+01 volume  0.38504E-03 ppm1      7.506 ppm2      3.979 CV     1
 ASSI {  246}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.300     2.300     1.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.38504E-03 ppm1      7.506 ppm2      3.979 CV     1
 ASSI {  247}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA1  ))
      4.300     2.300     1.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.38504E-03 ppm1      7.506 ppm2      3.979 CV     1
 ASSI {  248}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.200     1.200     1.200 peak   248 spectrum    1 weight  0.10000E+01 volume  0.11884E-02 ppm1      7.501 ppm2      4.620 CV     1
 ASSI {  249}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      4.600     2.700     1.400 peak   249 spectrum    1 weight  0.10000E+01 volume  0.47818E-03 ppm1      8.215 ppm2      1.575 CV     1
 ASSI {  250}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.63661E-03 ppm1      8.215 ppm2      1.444 CV     1
 ASSI {  251}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.800     1.800     1.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.70731E-03 ppm1      8.215 ppm2      1.221 CV     1
 ASSI {  252}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.700     2.700     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.31723E-03 ppm1      8.216 ppm2      1.080 CV     1
 ASSI {  253}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      5.200     3.400     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.31577E-03 ppm1      8.215 ppm2      0.795 CV     1
 ASSI {  254}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.600     2.700     1.400 peak   254 spectrum    1 weight  0.10000E+01 volume  0.52941E-03 ppm1      8.215 ppm2      0.695 CV     1
 ASSI {  255}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.900     1.900     1.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.60095E-03 ppm1      8.215 ppm2      4.714 CV     1
 ASSI {  257}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.800     1.000     1.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.36658E-02 ppm1      8.214 ppm2      4.001 CV     1
 OR {  257}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  258}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.24536E-02 ppm1      7.996 ppm2      8.848 CV     1
 ASSI {  259}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.900     1.900     1.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.87375E-03 ppm1      7.837 ppm2      1.860 CV     1
 ASSI {  260}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
      2.600     0.800     0.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.20039E-02 ppm1      7.838 ppm2      1.612 CV     1
 OR {  260}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  263}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      2.900     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.26697E-02 ppm1      7.837 ppm2      2.642 CV     1
 ASSI {  264}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      2.600     0.900     0.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.52458E-02 ppm1      7.837 ppm2      2.468 CV     1
 OR {  264}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  265}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.20978E-02 ppm1      7.837 ppm2      2.275 CV     1
 ASSI {  266}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.68643E-03 ppm1      7.837 ppm2      3.606 CV     1
 ASSI {  267}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      5.200     3.300     0.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.33864E-03 ppm1      7.838 ppm2      3.013 CV     1
 ASSI {  268}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.26062E-02 ppm1      7.837 ppm2      4.237 CV     1
 ASSI {  269}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.500     1.600     1.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.16270E-02 ppm1      7.755 ppm2      2.519 CV     1
 ASSI {  270}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.39140E-02 ppm1      7.755 ppm2      2.128 CV     1
 ASSI {  271}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.39140E-02 ppm1      7.755 ppm2      2.128 CV     1
 ASSI {  272}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB% ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.39140E-02 ppm1      7.755 ppm2      1.608 CV     1
 ASSI {  273}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.700     1.700     1.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.14479E-02 ppm1      7.754 ppm2      2.471 CV     1
 ASSI {  274}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.34626E-02 ppm1      7.755 ppm2      4.384 CV     1
 ASSI {  278}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   278 spectrum    1 weight  0.10000E+01 volume  0.15088E-02 ppm1      7.540 ppm2      4.810 CV     1
 ASSI {  281}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.23524E-02 ppm1      7.535 ppm2      1.027 CV     1
 ASSI {  283}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.200     1.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.31175E-02 ppm1      7.546 ppm2      3.090 CV     1
 ASSI {  284}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.22054E-02 ppm1      7.545 ppm2      2.995 CV     1
 ASSI {  285}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      3.300     1.400     1.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      7.546 ppm2      2.480 CV     1
 OR {  285}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI {  290}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      3.300     1.400     1.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.37625E-02 ppm1      7.534 ppm2      1.189 CV     1
 ASSI {  291}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.000     2.000     2.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.13295E-02 ppm1      7.534 ppm2      0.785 CV     1
 ASSI {  294}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.38753E-02 ppm1      7.534 ppm2      1.637 CV     1
 ASSI {  295}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.700     2.800     1.300 peak   295 spectrum    1 weight  0.10000E+01 volume  0.41520E-03 ppm1      7.534 ppm2      2.014 CV     1
 ASSI {  298}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.400     2.400     1.600 peak   298 spectrum    1 weight  0.10000E+01 volume  0.62601E-03 ppm1      7.407 ppm2      1.391 CV     1
 ASSI {  299}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.700     0.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.52599E-02 ppm1      7.408 ppm2      1.016 CV     1
 OR {  299}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  300}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.48058E-02 ppm1      7.407 ppm2      2.213 CV     1
 ASSI {  301}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.600     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.13521E-02 ppm1      7.407 ppm2      2.068 CV     1
 ASSI {  302}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.700     1.800     1.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.77627E-03 ppm1      7.407 ppm2      2.821 CV     1
 ASSI {  303}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.200     1.300     1.300 peak   303 spectrum    1 weight  0.10000E+01 volume  0.75553E-03 ppm1      7.407 ppm2      2.749 CV     1
 ASSI {  309}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.42271E-02 ppm1      7.407 ppm2      8.248 CV     1
 ASSI {  310}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.000     3.100     1.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.28573E-03 ppm1      7.407 ppm2      8.823 CV     1
 ASSI {  312}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.46289E-02 ppm1      7.222 ppm2      8.087 CV     1
 ASSI {  313}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.700     1.700     1.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.63037E-03 ppm1      7.222 ppm2      5.045 CV     1
 ASSI {  314}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.700     1.700     1.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.58660E-03 ppm1      7.221 ppm2      4.754 CV     1
 ASSI {  316}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.23045E-02 ppm1      7.222 ppm2      4.308 CV     1
 ASSI {  317}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.800     1.800     1.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.67859E-03 ppm1      7.222 ppm2      4.032 CV     1
 ASSI {  321}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.000     2.000     2.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.67250E-03 ppm1      7.221 ppm2      2.357 CV     1
 ASSI {  323}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.600     2.700     1.400 peak   323 spectrum    1 weight  0.10000E+01 volume  0.30427E-03 ppm1      7.221 ppm2      2.012 CV     1
 ASSI {  324}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.200     0.600     0.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.84945E-02 ppm1      7.221 ppm2      1.780 CV     1
 OR {  324}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  325}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.24882E-02 ppm1      7.222 ppm2      1.401 CV     1
 ASSI {  336}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.47382E-02 ppm1      7.703 ppm2      2.436 CV     1
 ASSI {  340}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.30946E-02 ppm1      7.702 ppm2      8.420 CV     1
 ASSI {  347}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.400     0.700     0.700 peak   347 spectrum    1 weight  0.10000E+01 volume  0.42632E-02 ppm1      8.128 ppm2      2.198 CV     1
 ASSI {  351}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.100     2.100     1.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.79738E-03 ppm1      8.133 ppm2      1.527 CV     1
 ASSI {  354}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.100     2.100     1.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.11838E-02 ppm1      8.325 ppm2      1.116 CV     1
 ASSI {  355}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.100     2.100     1.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.65472E-03 ppm1      8.327 ppm2      1.657 CV     1
 ASSI {  359}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.500     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.14989E-02 ppm1      8.324 ppm2      2.205 CV     1
 ASSI {  360}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.500     2.500     1.500 peak   360 spectrum    1 weight  0.10000E+01 volume  0.46922E-03 ppm1      8.325 ppm2      2.456 CV     1
 ASSI {  361}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.800     2.900     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.40370E-03 ppm1      8.326 ppm2      2.600 CV     1
 ASSI {  362}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.25999E-02 ppm1      8.325 ppm2      4.419 CV     1
 ASSI {  366}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.24523E-02 ppm1      8.325 ppm2      8.739 CV     1
 ASSI {  371}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.25825E-02 ppm1      8.421 ppm2      1.420 CV     1
 ASSI {  372}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.500     0.800     0.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.50755E-02 ppm1      8.421 ppm2      1.994 CV     1
 ASSI {  375}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.77889E-03 ppm1      8.421 ppm2      3.516 CV     1
 ASSI {  380}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.27478E-02 ppm1      8.852 ppm2      8.078 CV     1
 ASSI {  381}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.300     1.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.13152E-02 ppm1      8.852 ppm2      7.342 CV     1
 ASSI {  384}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   384 spectrum    1 weight  0.10000E+01 volume  0.10338E-02 ppm1      8.851 ppm2      4.624 CV     1
 ASSI {  385}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.500     1.500 peak   385 spectrum    1 weight  0.10000E+01 volume  0.76473E-03 ppm1      8.852 ppm2      4.219 CV     1
 ASSI {  386}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.300     2.300     1.700 peak   386 spectrum    1 weight  0.10000E+01 volume  0.30980E-03 ppm1      8.850 ppm2      3.871 CV     1
 ASSI {  387}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.22728E-02 ppm1      8.852 ppm2      3.515 CV     1
 ASSI {  388}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
      4.800     2.900     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.50234E-03 ppm1      8.852 ppm2      3.213 CV     1
 OR {  388}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  390}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.24883E-02 ppm1      8.853 ppm2      2.347 CV     1
 ASSI {  391}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.300     0.600     0.600 peak   391 spectrum    1 weight  0.10000E+01 volume  0.65575E-02 ppm1      8.852 ppm2      2.047 CV     1
 OR {  391}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  392}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.900     1.900     1.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.56887E-03 ppm1      8.851 ppm2      1.895 CV     1
 ASSI {  393}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.13359E-02 ppm1      8.852 ppm2      1.567 CV     1
 ASSI {  404}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.300     1.400     1.400 peak   404 spectrum    1 weight  0.10000E+01 volume  0.35920E-02 ppm1      8.970 ppm2      2.348 CV     1
 ASSI {  405}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.300     1.400     1.400 peak   405 spectrum    1 weight  0.10000E+01 volume  0.20412E-02 ppm1      8.970 ppm2      2.247 CV     1
 ASSI {  406}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.500     2.600     1.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.49568E-03 ppm1      8.968 ppm2      2.044 CV     1
 ASSI {  407}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.500     0.800     0.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.24630E-02 ppm1      8.970 ppm2      2.748 CV     1
 ASSI {  410}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.300     2.300     1.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.36073E-03 ppm1      8.971 ppm2      3.953 CV     1
 ASSI {  412}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.22249E-02 ppm1      8.970 ppm2      8.419 CV     1
 ASSI {  413}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.15189E-02 ppm1      9.017 ppm2      7.834 CV     1
 ASSI {  415}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.200     1.300     1.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.77294E-03 ppm1      9.017 ppm2      4.625 CV     1
 ASSI {  418}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      4.100     2.100     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.71486E-03 ppm1      9.017 ppm2      4.033 CV     1
 ASSI {  419}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.20928E-02 ppm1      9.016 ppm2      3.608 CV     1
 ASSI {  420}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD1 ))
      5.500     3.800     0.500 peak   420 spectrum    1 weight  0.10000E+01 volume  0.23788E-03 ppm1      9.015 ppm2      3.491 CV     1
 ASSI {  421}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.12039E-02 ppm1      9.017 ppm2      3.297 CV     1
 ASSI {  422}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.800     2.900     1.200 peak   422 spectrum    1 weight  0.10000E+01 volume  0.41739E-03 ppm1      9.013 ppm2      3.013 CV     1
 ASSI {  423}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.400     1.500     1.500 peak   423 spectrum    1 weight  0.10000E+01 volume  0.41686E-03 ppm1      9.013 ppm2      2.786 CV     1
 ASSI {  425}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.800     1.800     1.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.13183E-02 ppm1      9.017 ppm2      2.245 CV     1
 OR {  425}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  426}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.15157E-02 ppm1      9.017 ppm2      2.018 CV     1
 ASSI {  427}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.500     0.800     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.26046E-02 ppm1      9.017 ppm2      1.863 CV     1
 ASSI {  428}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
      3.200     1.300     1.300 peak   428 spectrum    1 weight  0.10000E+01 volume  0.32901E-02 ppm1      9.017 ppm2      1.618 CV     1
 OR {  428}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  429}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.400     0.700     0.700 peak   429 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      9.017 ppm2      1.538 CV     1
 ASSI {  431}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.600     2.700     1.400 peak   431 spectrum    1 weight  0.10000E+01 volume  0.49240E-03 ppm1      9.015 ppm2      0.786 CV     1
 ASSI {  433}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.100     1.200     1.200 peak   433 spectrum    1 weight  0.10000E+01 volume  0.11999E-02 ppm1      9.017 ppm2      0.446 CV     1
 ASSI {  434}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.20643E-02 ppm1      8.742 ppm2      1.117 CV     1
 ASSI {  435}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      2.900     1.100     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.13593E-02 ppm1      8.743 ppm2      0.852 CV     1
 ASSI {  436}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.100     2.100     1.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.12485E-02 ppm1      8.742 ppm2      0.809 CV     1
 ASSI {  439}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.42569E-02 ppm1      8.742 ppm2      1.544 CV     1
 ASSI {  440}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.40263E-02 ppm1      8.743 ppm2      2.197 CV     1
 ASSI {  442}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.25546E-02 ppm1      8.742 ppm2      2.432 CV     1
 ASSI {  443}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      4.800     2.900     1.200 peak   443 spectrum    1 weight  0.10000E+01 volume  0.40730E-03 ppm1      8.744 ppm2      2.766 CV     1
 ASSI {  444}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.900     0.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.23714E-02 ppm1      8.742 ppm2      3.891 CV     1
 ASSI {  446}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.300     1.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.97884E-03 ppm1      8.742 ppm2      3.607 CV     1
 ASSI {  447}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.300     1.300     1.300 peak   447 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      8.743 ppm2      4.286 CV     1
 ASSI {  448}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.30096E-02 ppm1      8.742 ppm2      7.705 CV     1
 ASSI {  452}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.100     1.200     1.200 peak   452 spectrum    1 weight  0.10000E+01 volume  0.56516E-02 ppm1      8.510 ppm2      1.045 CV     1
 ASSI {  464}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.31198E-03 ppm1      8.510 ppm2      3.509 CV     1
 ASSI {  473}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.400     2.400     1.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.73451E-03 ppm1      8.437 ppm2      0.365 CV     1
 ASSI {  475}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.600     2.600     1.400 peak   475 spectrum    1 weight  0.10000E+01 volume  0.86390E-03 ppm1      8.437 ppm2      0.200 CV     1
 ASSI {  477}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.23548E-02 ppm1      8.436 ppm2      1.366 CV     1
 ASSI {  478}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.800     1.000     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.42733E-02 ppm1      8.436 ppm2      1.608 CV     1
 ASSI {  479}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      5.000     3.100     1.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.23992E-03 ppm1      8.439 ppm2      1.854 CV     1
 ASSI {  481}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.24743E-02 ppm1      8.437 ppm2      3.903 CV     1
 ASSI {  486}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.300     2.300     1.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.10549E-02 ppm1      8.100 ppm2      0.982 CV     1
 ASSI {  487}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.100     2.100     1.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.11441E-02 ppm1      8.100 ppm2      1.355 CV     1
 ASSI {  488}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.400     0.700     0.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.41689E-02 ppm1      8.099 ppm2      1.892 CV     1
 ASSI {  493}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.600     1.600     1.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.89726E-03 ppm1      8.084 ppm2      0.649 CV     1
 OR {  493}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  496}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.41963E-02 ppm1      8.085 ppm2      2.346 CV     1
 ASSI {  497}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.20047E-02 ppm1      8.084 ppm2      2.705 CV     1
 ASSI {  500}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21101E-02 ppm1      8.060 ppm2      2.784 CV     1
 ASSI {  504}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.000     2.000     2.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.48513E-03 ppm1      7.974 ppm2      4.437 CV     1
 ASSI {  506}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
      3.300     1.400     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.67677E-03 ppm1      7.973 ppm2      4.027 CV     1
 OR {  506}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
 ASSI {  507}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.17599E-02 ppm1      7.973 ppm2      2.014 CV     1
 ASSI {  509}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
      2.200     0.600     0.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.10641E-01 ppm1      7.973 ppm2      1.608 CV     1
 ASSI {  510}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.900     1.900     1.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.11370E-02 ppm1      7.973 ppm2      0.981 CV     1
 OR {  510}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  512}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.30684E-02 ppm1      7.915 ppm2      3.039 CV     1
 ASSI {  516}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      4.700     2.800     1.300 peak   516 spectrum    1 weight  0.10000E+01 volume  0.41218E-03 ppm1      7.916 ppm2      0.653 CV     1
 OR {  516}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  517}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      5.100     3.200     0.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.28753E-03 ppm1      7.915 ppm2      2.339 CV     1
 ASSI {  519}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.300     2.300     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.29611E-03 ppm1      7.914 ppm2      3.871 CV     1
 ASSI {  520}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.20709E-02 ppm1      7.915 ppm2      4.557 CV     1
 ASSI {  521}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   521 spectrum    1 weight  0.10000E+01 volume  0.14572E-02 ppm1      7.915 ppm2      4.628 CV     1
 ASSI {  524}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   524 spectrum    1 weight  0.10000E+01 volume  0.12546E-02 ppm1      7.812 ppm2      4.575 CV     1
 ASSI {  525}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.43834E-02 ppm1      7.812 ppm2      4.347 CV     1
 ASSI {  526}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.400     1.500     1.500 peak   526 spectrum    1 weight  0.10000E+01 volume  0.15721E-02 ppm1      7.811 ppm2      4.152 CV     1
 ASSI {  528}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.86080E-03 ppm1      7.811 ppm2      3.912 CV     1
 ASSI {  531}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.600     0.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.93024E-02 ppm1      7.812 ppm2      1.538 CV     1
 ASSI {  534}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.700     1.700     1.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.18787E-02 ppm1      8.010 ppm2      0.963 CV     1
 OR {  534}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  537}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.100     1.200     1.200 peak   537 spectrum    1 weight  0.10000E+01 volume  0.50614E-02 ppm1      8.010 ppm2      2.038 CV     1
 ASSI {  539}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      2.600     0.800     0.800 peak   539 spectrum    1 weight  0.10000E+01 volume  0.22453E-02 ppm1      8.010 ppm2      1.833 CV     1
 ASSI {  540}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.300     2.300     1.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.40969E-03 ppm1      8.010 ppm2      2.176 CV     1
 ASSI {  541}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.500     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.34243E-02 ppm1      8.006 ppm2      2.769 CV     1
 ASSI {  543}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak   543 spectrum    1 weight  0.10000E+01 volume  0.78846E-03 ppm1      8.010 ppm2      4.483 CV     1
 ASSI {  545}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.47518E-02 ppm1      8.074 ppm2      7.531 CV     1
 ASSI {  547}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.39613E-02 ppm1      8.074 ppm2      4.848 CV     1
 ASSI {  548}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.21621E-02 ppm1      8.077 ppm2      4.760 CV     1
 ASSI {  550}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.100     1.200     1.200 peak   550 spectrum    1 weight  0.10000E+01 volume  0.39944E-02 ppm1      8.248 ppm2      0.998 CV     1
 OR {  550}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  551}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB%  ))
      2.800     0.800     0.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.28706E-02 ppm1      8.248 ppm2      2.213 CV     1
 ASSI {  552}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.600     0.800     0.800 peak   552 spectrum    1 weight  0.10000E+01 volume  0.28706E-02 ppm1      8.248 ppm2      2.213 CV     1
 ASSI {  553}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.800     0.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.28706E-02 ppm1      8.248 ppm2      2.213 CV     1
 ASSI {  554}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.500     1.500 peak   554 spectrum    1 weight  0.10000E+01 volume  0.10263E-02 ppm1      8.249 ppm2      3.818 CV     1
 ASSI {  555}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.58533E-03 ppm1      8.248 ppm2      4.466 CV     1
 ASSI {  557}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     1.600     1.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.58533E-03 ppm1      8.248 ppm2      4.466 CV     1
 ASSI {  558}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak   558 spectrum    1 weight  0.10000E+01 volume  0.46365E-02 ppm1      8.506 ppm2      2.830 CV     1
 OR {  558}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  559}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.87591E-03 ppm1      8.507 ppm2      1.239 CV     1
 ASSI {  560}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.14682E-02 ppm1      8.506 ppm2      4.731 CV     1
 ASSI {  562}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.400     1.400     1.400 peak   562 spectrum    1 weight  0.10000E+01 volume  0.15533E-02 ppm1      8.507 ppm2      4.376 CV     1
 ASSI {  565}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.700     1.800     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.11167E-02 ppm1      8.824 ppm2      2.078 CV     1
 ASSI {  566}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.600     1.600     1.600 peak   566 spectrum    1 weight  0.10000E+01 volume  0.14111E-02 ppm1      8.825 ppm2      2.544 CV     1
 ASSI {  568}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.700     0.900     0.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.31571E-02 ppm1      8.826 ppm2      2.823 CV     1
 ASSI {  573}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.600     2.700     1.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.58711E-03 ppm1      8.745 ppm2      1.654 CV     1
 ASSI {  578}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.800     2.900     1.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.36562E-03 ppm1      8.745 ppm2      0.854 CV     1
 ASSI {  581}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.700     0.900     0.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.22254E-02 ppm1      8.744 ppm2      4.422 CV     1
 ASSI {  584}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.000     1.100     1.100 peak   584 spectrum    1 weight  0.10000E+01 volume  0.34076E-02 ppm1      8.690 ppm2      2.898 CV     1
 ASSI {  585}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.39548E-02 ppm1      8.690 ppm2      2.672 CV     1
 ASSI {  586}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.900     1.000     1.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.37234E-02 ppm1      8.690 ppm2      4.238 CV     1
 ASSI {  587}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.500     0.800     0.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.59959E-02 ppm1      8.690 ppm2      3.880 CV     1
 ASSI {  588}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.200     1.300     1.300 peak   588 spectrum    1 weight  0.10000E+01 volume  0.12425E-02 ppm1      8.688 ppm2      4.849 CV     1
 ASSI {  591}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.200     2.200     1.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.30845E-03 ppm1      8.619 ppm2      1.067 CV     1
 ASSI {  592}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.300     2.300     1.700 peak   592 spectrum    1 weight  0.10000E+01 volume  0.24713E-03 ppm1      8.620 ppm2      0.705 CV     1
 ASSI {  593}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.900     1.100     1.100 peak   593 spectrum    1 weight  0.10000E+01 volume  0.33940E-02 ppm1      8.619 ppm2      2.888 CV     1
 ASSI {  594}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.32016E-02 ppm1      8.619 ppm2      2.754 CV     1
 ASSI {  597}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.300     0.700     0.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.76646E-02 ppm1      8.619 ppm2      4.336 CV     1
 ASSI {  602}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   602 spectrum    1 weight  0.10000E+01 volume  0.12442E-02 ppm1      8.619 ppm2      8.147 CV     1
 ASSI {  604}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   604 spectrum    1 weight  0.10000E+01 volume  0.30073E-02 ppm1      8.481 ppm2      1.444 CV     1
 ASSI {  605}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.18341E-02 ppm1      8.479 ppm2      1.223 CV     1
 ASSI {  607}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.500     2.500     1.500 peak   607 spectrum    1 weight  0.10000E+01 volume  0.85316E-03 ppm1      8.482 ppm2      0.799 CV     1
 ASSI {  609}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.800     1.800     1.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.76041E-03 ppm1      8.480 ppm2      2.891 CV     1
 ASSI {  615}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.600     1.600 peak   615 spectrum    1 weight  0.10000E+01 volume  0.64979E-03 ppm1      8.453 ppm2      4.943 CV     1
 ASSI {  618}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.800     1.800     1.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.14869E-02 ppm1      8.452 ppm2      3.608 CV     1
 ASSI {  621}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.25719E-02 ppm1      8.452 ppm2      3.097 CV     1
 ASSI {  623}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     1.100     1.100 peak   623 spectrum    1 weight  0.10000E+01 volume  0.10793E-02 ppm1      8.453 ppm2      2.167 CV     1
 ASSI {  625}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.700     2.800     1.300 peak   625 spectrum    1 weight  0.10000E+01 volume  0.68465E-03 ppm1      8.454 ppm2      1.926 CV     1
 ASSI {  626}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.800     1.800     1.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.14562E-02 ppm1      8.454 ppm2      1.622 CV     1
 ASSI {  628}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.900     3.000     1.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.63769E-03 ppm1      8.139 ppm2      1.038 CV     1
 ASSI {  629}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.200     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.84509E-02 ppm1      8.139 ppm2      1.519 CV     1
 ASSI {  630}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.39542E-02 ppm1      8.139 ppm2      1.857 CV     1
 ASSI {  631}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      3.700     1.700     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.19111E-02 ppm1      8.137 ppm2      1.767 CV     1
 ASSI {  633}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.500     1.500 peak   633 spectrum    1 weight  0.10000E+01 volume  0.44699E-03 ppm1      8.140 ppm2      2.836 CV     1
 ASSI {  634}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      5.200     3.400     0.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.25773E-03 ppm1      8.140 ppm2      3.285 CV     1
 ASSI {  637}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak   637 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      7.994 ppm2      4.735 CV     1
 ASSI {  638}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   638 spectrum    1 weight  0.10000E+01 volume  0.68709E-02 ppm1      7.994 ppm2      4.579 CV     1
 ASSI {  639}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.800     1.800     1.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.14070E-02 ppm1      7.993 ppm2      3.282 CV     1
 ASSI {  640}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.64280E-03 ppm1      7.993 ppm2      3.004 CV     1
 ASSI {  641}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.600     0.900     0.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.35691E-02 ppm1      7.994 ppm2      1.516 CV     1
 ASSI {  643}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.700     1.800     1.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.81061E-03 ppm1      7.831 ppm2      2.273 CV     1
 ASSI {  644}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.100     2.100     1.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.87244E-03 ppm1      7.832 ppm2      2.128 CV     1
 ASSI {  645}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
      2.600     0.800     0.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.59659E-02 ppm1      7.829 ppm2      1.573 CV     1
 ASSI {  646}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 82   and name HD2% )
      5.200     0.800     2.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.59659E-02 ppm1      7.829 ppm2      1.573 CV     1
 ASSI {  649}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.12314E-02 ppm1      7.793 ppm2      1.043 CV     1
 ASSI {  651}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.200     0.600     0.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.64416E-02 ppm1      7.793 ppm2      1.866 CV     1
 ASSI {  652}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      2.500     0.800     0.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.30293E-02 ppm1      7.791 ppm2      1.763 CV     1
 ASSI {  653}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.700     1.700     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.50394E-03 ppm1      7.793 ppm2      2.839 CV     1
 ASSI {  654}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.500     1.600     1.600 peak   654 spectrum    1 weight  0.10000E+01 volume  0.57445E-03 ppm1      7.792 ppm2      3.284 CV     1
 ASSI {  660}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.42363E-02 ppm1      7.607 ppm2      8.295 CV     1
 ASSI {  661}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      4.900     3.000     1.100 peak   661 spectrum    1 weight  0.10000E+01 volume  0.48442E-03 ppm1      7.608 ppm2      4.247 CV     1
 ASSI {  662}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.800     1.000     1.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.29912E-02 ppm1      7.607 ppm2      4.030 CV     1
 OR {  662}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  663}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.99713E-03 ppm1      7.608 ppm2      3.747 CV     1
 ASSI {  664}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.300     2.300     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.54639E-03 ppm1      7.607 ppm2      2.011 CV     1
 ASSI {  666}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.200     0.600     0.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.81061E-02 ppm1      7.607 ppm2      1.625 CV     1
 ASSI {  669}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      2.600     0.800     0.800 peak   669 spectrum    1 weight  0.10000E+01 volume  0.24574E-02 ppm1      8.245 ppm2      2.809 CV     1
 ASSI {  670}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.400     1.400     1.400 peak   670 spectrum    1 weight  0.10000E+01 volume  0.29785E-02 ppm1      8.233 ppm2      2.626 CV     1
 ASSI {  675}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.800     0.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.32087E-02 ppm1      8.234 ppm2      2.153 CV     1
 ASSI {  677}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.400     1.500     1.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.35065E-02 ppm1      8.282 ppm2      1.724 CV     1
 ASSI {  680}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      2.400     0.700     0.700 peak   680 spectrum    1 weight  0.10000E+01 volume  0.20332E-02 ppm1      8.281 ppm2      1.295 CV     1
 ASSI {  682}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.200     1.200     1.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.42099E-02 ppm1      8.292 ppm2      0.982 CV     1
 ASSI {  685}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     0.700     0.700 peak   685 spectrum    1 weight  0.10000E+01 volume  0.43277E-02 ppm1      8.235 ppm2      2.384 CV     1
 ASSI {  688}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak   688 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 ASSI {  691}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.400     0.700     0.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.64285E-02 ppm1      8.288 ppm2      2.718 CV     1
 OR {  691}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  696}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.800     0.800 peak   696 spectrum    1 weight  0.10000E+01 volume  0.34718E-02 ppm1      8.293 ppm2      4.229 CV     1
 ASSI {  700}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     0.800     0.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.12991E-02 ppm1      8.289 ppm2      4.871 CV     1
 ASSI {  701}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.200     1.300     1.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.12991E-02 ppm1      8.289 ppm2      4.871 CV     1
 ASSI {  705}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     1.400     1.400 peak   705 spectrum    1 weight  0.10000E+01 volume  0.13200E-02 ppm1      8.503 ppm2      2.830 CV     1
 OR {  705}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  706}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.000     2.000     2.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.44942E-03 ppm1      8.502 ppm2      1.256 CV     1
 ASSI {  707}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.400     0.700     0.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.74878E-02 ppm1      8.504 ppm2      4.075 CV     1
 OR {  707}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  709}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   709 spectrum    1 weight  0.10000E+01 volume  0.22030E-02 ppm1      8.503 ppm2      4.730 CV     1
 ASSI {  710}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.400     2.400     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.47119E-03 ppm1      8.504 ppm2      4.367 CV     1
 ASSI {  712}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.28142E-02 ppm1      8.082 ppm2      4.219 CV     1
 ASSI {  714}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.31995E-02 ppm1      9.420 ppm2      1.339 CV     1
 ASSI {  716}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      2.900     1.100     1.100 peak   716 spectrum    1 weight  0.10000E+01 volume  0.16290E-02 ppm1      9.420 ppm2      0.882 CV     1
 ASSI {  717}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      3.800     1.800     1.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.12028E-02 ppm1      9.420 ppm2      0.647 CV     1
 OR {  717}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  719}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      2.900     1.100     1.100 peak   719 spectrum    1 weight  0.10000E+01 volume  0.12876E-02 ppm1      9.419 ppm2      1.712 CV     1
 ASSI {  724}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.900     1.900     1.900 peak   724 spectrum    1 weight  0.10000E+01 volume  0.72865E-03 ppm1      8.254 ppm2      2.399 CV     1
 ASSI {  725}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.500     1.500     1.500 peak   725 spectrum    1 weight  0.10000E+01 volume  0.12707E-02 ppm1      8.254 ppm2      2.235 CV     1
 ASSI {  729}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.63318E-02 ppm1      8.254 ppm2      4.483 CV     1
 ASSI {  732}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.500     0.800     0.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.28300E-02 ppm1      8.156 ppm2      2.794 CV     1
 ASSI {  733}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.800     1.000     1.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13097E-02 ppm1      8.156 ppm2      1.891 CV     1
 ASSI {  734}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.700     1.700     1.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.19353E-02 ppm1      8.156 ppm2      1.608 CV     1
 ASSI {  735}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.100     2.100     1.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.55629E-03 ppm1      8.157 ppm2      1.357 CV     1
 ASSI {  737}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.81943E-03 ppm1      8.155 ppm2      4.334 CV     1
 ASSI {  757}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HD1 ))
      3.400     1.400     1.400 peak   757 spectrum    1 weight  0.10000E+01 volume  0.73724E-03 ppm1      9.002 ppm2      3.498 CV     1
 ASSI {  758}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HD2 ))
      3.100     1.200     1.200 peak   758 spectrum    1 weight  0.10000E+01 volume  0.13244E-02 ppm1      9.002 ppm2      3.022 CV     1
 ASSI {  759}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      5.100     3.300     0.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.96120E-04 ppm1      9.010 ppm2      1.857 CV     1
 ASSI {  760}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.300     1.300     1.300 peak   760 spectrum    1 weight  0.10000E+01 volume  0.78373E-03 ppm1      9.003 ppm2      1.608 CV     1
 ASSI {  762}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD2 ))
      3.000     1.100     1.100 peak   762 spectrum    1 weight  0.10000E+01 volume  0.13474E-02 ppm1      7.246 ppm2      3.197 CV     1
 OR {  762}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  763}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.700     1.700     1.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.49404E-03 ppm1      7.248 ppm2      2.046 CV     1
 OR {  763}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  764}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.200     2.200     1.800 peak   764 spectrum    1 weight  0.10000E+01 volume  0.47856E-03 ppm1      7.251 ppm2      1.407 CV     1
 ASSI {  765}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.300     1.400     1.400 peak   765 spectrum    1 weight  0.10000E+01 volume  0.60058E-03 ppm1      7.251 ppm2      1.136 CV     1
 ASSI {  767}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      4.600     2.600     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.34347E-03 ppm1      7.246 ppm2      4.297 CV     1
 ASSI {  768}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.400     2.400     1.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.20456E-03 ppm1      7.518 ppm2      2.042 CV     1
 OR {  768}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  775}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.900     1.100     1.100 peak   775 spectrum    1 weight  0.10000E+01 volume  0.20470E-02 ppm1      8.712 ppm2      1.543 CV     1
 ASSI {  777}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      5.500     3.700     0.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.33090E-03 ppm1      8.711 ppm2      2.036 CV     1
 ASSI {  779}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.400     0.700     0.700 peak   779 spectrum    1 weight  0.10000E+01 volume  0.56638E-02 ppm1      8.711 ppm2      2.757 CV     1
 OR {  779}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  780}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   780 spectrum    1 weight  0.10000E+01 volume  0.93375E-03 ppm1      8.711 ppm2      3.889 CV     1
 ASSI {  781}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.58547E-03 ppm1      8.712 ppm2      3.606 CV     1
 ASSI {  782}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.100     1.100 peak   782 spectrum    1 weight  0.10000E+01 volume  0.23238E-02 ppm1      8.711 ppm2      4.486 CV     1
 ASSI {  786}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.31950E-02 ppm1      8.886 ppm2      1.944 CV     1
 ASSI {  789}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      4.600     2.700     1.400 peak   789 spectrum    1 weight  0.10000E+01 volume  0.47973E-03 ppm1      8.885 ppm2      1.300 CV     1
 ASSI {  792}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.800     2.900     1.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.26652E-03 ppm1      8.884 ppm2      0.636 CV     1
 OR {  792}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  794}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.600     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.22461E-02 ppm1      8.886 ppm2      2.773 CV     1
 ASSI {  795}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.300     1.300 peak   795 spectrum    1 weight  0.10000E+01 volume  0.33456E-02 ppm1      8.886 ppm2      3.089 CV     1
 ASSI {  796}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      4.800     2.800     1.200 peak   796 spectrum    1 weight  0.10000E+01 volume  0.57337E-03 ppm1      8.885 ppm2      4.029 CV     1
 OR {  796}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  797}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak   797 spectrum    1 weight  0.10000E+01 volume  0.46922E-03 ppm1      8.888 ppm2      3.887 CV     1
 ASSI {  798}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   798 spectrum    1 weight  0.10000E+01 volume  0.76764E-03 ppm1      8.887 ppm2      3.748 CV     1
 ASSI {  799}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak   799 spectrum    1 weight  0.10000E+01 volume  0.97260E-03 ppm1      8.887 ppm2      4.912 CV     1
 ASSI {  802}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      4.100     2.100     1.900 peak   802 spectrum    1 weight  0.10000E+01 volume  0.16838E-02 ppm1      8.156 ppm2      0.956 CV     1
 ASSI {  803}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      3.200     1.300     1.300 peak   803 spectrum    1 weight  0.10000E+01 volume  0.47856E-02 ppm1      8.155 ppm2      1.694 CV     1
 ASSI {  804}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.47251E-02 ppm1      8.155 ppm2      1.614 CV     1
 ASSI {  805}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     1.100     1.100 peak   805 spectrum    1 weight  0.10000E+01 volume  0.23910E-02 ppm1      8.160 ppm2      1.480 CV     1
 ASSI {  807}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.400     2.400     1.600 peak   807 spectrum    1 weight  0.10000E+01 volume  0.10946E-02 ppm1      8.158 ppm2      0.910 CV     1
 ASSI {  808}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
      3.200     1.300     1.300 peak   808 spectrum    1 weight  0.10000E+01 volume  0.10504E-02 ppm1      8.228 ppm2      1.105 CV     1
 ASSI {  809}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      3.900     1.900     1.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.86310E-03 ppm1      8.225 ppm2      1.036 CV     1
 ASSI {  810}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.700     2.700     1.300 peak   810 spectrum    1 weight  0.10000E+01 volume  0.60208E-03 ppm1      8.230 ppm2      0.847 CV     1
 ASSI {  811}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB  ))
      3.100     1.200     1.200 peak   811 spectrum    1 weight  0.10000E+01 volume  0.22377E-02 ppm1      8.230 ppm2      1.798 CV     1
 ASSI {  812}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG11))
      3.100     1.200     1.200 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11107E-02 ppm1      8.227 ppm2      1.492 CV     1
 ASSI {  813}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.700     1.700     1.700 peak   813 spectrum    1 weight  0.10000E+01 volume  0.41142E-03 ppm1      8.227 ppm2      2.326 CV     1
 ASSI {  814}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      4.200     2.200     1.800 peak   814 spectrum    1 weight  0.10000E+01 volume  0.99544E-03 ppm1      8.227 ppm2      3.777 CV     1
 OR {  814}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  815}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.600     0.800     0.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.33098E-02 ppm1      8.227 ppm2      4.844 CV     1
 ASSI {  816}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.300     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.82065E-03 ppm1      8.223 ppm2      4.660 CV     1
 ASSI {  817}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.31734E-02 ppm1      7.994 ppm2      2.841 CV     1
 ASSI {  818}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.400     2.400     1.600 peak   818 spectrum    1 weight  0.10000E+01 volume  0.40429E-03 ppm1      8.712 ppm2      2.446 CV     1
 ASSI {  819}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.36659E-02 ppm1      8.712 ppm2      2.197 CV     1
 ASSI {  820}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      5.000     3.100     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.20797E-03 ppm1      7.832 ppm2      2.532 CV     1
 ASSI {  823}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      5.000     3.100     1.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.25879E-03 ppm1      7.831 ppm2      2.473 CV     1
 ASSI {  827}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.25879E-03 ppm1      7.831 ppm2      2.473 CV     1
 ASSI {  827}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HA2  ))
      5.300     0.800     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.25879E-03 ppm1      7.831 ppm2      2.473 CV     1
 OR  {  827}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HA1  ))
 ASSI {  829}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 60   and name HB  ))
      5.300     0.800     0.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.25879E-03 ppm1      7.831 ppm2      2.473 CV     1
 ASSI {  830}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HB2  ))
      5.000     0.800     0.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.25879E-03 ppm1      7.831 ppm2      2.473 CV     1
 ASSI {  833}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.500     0.800     1.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.25879E-03 ppm1      7.831 ppm2      2.473 CV     1
 ASSI {  834}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG12  ))
      3.200     0.800     1.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.25879E-03 ppm1      7.831 ppm2      2.473 CV     1
 ASSI {  835}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 65   and name HB%  ))
      5.200     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.25879E-03 ppm1      7.831 ppm2      2.473 CV     1






 ASSI {    1}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.000     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.38835E-02 ppm1      2.792 ppm2      4.030 CV     1
 ASSI {    5}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA ))
      2.400     0.700     0.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.36664E-02 ppm1      0.199 ppm2      3.897 CV     1
 ASSI {    9}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.500     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.45981E-02 ppm1      4.361 ppm2      9.560 CV     1
 ASSI {   11}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.35347E-02 ppm1      4.258 ppm2      7.732 CV     1
 ASSI {   20}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.55221E-02 ppm1      4.249 ppm2      2.029 CV     1
 OR {   20}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI {   26}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HG11))
      1.600     0.300     0.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.11098E-01 ppm1      1.295 ppm2      1.726 CV     1
 ASSI {   35}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 74   and name HD2%)
      2.900     1.100     1.100 peak    35 spectrum    1 weight  0.10000E+01 volume  0.12340E-02 ppm1      1.294 ppm2      1.065 CV     1
 ASSI {   54}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      4.100     2.100     1.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.53767E-03 ppm1      1.603 ppm2      7.830 CV     1
 ASSI {   65}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.21817E-02 ppm1      1.863 ppm2      9.024 CV     1
 OR {   65}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HE  ))
 ASSI {   66}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HE  ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.17885E-02 ppm1      1.602 ppm2      9.026 CV     1
 OR {   66}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {   68}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.39356E-02 ppm1      1.608 ppm2      8.114 CV     1
 ASSI {   70}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
      2.900     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.20322E-02 ppm1      2.052 ppm2      7.324 CV     1
 OR {   70}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 OR {   70}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI {   73}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.37025E-02 ppm1      2.274 ppm2      7.751 CV     1
 ASSI {   74}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.37025E-02 ppm1      2.274 ppm2      7.751 CV     1
 ASSI {   77}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.400     0.700     0.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.33545E-02 ppm1      2.276 ppm2      7.811 CV     1
 ASSI {   78}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.87178E-03 ppm1      2.140 ppm2      7.545 CV     1
 ASSI {   80}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.28348E-02 ppm1      2.141 ppm2      8.229 CV     1
 ASSI {   81}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.23896E-02 ppm1      2.235 ppm2      8.498 CV     1
 ASSI {   84}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.200     1.200 peak    84 spectrum    1 weight  0.10000E+01 volume  0.30340E-02 ppm1      2.347 ppm2      8.515 CV     1
 ASSI {   85}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.28953E-02 ppm1      2.211 ppm2      8.517 CV     1
 ASSI {   87}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.300     1.300 peak    87 spectrum    1 weight  0.10000E+01 volume  0.10715E-02 ppm1      2.345 ppm2      8.323 CV     1
 ASSI {   89}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     1.700     1.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.17086E-02 ppm1      2.469 ppm2      7.831 CV     1
 ASSI {   90}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      3.900     1.900     1.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.88670E-03 ppm1      2.470 ppm2      7.704 CV     1
 ASSI {   93}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak    93 spectrum    1 weight  0.10000E+01 volume  0.11550E-02 ppm1      2.363 ppm2      8.041 CV     1
 ASSI {   94}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.21043E-02 ppm1      2.495 ppm2      8.961 CV     1
 ASSI {   95}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      2.362 ppm2      8.962 CV     1
 ASSI {   97}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.28167E-02 ppm1      2.130 ppm2      9.557 CV     1
 ASSI {   99}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.44237E-02 ppm1      2.135 ppm2      4.384 CV     1
 ASSI {  101}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.50216E-02 ppm1      2.268 ppm2      4.383 CV     1
 ASSI {  108}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.17211E-02 ppm1      2.467 ppm2      4.232 CV     1
 ASSI {  111}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     0.900     0.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.41499E-02 ppm1      2.348 ppm2      4.234 CV     1
 ASSI {  113}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.21805E-02 ppm1      2.210 ppm2      4.309 CV     1
 ASSI {  114}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.35920E-02 ppm1      2.210 ppm2      4.227 CV     1
 ASSI {  115}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.100     1.100 peak   115 spectrum    1 weight  0.10000E+01 volume  0.42287E-02 ppm1      2.495 ppm2      2.745 CV     1
 ASSI {  116}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.37906E-02 ppm1      2.367 ppm2      2.745 CV     1
 ASSI {  117}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.000     0.500     0.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.11805E-01 ppm1      2.492 ppm2      2.343 CV     1
 ASSI {  120}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.700     0.900     0.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.42055E-02 ppm1      2.347 ppm2      2.597 CV     1
 ASSI {  125}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.97105E-03 ppm1      1.604 ppm2      3.605 CV     1
 ASSI {  128}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      4.000     2.000     2.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.48048E-03 ppm1      1.603 ppm2      3.490 CV     1
 ASSI {  134}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.35182E-02 ppm1      1.896 ppm2      1.347 CV     1
 ASSI {  135}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.500     0.800     0.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.45475E-02 ppm1      1.604 ppm2      1.348 CV     1
 ASSI {  137}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.26101E-02 ppm1      1.894 ppm2      0.980 CV     1
 ASSI {  139}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.700     0.900     0.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.35663E-02 ppm1      1.597 ppm2      0.981 CV     1
 ASSI {  141}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.13267E-02 ppm1      1.606 ppm2      4.313 CV     1
 ASSI {  142}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.99230E-03 ppm1      1.895 ppm2      4.315 CV     1
 ASSI {  143}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.400     1.400     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.74638E-03 ppm1      1.894 ppm2      7.436 CV     1
 ASSI {  144}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.300     2.300     1.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.84471E-03 ppm1      1.605 ppm2      7.437 CV     1
 ASSI {  145}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.000     1.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.22760E-02 ppm1      2.045 ppm2      8.129 CV     1
 ASSI {  150}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.52008E-02 ppm1      2.275 ppm2      4.219 CV     1
 ASSI {  151}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.22716E-02 ppm1      2.199 ppm2      4.239 CV     1
 ASSI {  163}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.700     0.900     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.33367E-02 ppm1      2.466 ppm2      2.637 CV     1
 ASSI {  164}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.300     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.52866E-02 ppm1      2.273 ppm2      2.630 CV     1
 ASSI {  165}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      1.800     0.400     0.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.81741E-02 ppm1      2.469 ppm2      2.276 CV     1
 ASSI {  168}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.17924E-02 ppm1      2.049 ppm2      4.619 CV     1
 OR {  168}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  170}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.700     0.900     0.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.26425E-02 ppm1      2.143 ppm2      2.622 CV     1
 ASSI {  172}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.900     0.500     0.500 peak   172 spectrum    1 weight  0.10000E+01 volume  0.49873E-02 ppm1      1.862 ppm2      2.167 CV     1
 ASSI {  173}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.26174E-02 ppm1      1.864 ppm2      1.511 CV     1
 ASSI {  174}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.600     0.900     0.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.25583E-02 ppm1      2.176 ppm2      1.623 CV     1
 ASSI {  176}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.300     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.77275E-03 ppm1      1.865 ppm2      3.340 CV     1
 ASSI {  180}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak   180 spectrum    1 weight  0.10000E+01 volume  0.74090E-03 ppm1      1.863 ppm2      7.545 CV     1
 ASSI {  181}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.64810E-03 ppm1      2.168 ppm2      7.548 CV     1
 ASSI {  184}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.800     1.800     1.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.64360E-03 ppm1      1.863 ppm2      4.732 CV     1
 ASSI {  186}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1  ))
      2.800     0.800     0.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.89712E-03 ppm1      1.865 ppm2      3.808 CV     1
 OR {  186}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2  ))
 ASSI {  187}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak   187 spectrum    1 weight  0.10000E+01 volume  0.89712E-03 ppm1      1.865 ppm2      3.808 CV     1
 ASSI {  188}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     0.800     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.89712E-03 ppm1      1.865 ppm2      3.808 CV     1
 ASSI {  190}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     0.800     0.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.89712E-03 ppm1      1.865 ppm2      3.808 CV     1
 ASSI {  197}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak   197 spectrum    1 weight  0.10000E+01 volume  0.19854E-02 ppm1      2.760 ppm2      8.245 CV     1
 ASSI {  199}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.700     1.700     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.82590E-03 ppm1      2.544 ppm2      8.612 CV     1
 ASSI {  200}
   (( segid "    " and resid 64   and name HB ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.800     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.82590E-03 ppm1      2.544 ppm2      8.612 CV     1
 ASSI {  201}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.600     1.600     1.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.78335E-03 ppm1      2.262 ppm2      7.318 CV     1
 OR {  201}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  204}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1  ))
      2.800     0.800     0.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.89712E-03 ppm1      1.865 ppm2      3.808 CV     1
 OR {  186}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2  ))
 ASSI {  205}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.100     1.200     1.200 peak   205 spectrum    1 weight  0.10000E+01 volume  0.13635E-02 ppm1      2.057 ppm2      3.564 CV     1
 ASSI {  210}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.28621E-02 ppm1      2.220 ppm2      3.808 CV     1
 ASSI {  213}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   213 spectrum    1 weight  0.10000E+01 volume  0.30925E-02 ppm1      2.274 ppm2      3.911 CV     1
 ASSI {  214}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.20767E-02 ppm1      2.261 ppm2      3.294 CV     1
 ASSI {  218}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.25761E-02 ppm1      2.332 ppm2      8.249 CV     1
 OR {  218}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  219}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.13688E-02 ppm1      2.334 ppm2      8.505 CV     1
 OR {  219}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  226}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      4.100     2.100     1.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.17173E-02 ppm1      2.544 ppm2      1.022 CV     1
 OR {  226}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  228}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
      2.100     0.500     0.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.12264E-01 ppm1      2.223 ppm2      1.014 CV     1
 OR {  228}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  229}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.200     0.600     0.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.91916E-02 ppm1      2.274 ppm2      1.108 CV     1
 ASSI {  231}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.100     1.200     1.200 peak   231 spectrum    1 weight  0.10000E+01 volume  0.14664E-02 ppm1      2.256 ppm2      1.346 CV     1
 ASSI {  233}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak   233 spectrum    1 weight  0.10000E+01 volume  0.14476E-02 ppm1      2.079 ppm2      7.502 CV     1
 ASSI {  235}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
      2.100     0.500     0.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.73095E-02 ppm1      2.412 ppm2      1.129 CV     1
 ASSI {  237}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.94046E-03 ppm1      2.412 ppm2      7.474 CV     1
 ASSI {  238}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.600     1.700     1.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.10986E-02 ppm1      2.413 ppm2      7.280 CV     1
 ASSI {  240}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.93694E-03 ppm1      2.544 ppm2      3.564 CV     1
 ASSI {  241}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.100     2.100     1.900 peak   241 spectrum    1 weight  0.10000E+01 volume  0.87211E-03 ppm1      2.542 ppm2      4.011 CV     1
 ASSI {  242}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.600     1.400 peak   242 spectrum    1 weight  0.10000E+01 volume  0.74901E-03 ppm1      2.545 ppm2      7.402 CV     1
 ASSI {  244}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.000     0.500     0.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.14553E-01 ppm1      2.544 ppm2      2.138 CV     1
 OR {  244}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  246}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      3.300     1.400     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.14062E-02 ppm1      2.846 ppm2      2.203 CV     1
 ASSI {  247}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.100     2.100     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.10411E-02 ppm1      2.755 ppm2      2.199 CV     1
 ASSI {  248}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.200     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.75670E-02 ppm1      2.760 ppm2      2.318 CV     1
 OR {  248}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  250}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.300     0.600     0.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.83918E-02 ppm1      1.864 ppm2      1.750 CV     1
 OR {  283}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  250}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.200     0.600     0.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.91574E-02 ppm1      2.080 ppm2      1.757 CV     1
 OR {  250}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  252}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.900     0.500     0.500 peak   252 spectrum    1 weight  0.10000E+01 volume  0.58088E-02 ppm1      2.027 ppm2      2.245 CV     1
 OR {  252}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  253}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.700     0.300     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.11726E-01 ppm1      2.058 ppm2      2.542 CV     1
 ASSI {  254}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.800     0.400     0.400 peak   254 spectrum    1 weight  0.10000E+01 volume  0.55395E-02 ppm1      2.261 ppm2      2.018 CV     1
 ASSI {  255}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      3.000     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.85607E-03 ppm1      2.218 ppm2      3.566 CV     1
 ASSI {  256}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      4.600     2.600     1.400 peak   256 spectrum    1 weight  0.10000E+01 volume  0.73240E-03 ppm1      2.075 ppm2      3.807 CV     1
 ASSI {  265}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.800     2.900     1.200 peak   265 spectrum    1 weight  0.10000E+01 volume  0.63351E-03 ppm1      2.314 ppm2      8.031 CV     1
 ASSI {  268}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.500     2.500     1.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.81009E-03 ppm1      2.313 ppm2      4.270 CV     1
 ASSI {  269}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HG1 ))
      1.800     0.400     0.400 peak   269 spectrum    1 weight  0.10000E+01 volume  0.84260E-02 ppm1      2.312 ppm2      2.746 CV     1
 ASSI {  272}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 81   and name HB% )
      2.300     0.700     0.700 peak   272 spectrum    1 weight  0.10000E+01 volume  0.29660E-02 ppm1      2.136 ppm2      1.624 CV     1
 ASSI {  273}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      1.800     0.400     0.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.12724E-01 ppm1      2.136 ppm2      0.950 CV     1
 OR {  273}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  274}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 58   and name HG1%)
      4.500     2.600     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.99662E-03 ppm1      2.750 ppm2      0.914 CV     1
 ASSI {  277}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 58   and name HG1%)
      4.000     2.000     2.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.12258E-02 ppm1      2.315 ppm2      0.924 CV     1
 ASSI {  280}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
      4.200     2.200     1.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.55911E-03 ppm1      2.411 ppm2      0.956 CV     1
 ASSI {  281}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 74   and name HD1%)
      4.600     2.600     1.400 peak   281 spectrum    1 weight  0.10000E+01 volume  0.37956E-03 ppm1      2.411 ppm2      1.021 CV     1
 ASSI {  282}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      4.300     2.300     1.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.11542E-02 ppm1      2.255 ppm2      0.444 CV     1
 ASSI {  283}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.300     0.600     0.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.83918E-02 ppm1      1.864 ppm2      1.750 CV     1
 OR {  283}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  284}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      1.700     0.300     0.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.14716E-01 ppm1      1.864 ppm2      2.074 CV     1
 ASSI {  286}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak   286 spectrum    1 weight  0.10000E+01 volume  0.19340E-02 ppm1      0.851 ppm2      3.747 CV     1
 ASSI {  290}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.800     0.800 peak   290 spectrum    1 weight  0.10000E+01 volume  0.34184E-02 ppm1      0.880 ppm2      4.382 CV     1
 ASSI {  294}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.100     1.200     1.200 peak   294 spectrum    1 weight  0.10000E+01 volume  0.75502E-03 ppm1      0.881 ppm2      7.316 CV     1
 ASSI {  295}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.600     0.900     0.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.23267E-02 ppm1      0.879 ppm2      7.122 CV     1
 ASSI {  297}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.12983E-02 ppm1      0.879 ppm2      6.736 CV     1
 ASSI {  299}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.500     1.600     1.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.14722E-02 ppm1      0.800 ppm2      8.281 CV     1
 ASSI {  302}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.100     2.100     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.86475E-03 ppm1      0.878 ppm2      3.002 CV     1
 ASSI {  305}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.500     1.500     1.500 peak   305 spectrum    1 weight  0.10000E+01 volume  0.96575E-03 ppm1      0.800 ppm2      2.751 CV     1
 ASSI {  306}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   306 spectrum    1 weight  0.10000E+01 volume  0.55423E-02 ppm1      0.879 ppm2      2.453 CV     1
 ASSI {  307}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.400     1.400     1.400 peak   307 spectrum    1 weight  0.10000E+01 volume  0.11163E-02 ppm1      0.798 ppm2      2.313 CV     1
 ASSI {  308}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.22319E-02 ppm1      0.799 ppm2      2.217 CV     1
 ASSI {  311}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.000     0.500     0.500 peak   311 spectrum    1 weight  0.10000E+01 volume  0.10572E-01 ppm1      0.799 ppm2      1.716 CV     1
 ASSI {  314}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.100     0.500     0.500 peak   314 spectrum    1 weight  0.10000E+01 volume  0.83031E-02 ppm1      0.798 ppm2      1.290 CV     1
 ASSI {  331}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.27209E-02 ppm1      0.666 ppm2      4.529 CV     1
 ASSI {  335}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.94970E-03 ppm1      0.665 ppm2      7.436 CV     1
 ASSI {  336}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      3.000     1.100     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.17092E-02 ppm1      0.666 ppm2      6.812 CV     1
 ASSI {  337}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      3.700     1.700     1.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.73104E-03 ppm1      0.666 ppm2      8.088 CV     1
 ASSI {  340}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      3.800     1.900     1.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.11668E-02 ppm1      0.665 ppm2      9.420 CV     1
 ASSI {  341}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.16234E-02 ppm1      0.665 ppm2      8.999 CV     1
 ASSI {  344}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.19026E-02 ppm1      0.666 ppm2      2.701 CV     1
 ASSI {  345}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      3.200     1.300     1.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.16943E-02 ppm1      0.666 ppm2      3.037 CV     1
 ASSI {  350}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.30022E-02 ppm1      0.619 ppm2      1.338 CV     1
 OR {  350}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  356}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.200     0.600     0.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.83481E-02 ppm1      0.619 ppm2      1.573 CV     1
 OR {  356}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
 OR {  356}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  356}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  369}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.000     3.000     3.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.28574E-02 ppm1      0.863 ppm2      8.418 CV     1
 ASSI {  377}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.500     3.500     2.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.37975E-02 ppm1      0.863 ppm2      3.948 CV     1
 ASSI {  379}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.400     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.22900E-02 ppm1      0.865 ppm2      4.314 CV     1
 ASSI {  380}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   380 spectrum    1 weight  0.10000E+01 volume  0.83636E-03 ppm1      0.803 ppm2      3.513 CV     1
 ASSI {  381}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.17757E-02 ppm1      0.906 ppm2      3.513 CV     1
 ASSI {  384}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      2.800     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.22339E-02 ppm1      0.905 ppm2      6.919 CV     1
 OR {  384}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  385}
   (( segid "    " and resid 55   and name HG2 ))
   (  segid "    " and resid 56   and name HE% )
      3.500     1.500     1.500 peak   385 spectrum    1 weight  0.10000E+01 volume  0.52078E-03 ppm1      0.971 ppm2      6.813 CV     1
 ASSI {  387}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.700     0.900     0.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.23144E-02 ppm1      0.904 ppm2      7.207 CV     1
 ASSI {  389}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.300     2.300     1.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.10326E-02 ppm1      0.963 ppm2      8.111 CV     1
 ASSI {  391}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.900     1.900     1.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.74854E-03 ppm1      0.804 ppm2      7.315 CV     1
 OR {  391}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  392}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak   392 spectrum    1 weight  0.10000E+01 volume  0.38799E-03 ppm1      0.803 ppm2      7.203 CV     1
 ASSI {  394}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      3.600     1.600     1.600 peak   394 spectrum    1 weight  0.10000E+01 volume  0.91748E-03 ppm1      0.803 ppm2      6.735 CV     1
 ASSI {  395}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.600     1.600 peak   395 spectrum    1 weight  0.10000E+01 volume  0.68648E-03 ppm1      0.805 ppm2      3.913 CV     1
 ASSI {  396}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.24667E-02 ppm1      0.801 ppm2      1.997 CV     1
 ASSI {  397}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
      2.000     0.500     0.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.14016E-01 ppm1      0.802 ppm2      1.576 CV     1
 ASSI {  398}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.200     0.600     0.600 peak   398 spectrum    1 weight  0.10000E+01 volume  0.87887E-02 ppm1      0.801 ppm2      1.430 CV     1
 ASSI {  399}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak   399 spectrum    1 weight  0.10000E+01 volume  0.56047E-02 ppm1      0.800 ppm2      1.221 CV     1
 ASSI {  400}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 15   and name HG2%)
      2.300     0.700     0.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.64008E-02 ppm1      0.800 ppm2      1.112 CV     1
 ASSI {  401}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.800     0.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.39410E-02 ppm1      0.982 ppm2      2.430 CV     1
 ASSI {  402}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      3.600     1.600     1.600 peak   402 spectrum    1 weight  0.10000E+01 volume  0.13502E-02 ppm1      0.877 ppm2      2.314 CV     1
 ASSI {  405}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.700     0.900     0.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.30068E-02 ppm1      0.972 ppm2      3.021 CV     1
 ASSI {  406}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.600     1.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.10644E-02 ppm1      0.983 ppm2      3.947 CV     1
 ASSI {  409}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.33446E-02 ppm1      0.987 ppm2      4.373 CV     1
 ASSI {  410}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.13354E-02 ppm1      0.986 ppm2      4.901 CV     1
 ASSI {  411}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.900     2.900     3.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.30142E-02 ppm1      0.983 ppm2      6.888 CV     1
 ASSI {  412}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.68497E-03 ppm1      0.988 ppm2      7.435 CV     1
 ASSI {  414}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      4.200     2.200     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.11747E-02 ppm1      0.987 ppm2      8.294 CV     1
 ASSI {  416}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak   416 spectrum    1 weight  0.10000E+01 volume  0.16188E-02 ppm1      0.989 ppm2      9.420 CV     1
 ASSI {  420}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      3.100     1.200     1.200 peak   420 spectrum    1 weight  0.10000E+01 volume  0.86475E-03 ppm1      1.346 ppm2      7.314 CV     1
 ASSI {  426}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.400     0.700     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.34821E-02 ppm1      1.400 ppm2      3.191 CV     1
 OR {  426}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  429}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   429 spectrum    1 weight  0.10000E+01 volume  0.46979E-03 ppm1      1.350 ppm2      3.294 CV     1
 ASSI {  431}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG1 ))
      1.900     0.500     0.500 peak   431 spectrum    1 weight  0.10000E+01 volume  0.60142E-02 ppm1      1.344 ppm2      2.203 CV     1
 OR {  431}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  432}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   432 spectrum    1 weight  0.10000E+01 volume  0.17360E-02 ppm1      1.146 ppm2      3.515 CV     1
 ASSI {  433}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.700     0.900     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.26471E-02 ppm1      1.146 ppm2      3.190 CV     1
 OR {  433}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  435}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.11566E-02 ppm1      1.115 ppm2      4.651 CV     1
 ASSI {  436}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
      3.200     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.29147E-02 ppm1      1.073 ppm2      4.755 CV     1
 ASSI {  437}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      1.072 ppm2      4.313 CV     1
 ASSI {  440}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak   440 spectrum    1 weight  0.10000E+01 volume  0.57328E-03 ppm1      1.073 ppm2      7.316 CV     1
 ASSI {  445}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.11684E-02 ppm1      0.967 ppm2      8.007 CV     1
 ASSI {  447}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 79   and name HD22))
      4.000     2.000     2.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.66391E-03 ppm1      0.957 ppm2      7.672 CV     1
 ASSI {  448}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      4.300     2.300     1.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.64458E-03 ppm1      0.955 ppm2      7.328 CV     1
 ASSI {  450}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      4.200     2.300     1.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.89214E-03 ppm1      1.014 ppm2      7.791 CV     1
 OR {  450}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  451}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.500     1.500 peak   451 spectrum    1 weight  0.10000E+01 volume  0.11702E-02 ppm1      0.993 ppm2      7.436 CV     1
 ASSI {  452}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.300     1.400     1.400 peak   452 spectrum    1 weight  0.10000E+01 volume  0.29653E-02 ppm1      1.044 ppm2      7.435 CV     1
 ASSI {  453}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.500     0.800     0.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.55202E-02 ppm1      1.044 ppm2      6.813 CV     1
 ASSI {  454}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.200     2.200     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.14309E-02 ppm1      0.993 ppm2      8.293 CV     1
 ASSI {  456}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HA  ))
      3.800     1.800     1.800 peak   456 spectrum    1 weight  0.10000E+01 volume  0.51951E-03 ppm1      0.991 ppm2      4.670 CV     1
 ASSI {  457}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.11329E-01 ppm1      0.993 ppm2      4.204 CV     1
 ASSI {  458}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.400     0.700     0.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.44284E-02 ppm1      1.067 ppm2      4.267 CV     1
 ASSI {  459}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.42230E-02 ppm1      1.013 ppm2      4.268 CV     1
 OR {  459}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  461}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H42B))
      3.200     1.300     1.300 peak   461 spectrum    1 weight  0.10000E+01 volume  0.65758E-03 ppm1      1.014 ppm2      3.453 CV     1
 OR {  461}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 42   and name H42B))
 OR {  461}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H42A))
 ASSI {  462}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
      2.700     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.21143E-02 ppm1      0.992 ppm2      3.449 CV     1
 ASSI {  464}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
      4.300     2.300     1.700 peak   464 spectrum    1 weight  0.10000E+01 volume  0.12433E-02 ppm1      0.991 ppm2      2.790 CV     1
 ASSI {  465}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.36216E-02 ppm1      0.370 ppm2      3.899 CV     1
 ASSI {  469}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
      3.400     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.72316E-03 ppm1      0.198 ppm2      4.395 CV     1
 ASSI {  474}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.300     1.300     1.300 peak   474 spectrum    1 weight  0.10000E+01 volume  0.67888E-03 ppm1      0.369 ppm2      3.604 CV     1
 ASSI {  475}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      5.100     3.200     0.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.25551E-03 ppm1      0.198 ppm2      3.604 CV     1
 ASSI {  477}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
      4.500     2.500     1.500 peak   477 spectrum    1 weight  0.10000E+01 volume  0.47832E-03 ppm1      0.371 ppm2      2.790 CV     1
 ASSI {  478}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      5.300     3.600     0.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.37000E-03 ppm1      0.200 ppm2      2.995 CV     1
 ASSI {  480}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
      4.500     2.600     1.500 peak   480 spectrum    1 weight  0.10000E+01 volume  0.43929E-03 ppm1      0.198 ppm2      2.406 CV     1
 ASSI {  481}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HB  ))
      3.900     1.900     1.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.45270E-03 ppm1      0.370 ppm2      2.408 CV     1
 ASSI {  482}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
      4.000     2.000     2.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.46909E-03 ppm1      0.369 ppm2      1.714 CV     1
 ASSI {  483}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      4.000     2.000     2.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.37617E-03 ppm1      0.196 ppm2      1.718 CV     1
 ASSI {  484}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      2.300     0.700     0.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.61362E-02 ppm1      0.369 ppm2      1.534 CV     1
 ASSI {  486}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      2.500     0.800     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.37401E-02 ppm1      0.196 ppm2      1.602 CV     1
 ASSI {  487}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      3.300     1.300     1.300 peak   487 spectrum    1 weight  0.10000E+01 volume  0.35424E-02 ppm1      0.373 ppm2      1.603 CV     1
 ASSI {  488}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.600     0.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.58848E-02 ppm1      0.370 ppm2      1.357 CV     1
 ASSI {  489}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.60372E-02 ppm1      0.197 ppm2      1.356 CV     1
 ASSI {  490}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 68   and name HG2%)
      2.800     1.000     1.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.43326E-02 ppm1      0.371 ppm2      1.218 CV     1
 ASSI {  491}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 68   and name HG2%)
      2.500     0.800     0.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.39361E-02 ppm1      0.198 ppm2      1.218 CV     1
 ASSI {  492}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      2.600     0.900     0.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.39144E-02 ppm1      0.197 ppm2      0.980 CV     1
 OR {  492}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  498}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak   498 spectrum    1 weight  0.10000E+01 volume  0.12943E-02 ppm1      0.371 ppm2      7.122 CV     1
 ASSI {  499}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      2.800     1.000     1.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.23364E-02 ppm1      0.371 ppm2      6.929 CV     1
 ASSI {  500}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      4.200     2.200     1.800 peak   500 spectrum    1 weight  0.10000E+01 volume  0.38319E-03 ppm1      0.370 ppm2      6.734 CV     1
 ASSI {  501}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.600     1.700     1.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.11937E-02 ppm1      0.198 ppm2      7.123 CV     1
 ASSI {  503}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      4.400     2.500     1.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.50023E-03 ppm1      0.197 ppm2      6.734 CV     1
 ASSI {  505}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.14494E-02 ppm1      0.449 ppm2      7.531 CV     1
 ASSI {  506}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.400     1.500     1.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.22090E-02 ppm1      0.449 ppm2      7.323 CV     1
 OR {  506}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  508}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      4.200     2.200     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.56352E-03 ppm1      0.449 ppm2      8.085 CV     1
 ASSI {  509}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      5.200     3.400     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.45055E-03 ppm1      0.369 ppm2      8.245 CV     1
 ASSI {  513}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.13268E-02 ppm1      0.449 ppm2      9.015 CV     1
 OR {  513}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  517}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak   517 spectrum    1 weight  0.10000E+01 volume  0.23997E-02 ppm1      0.698 ppm2      7.314 CV     1
 OR {  517}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  519}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.700     1.700     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.73320E-03 ppm1      0.698 ppm2      6.734 CV     1
 ASSI {  522}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.500     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.42312E-02 ppm1      0.765 ppm2      6.930 CV     1
 ASSI {  523}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      3.900     1.900     1.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.64275E-03 ppm1      0.450 ppm2      4.321 CV     1
 ASSI {  524}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      4.700     2.800     1.300 peak   524 spectrum    1 weight  0.10000E+01 volume  0.71683E-03 ppm1      0.449 ppm2      4.230 CV     1
 ASSI {  525}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.11392E-02 ppm1      0.449 ppm2      3.870 CV     1
 ASSI {  526}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak   526 spectrum    1 weight  0.10000E+01 volume  0.35892E-02 ppm1      0.449 ppm2      3.605 CV     1
 ASSI {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.100     0.500     0.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.77819E-02 ppm1      0.449 ppm2      3.295 CV     1
 ASSI {  528}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.400     1.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.22149E-02 ppm1      0.698 ppm2      3.290 CV     1
 ASSI {  529}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.400     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.14949E-02 ppm1      0.699 ppm2      3.010 CV     1
 ASSI {  530}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      4.000     2.000     2.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.42839E-03 ppm1      0.700 ppm2      2.455 CV     1
 ASSI {  531}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.600     1.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.36637E-02 ppm1      0.450 ppm2      2.235 CV     1
 OR {  531}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  532}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      2.300     0.700     0.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.23083E-02 ppm1      0.451 ppm2      1.862 CV     1
 ASSI {  534}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.41490E-02 ppm1      0.450 ppm2      2.015 CV     1
 ASSI {  536}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HG2 ))
      3.300     1.300     1.300 peak   536 spectrum    1 weight  0.10000E+01 volume  0.25958E-02 ppm1      0.450 ppm2      1.514 CV     1
 ASSI {  538}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.800     1.800     1.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.17377E-02 ppm1      0.798 ppm2      2.343 CV     1
 ASSI {  539}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.23714E-02 ppm1      0.797 ppm2      2.195 CV     1
 ASSI {  540}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.400     1.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.30515E-02 ppm1      0.764 ppm2      1.991 CV     1
 ASSI {  541}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.600     0.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.65397E-02 ppm1      0.764 ppm2      1.877 CV     1
 ASSI {  542}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.000     1.100     1.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.95871E-03 ppm1      0.890 ppm2      3.088 CV     1
 ASSI {  544}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak   544 spectrum    1 weight  0.10000E+01 volume  0.76857E-03 ppm1      0.784 ppm2      3.294 CV     1
 ASSI {  545}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.900     1.100     1.100 peak   545 spectrum    1 weight  0.10000E+01 volume  0.19400E-02 ppm1      1.031 ppm2      3.561 CV     1
 ASSI {  547}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.86465E-02 ppm1      1.032 ppm2      3.808 CV     1
 ASSI {  548}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
      3.800     1.800     1.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.10062E-02 ppm1      1.032 ppm2      4.520 CV     1
 ASSI {  549}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.200     0.600     0.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.56582E-02 ppm1      1.031 ppm2      7.401 CV     1
 ASSI {  551}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
      2.500     0.800     0.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.45413E-02 ppm1      1.032 ppm2      2.129 CV     1
 OR {  551}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
 ASSI {  553}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HB1 ))
      4.500     2.600     1.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.90157E-03 ppm1      1.032 ppm2      2.539 CV     1
 ASSI {  556}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.800     1.000     1.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.33795E-02 ppm1      1.079 ppm2      2.868 CV     1
 ASSI {  557}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD2 ))
      3.800     1.900     1.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.11434E-02 ppm1      1.079 ppm2      2.791 CV     1
 ASSI {  559}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD1 ))
      3.800     1.800     1.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.37089E-03 ppm1      1.081 ppm2      3.450 CV     1
 ASSI {  561}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.42993E-02 ppm1      1.080 ppm2      4.734 CV     1
 ASSI {  562}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.400     0.700     0.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.48029E-02 ppm1      1.079 ppm2      4.623 CV     1
 ASSI {  563}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.300     1.400     1.400 peak   563 spectrum    1 weight  0.10000E+01 volume  0.10776E-02 ppm1      1.081 ppm2      5.047 CV     1
 ASSI {  564}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.23743E-02 ppm1      1.080 ppm2      4.936 CV     1
 ASSI {  568}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.400     2.400     1.600 peak   568 spectrum    1 weight  0.10000E+01 volume  0.66588E-03 ppm1      1.079 ppm2      9.167 CV     1
 ASSI {  570}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.58580E-02 ppm1      1.419 ppm2      9.000 CV     1
 ASSI {  571}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.100     2.100     1.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.19764E-02 ppm1      1.419 ppm2      8.866 CV     1
 ASSI {  572}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.500     2.600     1.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.60987E-03 ppm1      1.416 ppm2      7.906 CV     1
 ASSI {  573}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.800     2.800     1.200 peak   573 spectrum    1 weight  0.10000E+01 volume  0.66476E-03 ppm1      1.417 ppm2      8.289 CV     1
 ASSI {  574}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.700     0.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.61156E-02 ppm1      1.419 ppm2      4.855 CV     1
 ASSI {  575}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.52463E-02 ppm1      1.419 ppm2      4.764 CV     1
 ASSI {  577}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
      4.900     3.000     1.100 peak   577 spectrum    1 weight  0.10000E+01 volume  0.44419E-03 ppm1      1.419 ppm2      3.038 CV     1
 ASSI {  579}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   579 spectrum    1 weight  0.10000E+01 volume  0.66128E-02 ppm1      1.382 ppm2      4.190 CV     1
 ASSI {  580}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      2.700     0.900     0.900 peak   580 spectrum    1 weight  0.10000E+01 volume  0.43485E-02 ppm1      1.383 ppm2      4.391 CV     1
 ASSI {  582}
   (  segid "    " and resid 3    and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.600     3.600     2.400 peak   582 spectrum    1 weight  0.10000E+01 volume  0.61118E-03 ppm1      1.385 ppm2      7.434 CV     1
 ASSI {  583}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.29051E-02 ppm1      1.383 ppm2      8.150 CV     1
 ASSI {  584}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   584 spectrum    1 weight  0.10000E+01 volume  0.17178E-02 ppm1      0.974 ppm2      4.104 CV     1
 ASSI {  587}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.800     1.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.24940E-02 ppm1      0.974 ppm2      4.209 CV     1
 ASSI {  589}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.45962E-02 ppm1      0.972 ppm2      4.669 CV     1
 ASSI {  590}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.300     1.400     1.400 peak   590 spectrum    1 weight  0.10000E+01 volume  0.37112E-02 ppm1      0.978 ppm2      7.403 CV     1
 ASSI {  591}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.27255E-02 ppm1      0.974 ppm2      7.495 CV     1
 ASSI {  594}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.200     1.300     1.300 peak   594 spectrum    1 weight  0.10000E+01 volume  0.17009E-02 ppm1      0.973 ppm2      8.485 CV     1
 ASSI {  597}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      3.400     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.26824E-02 ppm1      0.797 ppm2      7.328 CV     1
 ASSI {  599}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak   599 spectrum    1 weight  0.10000E+01 volume  0.39390E-03 ppm1      0.800 ppm2      8.084 CV     1
 ASSI {  600}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.900     1.900     1.900 peak   600 spectrum    1 weight  0.10000E+01 volume  0.63600E-03 ppm1      0.800 ppm2      8.868 CV     1
 ASSI {  602}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.64885E-03 ppm1      0.797 ppm2      9.420 CV     1
 ASSI {  605}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.100     0.500     0.500 peak   605 spectrum    1 weight  0.10000E+01 volume  0.76402E-02 ppm1      0.798 ppm2      3.883 CV     1
 ASSI {  606}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.300     0.600     0.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.66274E-02 ppm1      0.698 ppm2      1.574 CV     1
 ASSI {  610}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.800     1.800     1.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      8.479 ppm2      2.756 CV     1
 ASSI {  612}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.58801E-02 ppm1      8.474 ppm2      4.718 CV     1
 ASSI {  611}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.11470E-01 ppm1      0.450 ppm2      1.158 CV     1
 ASSI {  614}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.87718E-02 ppm1      0.698 ppm2      4.359 CV     1
 ASSI {  615}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 24   and name HB  ))
      3.400     1.500     1.500 peak   615 spectrum    1 weight  0.10000E+01 volume  0.72752E-03 ppm1      0.698 ppm2      4.237 CV     1
 ASSI {  617}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.63966E-02 ppm1      1.133 ppm2      4.460 CV     1
 ASSI {  618}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   618 spectrum    1 weight  0.10000E+01 volume  0.52270E-02 ppm1      1.133 ppm2      4.307 CV     1
 ASSI {  619}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      4.200     2.200     1.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.60227E-03 ppm1      0.697 ppm2      4.737 CV     1
 ASSI {  620}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak   620 spectrum    1 weight  0.10000E+01 volume  0.11603E-02 ppm1      0.887 ppm2      4.901 CV     1
 ASSI {  621}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
      2.600     0.800     0.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.40671E-02 ppm1      1.392 ppm2      7.326 CV     1
 OR {  621}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  622}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.500     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.50281E-02 ppm1      1.392 ppm2      7.209 CV     1
 ASSI {  625}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.29521E-02 ppm1      1.132 ppm2      7.281 CV     1
 ASSI {  626}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      3.800     1.800     1.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.17305E-02 ppm1      1.133 ppm2      6.924 CV     1
 ASSI {  627}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.11431E-02 ppm1      1.132 ppm2      7.704 CV     1
 ASSI {  632}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.100     2.100     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.13072E-02 ppm1      1.048 ppm2      8.091 CV     1
 ASSI {  635}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.600     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.91335E-03 ppm1      1.218 ppm2      9.166 CV     1
 ASSI {  637}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.600     2.600     1.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.38400E-03 ppm1      0.994 ppm2      9.420 CV     1
 ASSI {  638}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.74962E-03 ppm1      1.392 ppm2      8.289 CV     1
 ASSI {  646}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.900     3.000     1.100 peak   646 spectrum    1 weight  0.10000E+01 volume  0.33376E-03 ppm1      1.047 ppm2      7.224 CV     1
 ASSI {  649}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.13921E-02 ppm1      0.763 ppm2      8.416 CV     1
 ASSI {  650}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.14397E-02 ppm1      0.698 ppm2      8.483 CV     1
 ASSI {  652}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      4.400     2.400     1.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.34507E-03 ppm1      1.048 ppm2      6.924 CV     1
 ASSI {  653}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.54996E-03 ppm1      1.390 ppm2      3.296 CV     1
 ASSI {  654}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.49653E-02 ppm1      1.392 ppm2      3.869 CV     1
 ASSI {  655}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.75333E-02 ppm1      1.392 ppm2      4.317 CV     1
 ASSI {  659}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.100     0.600     0.600 peak   659 spectrum    1 weight  0.10000E+01 volume  0.11542E-01 ppm1      1.050 ppm2      4.215 CV     1
 ASSI {  660}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      3.100     3.100     2.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.93028E-02 ppm1      1.044 ppm2      4.315 CV     1
 ASSI {  663}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.200     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.78035E-02 ppm1      0.889 ppm2      4.374 CV     1
 ASSI {  666}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 47   and name HB2 ))
      5.000     3.200     1.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.16986E-03 ppm1      1.056 ppm2      2.191 CV     1
 ASSI {  669}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.200     1.300     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.34893E-02 ppm1      1.052 ppm2      2.342 CV     1
 ASSI {  670}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.47415E-02 ppm1      1.048 ppm2      2.225 CV     1
 ASSI {  671}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.000     0.500     0.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.11017E-01 ppm1      1.132 ppm2      2.409 CV     1
 ASSI {  675}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HD2 ))
      3.900     1.900     1.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.93136E-03 ppm1      1.044 ppm2      3.023 CV     1
 ASSI {  676}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H42B))
      3.300     1.400     1.400 peak   676 spectrum    1 weight  0.10000E+01 volume  0.49925E-03 ppm1      1.068 ppm2      3.454 CV     1
 OR {  676}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H42A))
 ASSI {  678}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      4.100     2.100     1.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.84096E-03 ppm1      1.127 ppm2      4.204 CV     1
 ASSI {  680}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.600     0.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.86470E-02 ppm1      1.120 ppm2      3.911 CV     1
 ASSI {  683}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.89843E-02 ppm1      1.066 ppm2      4.308 CV     1
 ASSI {  684}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.20801E-02 ppm1      0.961 ppm2      7.220 CV     1
 ASSI {  689}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
      4.300     2.300     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.30578E-03 ppm1      1.062 ppm2      8.009 CV     1
 ASSI {  690}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      4.300     2.300     1.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.61043E-03 ppm1      1.121 ppm2      8.410 CV     1
 ASSI {  691}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   691 spectrum    1 weight  0.10000E+01 volume  0.92334E-02 ppm1      1.121 ppm2      8.507 CV     1
 ASSI {  694}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      4.500     2.600     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.80216E-03 ppm1      1.029 ppm2      8.612 CV     1
 ASSI {  695}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.24840E-02 ppm1      0.960 ppm2      8.485 CV     1
 ASSI {  696}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.27173E-02 ppm1      1.284 ppm2      8.145 CV     1
 ASSI {  698}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.27112E-02 ppm1      1.242 ppm2      8.253 CV     1
 ASSI {  699}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak   699 spectrum    1 weight  0.10000E+01 volume  0.22650E-02 ppm1      1.285 ppm2      8.612 CV     1
 ASSI {  702}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      4.300     2.400     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.81056E-03 ppm1      1.066 ppm2      7.703 CV     1
 ASSI {  703}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.57037E-03 ppm1      0.973 ppm2      7.980 CV     1
 ASSI {  704}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      4.900     3.000     1.100 peak   704 spectrum    1 weight  0.10000E+01 volume  0.40342E-03 ppm1      1.029 ppm2      8.011 CV     1
 ASSI {  706}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
      5.200     3.400     0.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.39623E-03 ppm1      1.042 ppm2      8.408 CV     1
 ASSI {  707}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.23457E-02 ppm1      1.783 ppm2      7.220 CV     1
 ASSI {  708}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.600     1.600     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.97827E-03 ppm1      2.434 ppm2      6.893 CV     1
 ASSI {  709}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.100     1.200     1.200 peak   709 spectrum    1 weight  0.10000E+01 volume  0.11213E-02 ppm1      1.701 ppm2      6.896 CV     1
 OR {  709}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI {  710}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      2.800     1.000     1.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.25933E-02 ppm1      2.434 ppm2      7.705 CV     1
 ASSI {  711}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak   711 spectrum    1 weight  0.10000E+01 volume  0.21467E-02 ppm1      1.695 ppm2      7.704 CV     1
 ASSI {  712}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak   712 spectrum    1 weight  0.10000E+01 volume  0.25470E-02 ppm1      2.225 ppm2      8.419 CV     1
 ASSI {  715}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   715 spectrum    1 weight  0.10000E+01 volume  0.25553E-02 ppm1      1.700 ppm2      4.307 CV     1
 ASSI {  716}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   716 spectrum    1 weight  0.10000E+01 volume  0.20465E-02 ppm1      2.432 ppm2      4.304 CV     1
 ASSI {  719}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      4.600     2.700     1.400 peak   719 spectrum    1 weight  0.10000E+01 volume  0.45688E-03 ppm1      1.696 ppm2      3.884 CV     1
 ASSI {  720}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      1.700     0.300     0.500 peak   720 spectrum    1 weight  0.10000E+01 volume  0.10990E-01 ppm1      2.433 ppm2      1.694 CV     1
 ASSI {  721}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      4.400     2.400     1.600 peak   721 spectrum    1 weight  0.10000E+01 volume  0.95759E-03 ppm1      2.433 ppm2      1.217 CV     1
 ASSI {  724}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
      2.500     0.800     0.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.39945E-02 ppm1      2.433 ppm2      0.987 CV     1
 OR {  724}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  732}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.14925E-02 ppm1      1.995 ppm2      8.516 CV     1
 ASSI {  734}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak   734 spectrum    1 weight  0.10000E+01 volume  0.17911E-02 ppm1      1.919 ppm2      8.278 CV     1
 ASSI {  736}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.30797E-02 ppm1      1.917 ppm2      8.011 CV     1
 ASSI {  742}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.300     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.36600E-02 ppm1      1.537 ppm2      8.436 CV     1
 ASSI {  743}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.800     1.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.76731E-03 ppm1      1.596 ppm2      9.001 CV     1
 ASSI {  744}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.500     2.500     1.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.64078E-03 ppm1      1.638 ppm2      9.031 CV     1
 OR {  744}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  749}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.12995E-02 ppm1      1.424 ppm2      8.516 CV     1
 ASSI {  754}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     0.900     0.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      1.616 ppm2      8.240 CV     1
 ASSI {  755}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.25819E-02 ppm1      1.569 ppm2      8.083 CV     1
 ASSI {  757}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.15986E-02 ppm1      1.533 ppm2      8.248 CV     1
 ASSI {  758}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.400     1.500     1.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.60246E-03 ppm1      2.346 ppm2      7.342 CV     1
 OR {  758}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI {  761}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.20028E-02 ppm1      1.483 ppm2      9.420 CV     1
 ASSI {  768}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.600     2.600     1.400 peak   768 spectrum    1 weight  0.10000E+01 volume  0.61132E-03 ppm1      1.438 ppm2      7.436 CV     1
 ASSI {  771}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak   771 spectrum    1 weight  0.10000E+01 volume  0.84964E-03 ppm1      1.018 ppm2      9.029 CV     1
 OR {  771}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  782}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.100     1.100 peak   782 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      1.439 ppm2      8.966 CV     1
 ASSI {  784}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      5.100     3.200     0.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.35643E-03 ppm1      1.395 ppm2      7.325 CV     1
 ASSI {  785}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      4.800     2.900     1.200 peak   785 spectrum    1 weight  0.10000E+01 volume  0.53185E-03 ppm1      1.481 ppm2      7.329 CV     1
 ASSI {  787}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.400     1.400     1.400 peak   787 spectrum    1 weight  0.10000E+01 volume  0.29999E-03 ppm1      2.227 ppm2      7.435 CV     1
 ASSI {  788}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      4.200     2.200     1.800 peak   788 spectrum    1 weight  0.10000E+01 volume  0.86104E-03 ppm1      1.219 ppm2      7.312 CV     1
 OR {  788}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  790}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      3.500     1.600     1.600 peak   790 spectrum    1 weight  0.10000E+01 volume  0.17995E-02 ppm1      1.887 ppm2      8.136 CV     1
 ASSI {  792}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   792 spectrum    1 weight  0.10000E+01 volume  0.33550E-02 ppm1      1.884 ppm2      7.791 CV     1
 ASSI {  795}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.700     1.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.81084E-03 ppm1      1.426 ppm2      3.514 CV     1
 ASSI {  804}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.34038E-02 ppm1      1.880 ppm2      4.268 CV     1
 OR {  804}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  805}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.38655E-02 ppm1      1.841 ppm2      4.268 CV     1
 ASSI {  806}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   806 spectrum    1 weight  0.10000E+01 volume  0.55639E-03 ppm1      1.120 ppm2      3.517 CV     1
 ASSI {  807}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD2 ))
      4.100     2.100     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.55489E-03 ppm1      1.121 ppm2      3.187 CV     1
 OR {  807}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  808}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HG1 ))
      4.900     2.900     1.100 peak   808 spectrum    1 weight  0.10000E+01 volume  0.49765E-03 ppm1      1.125 ppm2      2.630 CV     1
 ASSI {  812}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1      1.640 ppm2      3.294 CV     1
 ASSI {  814}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   814 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      1.544 ppm2      3.607 CV     1
 ASSI {  818}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.22533E-02 ppm1      1.596 ppm2      4.526 CV     1
 ASSI {  819}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.99990E-03 ppm1      2.024 ppm2      4.903 CV     1
 ASSI {  820}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.500     2.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.74671E-03 ppm1      1.577 ppm2      4.913 CV     1
 ASSI {  821}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak   821 spectrum    1 weight  0.10000E+01 volume  0.18539E-02 ppm1      1.783 ppm2      4.307 CV     1
 ASSI {  830}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.100     1.100 peak   830 spectrum    1 weight  0.10000E+01 volume  0.11104E-02 ppm1      1.440 ppm2      3.952 CV     1
 ASSI {  832}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.38717E-02 ppm1      2.024 ppm2      4.221 CV     1
 ASSI {  841}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HE  ))
      3.400     1.500     1.500 peak   841 spectrum    1 weight  0.10000E+01 volume  0.89646E-03 ppm1      1.667 ppm2      9.036 CV     1
 OR {  841}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  843}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak   843 spectrum    1 weight  0.10000E+01 volume  0.93995E-03 ppm1      1.516 ppm2      9.033 CV     1
 OR {  843}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  845}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.15894E-02 ppm1      1.582 ppm2      8.482 CV     1
 ASSI {  847}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      3.300     1.400     1.400 peak   847 spectrum    1 weight  0.10000E+01 volume  0.13989E-02 ppm1      1.567 ppm2      9.420 CV     1
 ASSI {  849}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.85503E-03 ppm1      0.956 ppm2      9.421 CV     1
 ASSI {  850}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak   850 spectrum    1 weight  0.10000E+01 volume  0.66086E-03 ppm1      0.783 ppm2      9.036 CV     1
 OR {  850}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  852}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      4.300     2.300     1.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.56816E-03 ppm1      0.995 ppm2      7.973 CV     1
 ASSI {  855}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HA1 ))
      3.400     1.500     1.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.79911E-03 ppm1      1.283 ppm2      4.074 CV     1
 OR {  855}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  856}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HA1 ))
      3.600     1.600     1.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.84049E-03 ppm1      1.243 ppm2      4.067 CV     1
 OR {  856}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  858}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.900     0.900 peak   858 spectrum    1 weight  0.10000E+01 volume  0.63853E-02 ppm1      1.285 ppm2      4.332 CV     1
 ASSI {  859}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.200     0.600     0.600 peak   859 spectrum    1 weight  0.10000E+01 volume  0.83359E-02 ppm1      1.284 ppm2      4.227 CV     1
 ASSI {  861}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.200     0.600     0.600 peak   861 spectrum    1 weight  0.10000E+01 volume  0.96087E-02 ppm1      1.242 ppm2      4.376 CV     1
 ASSI {  862}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 39   and name HA1 ))
      4.700     2.800     1.300 peak   862 spectrum    1 weight  0.10000E+01 volume  0.41214E-03 ppm1      1.240 ppm2      3.905 CV     1
 ASSI {  863}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.64364E-03 ppm1      1.242 ppm2      2.824 CV     1
 OR {  863}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  864}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.400     1.400 peak   864 spectrum    1 weight  0.10000E+01 volume  0.94647E-03 ppm1      1.284 ppm2      2.447 CV     1
 ASSI {  868}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      3.900     1.900     1.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.12903E-02 ppm1      0.972 ppm2      3.449 CV     1
 ASSI {  869}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HD2 ))
      3.800     1.800     1.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.78954E-03 ppm1      0.980 ppm2      3.567 CV     1
 ASSI {  870}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   870 spectrum    1 weight  0.10000E+01 volume  0.62436E-02 ppm1      0.978 ppm2      3.808 CV     1
 ASSI {  871}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      2.100     0.600     0.600 peak   871 spectrum    1 weight  0.10000E+01 volume  0.11054E-01 ppm1      0.960 ppm2      4.307 CV     1
 ASSI {  873}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      4.700     2.700     1.300 peak   873 spectrum    1 weight  0.10000E+01 volume  0.56056E-03 ppm1      0.974 ppm2      4.462 CV     1
 ASSI {  876}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      1.900     0.500     0.500 peak   876 spectrum    1 weight  0.10000E+01 volume  0.10425E-01 ppm1      0.972 ppm2      2.128 CV     1
 ASSI {  877}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.100     0.500     0.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.11865E-01 ppm1      0.979 ppm2      2.206 CV     1
 ASSI {  878}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.35050E-02 ppm1      1.066 ppm2      2.428 CV     1
 ASSI {  880}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.500     0.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.14133E-01 ppm1      1.042 ppm2      2.269 CV     1
 ASSI {  881}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.500     0.500 peak   881 spectrum    1 weight  0.10000E+01 volume  0.13696E-01 ppm1      1.121 ppm2      2.271 CV     1
 ASSI {  884}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.900     1.900     1.900 peak   884 spectrum    1 weight  0.10000E+01 volume  0.57806E-03 ppm1      1.285 ppm2      6.736 CV     1
 ASSI {  885}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.600     1.700     1.700 peak   885 spectrum    1 weight  0.10000E+01 volume  0.66363E-03 ppm1      1.242 ppm2      6.733 CV     1
 ASSI {  886}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      4.700     2.800     1.300 peak   886 spectrum    1 weight  0.10000E+01 volume  0.41330E-03 ppm1      1.283 ppm2      6.967 CV     1
 ASSI {  887}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak   887 spectrum    1 weight  0.10000E+01 volume  0.33064E-03 ppm1      1.242 ppm2      6.968 CV     1
 ASSI {  892}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      3.600     1.600     1.600 peak   892 spectrum    1 weight  0.10000E+01 volume  0.62469E-03 ppm1      1.129 ppm2      6.897 CV     1
 OR {  892}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  894}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.400     2.400     1.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.98020E-03 ppm1      1.546 ppm2      6.964 CV     1
 ASSI {  895}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.500     1.500     1.500 peak   895 spectrum    1 weight  0.10000E+01 volume  0.11145E-02 ppm1      1.397 ppm2      7.314 CV     1
 OR {  895}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI {  896}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.51168E-03 ppm1      1.395 ppm2      7.201 CV     1
 ASSI {  902}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 35   and name HD% )
      4.400     2.500     1.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.48320E-03 ppm1      1.555 ppm2      7.122 CV     1
 ASSI {  903}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 79   and name HD21))
      4.600     2.700     1.400 peak   903 spectrum    1 weight  0.10000E+01 volume  0.68207E-03 ppm1      1.695 ppm2      7.329 CV     1
 ASSI {  912}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   912 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1      1.708 ppm2      4.374 CV     1
 ASSI {  914}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.80226E-03 ppm1      1.685 ppm2      7.992 CV     1
 ASSI {  918}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.400     1.500     1.500 peak   918 spectrum    1 weight  0.10000E+01 volume  0.18587E-02 ppm1      1.124 ppm2      8.734 CV     1
 ASSI {  922}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      4.800     2.900     1.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.47481E-03 ppm1      1.079 ppm2      9.018 CV     1
 OR {  922}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  925}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   925 spectrum    1 weight  0.10000E+01 volume  0.31625E-02 ppm1      1.540 ppm2      8.251 CV     1
 ASSI {  926}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.10197E-01 ppm1      1.543 ppm2      7.813 CV     1
 ASSI {  927}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.000     1.100     1.100 peak   927 spectrum    1 weight  0.10000E+01 volume  0.26419E-02 ppm1      1.488 ppm2      7.947 CV     1
 ASSI {  928}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   928 spectrum    1 weight  0.10000E+01 volume  0.56253E-03 ppm1      1.123 ppm2      6.736 CV     1
 ASSI {  929}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      2.500     0.800     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.41784E-02 ppm1      1.221 ppm2      6.922 CV     1
 ASSI {  930}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.100     1.200     1.200 peak   930 spectrum    1 weight  0.10000E+01 volume  0.13221E-02 ppm1      1.222 ppm2      7.122 CV     1
 ASSI {  934}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.900     1.900     1.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.82684E-03 ppm1      1.221 ppm2      7.703 CV     1
 ASSI {  938}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
      4.300     2.300     1.700 peak   938 spectrum    1 weight  0.10000E+01 volume  0.53115E-03 ppm1      1.129 ppm2      4.156 CV     1
 ASSI {  939}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
      3.500     1.600     1.600 peak   939 spectrum    1 weight  0.10000E+01 volume  0.74038E-03 ppm1      1.127 ppm2      4.068 CV     1
 ASSI {  945}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   945 spectrum    1 weight  0.10000E+01 volume  0.29053E-02 ppm1      1.221 ppm2      4.462 CV     1
 ASSI {  946}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.300     1.300     1.300 peak   946 spectrum    1 weight  0.10000E+01 volume  0.23389E-02 ppm1      1.220 ppm2      4.307 CV     1
 ASSI {  947}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.48799E-02 ppm1      1.065 ppm2      4.659 CV     1
 ASSI {  948}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   948 spectrum    1 weight  0.10000E+01 volume  0.25281E-02 ppm1      0.925 ppm2      4.669 CV     1
 ASSI {  949}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.51022E-02 ppm1      0.926 ppm2      4.104 CV     1
 ASSI {  950}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.100     1.200     1.200 peak   950 spectrum    1 weight  0.10000E+01 volume  0.12422E-02 ppm1      0.925 ppm2      4.204 CV     1
 ASSI {  951}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.17525E-02 ppm1      0.925 ppm2      3.747 CV     1
 ASSI {  953}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.200     1.300     1.300 peak   953 spectrum    1 weight  0.10000E+01 volume  0.14246E-02 ppm1      0.925 ppm2      3.450 CV     1
 ASSI {  954}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      4.800     2.900     1.200 peak   954 spectrum    1 weight  0.10000E+01 volume  0.40263E-03 ppm1      0.926 ppm2      4.853 CV     1
 ASSI {  956}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      4.900     3.000     1.100 peak   956 spectrum    1 weight  0.10000E+01 volume  0.79264E-03 ppm1      1.064 ppm2      6.967 CV     1
 ASSI {  958}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak   958 spectrum    1 weight  0.10000E+01 volume  0.44000E-03 ppm1      1.067 ppm2      7.530 CV     1
 ASSI {  961}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 56   and name HD% )
      4.300     2.300     1.700 peak   961 spectrum    1 weight  0.10000E+01 volume  0.56722E-03 ppm1      0.923 ppm2      7.411 CV     1
 ASSI {  963}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      3.200     1.300     1.300 peak   963 spectrum    1 weight  0.10000E+01 volume  0.65439E-03 ppm1      0.925 ppm2      8.286 CV     1
 ASSI {  964}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      4.200     2.200     1.800 peak   964 spectrum    1 weight  0.10000E+01 volume  0.48785E-03 ppm1      0.927 ppm2      7.981 CV     1
 ASSI {  965}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      3.900     1.900     1.900 peak   965 spectrum    1 weight  0.10000E+01 volume  0.17557E-02 ppm1      0.925 ppm2      8.485 CV     1
 ASSI {  967}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.33250E-03 ppm1      0.925 ppm2      8.960 CV     1
 ASSI {  968}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      4.100     2.100     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.53293E-03 ppm1      1.122 ppm2      6.952 CV     1
 ASSI {  969}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.14825E-02 ppm1      1.066 ppm2      4.374 CV     1
 ASSI {  970}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      3.200     1.300     1.300 peak   970 spectrum    1 weight  0.10000E+01 volume  0.67733E-03 ppm1      1.067 ppm2      4.234 CV     1
 ASSI {  971}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.700     0.900     0.900 peak   971 spectrum    1 weight  0.10000E+01 volume  0.43415E-02 ppm1      1.025 ppm2      3.565 CV     1
 ASSI {  972}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.100     1.200     1.200 peak   972 spectrum    1 weight  0.10000E+01 volume  0.35452E-02 ppm1      1.026 ppm2      4.001 CV     1
 ASSI {  975}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      4.100     2.100     1.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.54635E-03 ppm1      1.023 ppm2      4.271 CV     1
 ASSI {  976}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.41022E-02 ppm1      1.026 ppm2      4.652 CV     1
 ASSI {  977}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      4.800     2.800     1.200 peak   977 spectrum    1 weight  0.10000E+01 volume  0.36655E-03 ppm1      1.026 ppm2      4.536 CV     1
 ASSI {  979}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak   979 spectrum    1 weight  0.10000E+01 volume  0.66945E-03 ppm1      0.876 ppm2      4.901 CV     1
 ASSI {  980}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak   980 spectrum    1 weight  0.10000E+01 volume  0.63112E-03 ppm1      1.027 ppm2      7.401 CV     1
 ASSI {  981}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.200     1.300     1.300 peak   981 spectrum    1 weight  0.10000E+01 volume  0.78368E-03 ppm1      0.876 ppm2      7.439 CV     1
 ASSI {  982}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.400     1.400 peak   982 spectrum    1 weight  0.10000E+01 volume  0.15114E-02 ppm1      0.875 ppm2      8.881 CV     1
 ASSI {  983}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   983 spectrum    1 weight  0.10000E+01 volume  0.58636E-03 ppm1      0.873 ppm2      9.421 CV     1
 ASSI {  987}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.100     2.100     1.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.29937E-03 ppm1      0.877 ppm2      3.450 CV     1
 ASSI {  988}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.200     2.200     1.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.77040E-03 ppm1      0.871 ppm2      3.903 CV     1
 ASSI {  989}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      5.600     3.900     0.400 peak   989 spectrum    1 weight  0.10000E+01 volume  0.28504E-03 ppm1      0.878 ppm2      4.201 CV     1
 ASSI {  990}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      4.800     2.900     1.200 peak   990 spectrum    1 weight  0.10000E+01 volume  0.31658E-03 ppm1      0.879 ppm2      4.107 CV     1
 ASSI {  991}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.500     0.500 peak   991 spectrum    1 weight  0.10000E+01 volume  0.75755E-02 ppm1      0.874 ppm2      1.937 CV     1
 ASSI {  994}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.24546E-02 ppm1      1.394 ppm2      4.444 CV     1
 ASSI {  995}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.100     0.600     0.600 peak   995 spectrum    1 weight  0.10000E+01 volume  0.10483E-01 ppm1      1.396 ppm2      3.986 CV     1
 ASSI {  966}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak   966 spectrum    1 weight  0.10000E+01 volume  0.63215E-03 ppm1      1.067 ppm2      8.483 CV     1
 ASSI {  998}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA1 ))
      4.100     2.100     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.63370E-03 ppm1      1.388 ppm2      4.152 CV     1
 ASSI { 1000}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      1.396 ppm2      4.267 CV     1
 ASSI { 1001}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.63192E-02 ppm1      1.224 ppm2      7.282 CV     1
 ASSI { 1002}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.100     0.600     0.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.10088E-01 ppm1      1.395 ppm2      8.248 CV     1
 ASSI { 1003}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.000     1.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.35968E-02 ppm1      1.395 ppm2      8.020 CV     1
 ASSI { 1005}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.41419E-02 ppm1      1.519 ppm2      8.433 CV     1
 ASSI { 1008}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.700     1.700     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.13597E-02 ppm1      1.541 ppm2      6.966 CV     1
 ASSI { 1009}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.32714E-02 ppm1      1.519 ppm2      6.966 CV     1
 ASSI { 1010}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      2.800     1.000     1.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.28106E-02 ppm1      1.541 ppm2      6.735 CV     1
 ASSI { 1011}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.000     1.200     1.200 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.17215E-02 ppm1      1.520 ppm2      6.735 CV     1
 ASSI { 1013}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.32702E-02 ppm1      1.541 ppm2      3.911 CV     1
 ASSI { 1014}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA2 ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.17038E-02 ppm1      1.539 ppm2      4.069 CV     1
 OR { 1014}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA1 ))
 ASSI { 1015}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.300     0.600     0.600 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.57905E-02 ppm1      1.063 ppm2      2.450 CV     1
 ASSI { 1019}
   (  segid "    " and resid 65   and name HB%)
   (( segid "    " and resid 46   and name HG1  ))
      3.500     1.500     1.500 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.57905E-02 ppm1      1.063 ppm2      2.450 CV     1
 ASSI { 1021}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
      3.900     1.900     1.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.46119E-03 ppm1      1.522 ppm2      2.993 CV     1
 ASSI { 1023}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HB1 ))
      3.300     1.400     1.400 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.85473E-03 ppm1      1.393 ppm2      2.829 CV     1
 ASSI { 1024}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.600     0.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.11541E-01 ppm1      1.518 ppm2      4.313 CV     1
 ASSI { 1025}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.26440E-02 ppm1      1.520 ppm2      4.579 CV     1
 ASSI { 1027}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      3.700     1.700     1.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.70702E-03 ppm1      1.527 ppm2      3.884 CV     1
 ASSI { 1028}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
      3.800     1.800     1.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.71462E-03 ppm1      1.525 ppm2      4.044 CV     1
 ASSI { 1031}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.20692E-02 ppm1      1.447 ppm2      4.357 CV     1
 ASSI { 1032}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      1.796 ppm2      4.653 CV     1
 ASSI { 1033}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.000     2.000     2.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.81647E-03 ppm1      1.798 ppm2      4.004 CV     1
 ASSI { 1034}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      3.800     1.100     1.100 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.10559E-02 ppm1      1.797 ppm2      3.566 CV     1
 ASSI { 1040}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.30921E-02 ppm1      0.964 ppm2      3.992 CV     1
 ASSI { 1042}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      4.000     2.000     2.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.19055E-02 ppm1      0.955 ppm2      4.373 CV     1
 ASSI { 1044}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      5.800     4.300     0.200 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.16655E-03 ppm1      0.954 ppm2      4.895 CV     1
 ASSI { 1047}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.19178E-02 ppm1      2.223 ppm2      4.313 CV     1
 ASSI { 1049}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.18144E-02 ppm1      2.347 ppm2      4.214 CV     1
 ASSI { 1054}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.99240E-03 ppm1      1.993 ppm2      3.513 CV     1
 ASSI { 1055}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      1.800     0.400     0.400 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.15361E-01 ppm1      2.363 ppm2      3.027 CV     1
 ASSI { 1056}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      1.800     0.400     0.400 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.11241E-01 ppm1      2.701 ppm2      3.034 CV     1
 ASSI { 1058}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HD1 ))
      1.800     0.400     0.400 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.96354E-02 ppm1      3.015 ppm2      3.494 CV     1
 ASSI { 1063}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      1.700     0.400     0.500 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.13005E-01 ppm1      2.846 ppm2      3.277 CV     1
 ASSI { 1064}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.600     1.500 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.78603E-03 ppm1      3.015 ppm2      3.605 CV     1
 ASSI { 1067}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.28736E-02 ppm1      3.283 ppm2      4.736 CV     1
 ASSI { 1069}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.300     1.300 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.12467E-02 ppm1      3.094 ppm2      4.811 CV     1
 ASSI { 1070}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.14599E-02 ppm1      3.001 ppm2      4.811 CV     1
 ASSI { 1071}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.28799E-02 ppm1      2.845 ppm2      4.735 CV     1
 ASSI { 1073}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
      2.800     1.000     1.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.26458E-02 ppm1      3.502 ppm2      6.909 CV     1
 OR { 1073}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1073}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1074}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
      2.900     1.000     1.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.18992E-02 ppm1      3.017 ppm2      6.913 CV     1
 OR { 1074}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1074}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1077}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.47152E-03 ppm1      3.036 ppm2      7.213 CV     1
 ASSI { 1097}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.34916E-02 ppm1      2.761 ppm2      8.612 CV     1
 ASSI { 1098}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.57088E-02 ppm1      2.835 ppm2      8.499 CV     1
 ASSI { 1099}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.10736E-02 ppm1      2.773 ppm2      8.490 CV     1
 ASSI { 1102}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.300     1.300 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.21101E-02 ppm1      2.752 ppm2      8.822 CV     1
 ASSI { 1105}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      3.300     1.400     1.400 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.14873E-02 ppm1      2.793 ppm2      7.120 CV     1
 ASSI { 1106}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      2.700     0.900     0.900 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.27981E-02 ppm1      2.795 ppm2      6.966 CV     1
 ASSI { 1107}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      3.600     1.600     1.600 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.16012E-02 ppm1      3.008 ppm2      7.120 CV     1
 ASSI { 1108}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      2.500     0.800     0.800 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.25323E-02 ppm1      3.005 ppm2      6.965 CV     1
 ASSI { 1109}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.30294E-02 ppm1      3.014 ppm2      7.314 CV     1
 ASSI { 1111}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.600     0.800     0.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.32748E-02 ppm1      3.293 ppm2      7.313 CV     1
 ASSI { 1114}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      4.700     2.800     1.300 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.43812E-03 ppm1      3.006 ppm2      6.742 CV     1
 ASSI { 1115}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.800     2.800     1.200 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.40236E-03 ppm1      2.800 ppm2      6.738 CV     1
 ASSI { 1117}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      3.200     1.300     1.300 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.18139E-02 ppm1      3.041 ppm2      0.650 CV     1
 OR { 1117}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1118}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
      2.800     1.000     1.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.22935E-02 ppm1      2.700 ppm2      0.650 CV     1
 OR { 1118}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1130}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.600     0.900     0.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.13085E-02 ppm1      2.796 ppm2      3.604 CV     1
 ASSI { 1132}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.700     0.400     0.500 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.95754E-02 ppm1      3.014 ppm2      3.290 CV     1
 ASSI { 1136}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.80427E-03 ppm1      3.294 ppm2      4.359 CV     1
 ASSI { 1138}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.31828E-02 ppm1      2.749 ppm2      4.444 CV     1
 ASSI { 1140}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.20900E-02 ppm1      2.720 ppm2      4.238 CV     1
 ASSI { 1141}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.12753E-02 ppm1      3.004 ppm2      4.579 CV     1
 ASSI { 1144}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.23588E-02 ppm1      2.886 ppm2      4.714 CV     1
 ASSI { 1147}   
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      4.100     2.100     1.900 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.99324E-03 ppm1      2.827 ppm2      4.537 CV     1
 OR { 1147}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1158}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      5.000     3.100     1.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.73527E-03 ppm1      2.795 ppm2      0.194 CV     1
 ASSI { 1160}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.500     0.800     0.800 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.41577E-02 ppm1      3.016 ppm2      1.645 CV     1
 OR { 1160}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1161}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.600     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.23918E-02 ppm1      3.015 ppm2      1.513 CV     1
 ASSI { 1162}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.500     0.800     0.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.36755E-02 ppm1      3.501 ppm2      1.649 CV     1
 OR { 1162}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1163}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.600     0.800     0.800 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.22267E-02 ppm1      3.501 ppm2      1.511 CV     1
 ASSI { 1178}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.700     0.400     0.500 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.88037E-02 ppm1      2.346 ppm2      1.567 CV     1
 ASSI { 1179}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.800     0.400     0.400 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.89505E-02 ppm1      2.198 ppm2      1.541 CV     1
 ASSI { 1180}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.700     0.900     0.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.22804E-02 ppm1      2.347 ppm2      1.889 CV     1
 ASSI { 1182}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.300     1.300 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.13142E-02 ppm1      3.096 ppm2      1.889 CV     1
 ASSI { 1183}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.300     1.300     1.300 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.15068E-02 ppm1      3.096 ppm2      1.607 CV     1
 ASSI { 1184}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.27798E-02 ppm1      3.096 ppm2      1.347 CV     1
 ASSI { 1185}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.25189E-02 ppm1      3.015 ppm2      1.346 CV     1
 ASSI { 1186}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.600     0.800     0.800 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.33497E-02 ppm1      3.095 ppm2      0.966 CV     1
 ASSI { 1194}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.700     0.900     0.900 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.35773E-02 ppm1      3.245 ppm2      2.059 CV     1
 OR { 1194}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1195}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.26289E-02 ppm1      3.176 ppm2      2.044 CV     1
 OR { 1195}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1195}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1195}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1196}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.20408E-02 ppm1      3.302 ppm2      2.185 CV     1
 ASSI { 1198}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.100     1.200     1.200 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.15342E-02 ppm1      3.344 ppm2      2.166 CV     1
 ASSI { 1200}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.20548E-02 ppm1      3.450 ppm2      1.861 CV     1
 ASSI { 1202}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.400     1.500     1.500 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.95486E-03 ppm1      3.501 ppm2      1.855 CV     1
 ASSI { 1203}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.600     0.900     0.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.33936E-02 ppm1      3.443 ppm2      1.734 CV     1
 ASSI { 1204}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.400     0.700     0.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.32741E-02 ppm1      3.451 ppm2      1.621 CV     1
 ASSI { 1205}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.40706E-02 ppm1      3.375 ppm2      1.683 CV     1
 ASSI { 1207}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG2 ))
      3.000     1.100     1.100 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.33688E-02 ppm1      3.349 ppm2      1.631 CV     1
 ASSI { 1208}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.24840E-02 ppm1      3.276 ppm2      1.854 CV     1
 OR { 1208}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 1211}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.000     1.100     1.100 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.30560E-02 ppm1      3.374 ppm2      2.028 CV     1
 OR { 1211}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1214}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.600     0.900     0.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.47964E-02 ppm1      3.446 ppm2      2.021 CV     1
 OR { 1214}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1215}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.200     1.300     1.300 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.14638E-02 ppm1      3.013 ppm2      1.074 CV     1
 ASSI { 1216}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 70   and name HG2%)
      3.200     1.300     1.300 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.14638E-02 ppm1      3.013 ppm2      1.074 CV     1
 ASSI { 1218}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.800     1.800     1.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.84424E-03 ppm1      3.096 ppm2      4.100 CV     1
 ASSI { 1218}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.800     1.800     1.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.84424E-03 ppm1      3.096 ppm2      4.100 CV     1
 ASSI { 1220}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.84424E-03 ppm1      3.096 ppm2      4.100 CV     1
 ASSI { 1221}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     0.800     0.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.84424E-03 ppm1      3.096 ppm2      4.100 CV     1
 ASSI { 1222}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      4.600     2.600     1.400 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.73606E-03 ppm1      3.254 ppm2      4.620 CV     1
 OR { 1222}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1224}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
      3.200     1.200     1.200 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      1.131 ppm2      2.424 CV     1
 ASSI { 1225}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.300     0.700     0.700 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.44585E-02 ppm1      1.131 ppm2      2.346 CV     1
 ASSI { 1227}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.100     0.600     0.600 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.92827E-02 ppm1      1.130 ppm2      1.890 CV     1
 ASSI { 1228}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.36021E-02 ppm1      1.399 ppm2      2.044 CV     1
 OR { 1228}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1229}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.20460E-02 ppm1      1.827 ppm2      2.452 CV     1
 ASSI { 1230}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.300     3.300     2.700 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.39011E-02 ppm1      1.705 ppm2      2.430 CV     1
 ASSI { 1231}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.15416E-02 ppm1      1.401 ppm2      3.514 CV     1
 ASSI { 1232}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.600     1.400 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.40360E-03 ppm1      1.396 ppm2      7.992 CV     1
 ASSI { 1234}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.900     1.200 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.37883E-03 ppm1      1.396 ppm2      8.845 CV     1
 ASSI { 1235}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.000     1.100     1.100 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.14308E-02 ppm1      1.665 ppm2      3.015 CV     1
 ASSI { 1240}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD1 ))
      3.100     1.200     1.200 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.26799E-02 ppm1      1.951 ppm2      3.445 CV     1
 ASSI { 1241}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HD2 ))
      3.000     1.100     1.100 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.20893E-02 ppm1      1.735 ppm2      3.299 CV     1
 ASSI { 1242}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.400     0.700     0.700 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.42587E-02 ppm1      1.688 ppm2      3.351 CV     1
 OR { 1242}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI { 1243}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.49887E-02 ppm1      1.756 ppm2      3.258 CV     1
 OR { 1243}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 1243}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1243}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 1244}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.22382E-02 ppm1      1.741 ppm2      2.190 CV     1
 ASSI { 1246}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.600     1.600     1.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      1.758 ppm2      3.807 CV     1
 OR { 1246}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1248}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD1 ))
      2.800     1.000     1.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      1.663 ppm2      3.494 CV     1
 ASSI { 1250}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.15401E-02 ppm1      1.511 ppm2      3.605 CV     1
 ASSI { 1253}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.400     0.700     0.700 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.43124E-02 ppm1      2.136 ppm2      3.564 CV     1
 OR { 1253}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD2 ))
 ASSI { 1254}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.400     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.41729E-02 ppm1      2.138 ppm2      4.008 CV     1
 OR { 1254}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI { 1255}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.11337E-02 ppm1      2.054 ppm2      4.314 CV     1
 ASSI { 1257}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.300     2.300     1.700 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.11424E-02 ppm1      2.207 ppm2      3.294 CV     1
 ASSI { 1258}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
      4.800     2.900     1.200 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.81760E-03 ppm1      2.141 ppm2      4.654 CV     1
 OR { 1258}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1261}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.16770E-02 ppm1      1.974 ppm2      4.239 CV     1
 ASSI { 1264}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     0.800     0.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      1.758 ppm2      3.807 CV     1
 OR { 1264}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1267}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
      3.500     1.600     1.600 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.10551E-02 ppm1      1.496 ppm2      4.652 CV     1
 ASSI { 1268}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.300     1.300 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.12038E-02 ppm1      1.571 ppm2      4.520 CV     1
 ASSI { 1269}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 35   and name HA  ))
      2.200     0.600     0.600 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.24714E-02 ppm1      1.558 ppm2      4.383 CV     1
 ASSI { 1270}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.200     1.200 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.20434E-02 ppm1      1.743 ppm2      4.239 CV     1
 ASSI { 1272}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.200     1.200 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.26855E-02 ppm1      1.849 ppm2      4.217 CV     1
 ASSI { 1277}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.25796E-02 ppm1      2.053 ppm2      8.418 CV     1
 ASSI { 1278}
   (( segid "    " and resid 55   and name HG2 ))
   (  segid "    " and resid 56   and name HD% )
      3.800     1.800     1.800 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.37926E-03 ppm1      0.976 ppm2      7.436 CV     1
 ASSI { 1279}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 79   and name HD22))
      3.800     1.800     1.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.90181E-03 ppm1      1.687 ppm2      7.669 CV     1
 ASSI { 1281}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     2.900     3.100 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.74864E-03 ppm1      1.757 ppm2      7.406 CV     1
 OR { 1281}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1282}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     2.900     3.100 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.74864E-03 ppm1      1.757 ppm2      7.406 CV     1
 OR { 1282}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1283}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.21244E-02 ppm1      1.785 ppm2      7.219 CV     1
 ASSI { 1286}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HN  ))
      3.000     1.200     1.200 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.26855E-02 ppm1      1.849 ppm2      4.217 CV     1
 ASSI { 1289}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 40   and name HD% )
      2.300     0.700     0.700 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.17325E-02 ppm1      1.825 ppm2      6.966 CV     1
 ASSI { 1290}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 35   and name HD% )
      4.000     2.000     2.000 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.66654E-03 ppm1      1.824 ppm2      7.126 CV     1
 ASSI { 1291}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 40   and name HE% )
      4.100     2.100     1.900 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.43760E-03 ppm1      1.825 ppm2      6.737 CV     1
 ASSI { 1292}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.200     1.300     1.300 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.91846E-03 ppm1      2.204 ppm2      6.912 CV     1
 OR { 1292}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 1293}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
      2.900     1.000     1.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.20011E-02 ppm1      2.205 ppm2      7.314 CV     1
 ASSI { 1295}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.62816E-03 ppm1      2.135 ppm2      7.404 CV     1
 OR { 1295}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1298}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD2 ))
      3.600     1.600     1.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      2.205 ppm2      2.788 CV     1
 ASSI { 1300}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      4.000     2.000     2.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.45425E-03 ppm1      2.489 ppm2      4.376 CV     1
 ASSI { 1301}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.77111E-03 ppm1      2.266 ppm2      7.544 CV     1
 ASSI { 1302}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HE% )
      4.000     2.000     2.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.41967E-03 ppm1      1.892 ppm2      6.812 CV     1
 ASSI { 1303}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.800     2.800     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.43604E-03 ppm1      1.604 ppm2      6.816 CV     1
 ASSI { 1304}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.100     1.200     1.200 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.13452E-02 ppm1      2.465 ppm2      1.124 CV     1
 ASSI { 1305}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.100     1.200     1.200 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.21003E-02 ppm1      2.276 ppm2      1.121 CV     1
 ASSI { 1308}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      5.100     3.300     0.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.42231E-03 ppm1      2.463 ppm2      1.221 CV     1
 ASSI { 1312}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 58   and name HG1%)
      4.500     2.600     1.500 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.65964E-03 ppm1      2.491 ppm2      0.923 CV     1
 ASSI { 1319}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HB  ))
      3.500     1.500     1.500 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.25936E-03 ppm1      2.794 ppm2      4.622 CV     1
 ASSI { 1320}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HD2 ))
      1.800     0.400     0.400 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.87901E-02 ppm1      4.015 ppm2      3.565 CV     1
 ASSI { 1322}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.38878E-03 ppm1      2.792 ppm2      7.220 CV     1
 ASSI { 1323}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HE% )
      4.700     2.800     1.300 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.44692E-03 ppm1      2.792 ppm2      6.902 CV     1
 OR { 1323}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1325}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 35   and name HE% )
      4.000     2.000     2.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.31563E-03 ppm1      4.039 ppm2      6.902 CV     1
 OR { 1325}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1332}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.700     0.900     0.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.13631E-02 ppm1      2.791 ppm2      1.340 CV     1
 ASSI { 1339}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.17342E-02 ppm1      4.031 ppm2      1.342 CV     1
 ASSI { 1350}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.76501E-03 ppm1      2.205 ppm2      4.233 CV     1
 ASSI { 1351}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.700     0.900     0.900 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.12825E-02 ppm1      2.205 ppm2      4.029 CV     1
 ASSI { 1358}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 60   and name HD1%)
      2.200     0.600     0.600 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.73808E-02 ppm1      1.492 ppm2      0.845 CV     1
 ASSI { 1359}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HG12))
      1.600     0.300     0.600 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.14463E-01 ppm1      1.492 ppm2      1.109 CV     1
 ASSI { 1364}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
      4.100     2.100     1.900 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.83463E-03 ppm1      1.535 ppm2      4.399 CV     1
 ASSI { 1365}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
      4.400     2.500     1.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.73372E-03 ppm1      1.536 ppm2      8.324 CV     1
 ASSI { 1370}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.91063E-02 ppm1      1.536 ppm2      8.733 CV     1
 ASSI { 1371}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
      4.700     2.800     1.300 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.27676E-03 ppm1      1.534 ppm2      8.523 CV     1
 ASSI { 1372}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.49108E-03 ppm1      1.535 ppm2      8.445 CV     1
 ASSI { 1374}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.200     0.600     0.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.13015E-01 ppm1      1.653 ppm2      8.242 CV     1
 ASSI { 1375}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.60851E-02 ppm1      1.653 ppm2      8.132 CV     1
 ASSI { 1385}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.300     0.600     0.600 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.87023E-02 ppm1      1.672 ppm2      7.704 CV     1
 ASSI { 1387}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      4.800     2.900     1.200 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.38274E-03 ppm1      1.671 ppm2      7.981 CV     1
 ASSI { 1388}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.42897E-02 ppm1      1.671 ppm2      8.416 CV     1
 ASSI { 1391}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.11024E-01 ppm1      1.671 ppm2      4.393 CV     1
 ASSI { 1394}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HD1 ))
      4.000     2.000     2.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.59762E-03 ppm1      1.672 ppm2      3.445 CV     1
 ASSI { 1395}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HD2 ))
      3.500     1.500     1.500 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.66555E-03 ppm1      1.673 ppm2      3.298 CV     1
 ASSI { 1406}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.12348E-01 ppm1      1.541 ppm2      4.345 CV     1
 ASSI { 1407}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.56375E-02 ppm1      1.649 ppm2      4.278 CV     1
 ASSI { 1408}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HB  ))
      3.900     1.900     1.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.84415E-03 ppm1      1.651 ppm2      4.194 CV     1
 ASSI { 1401}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.50075E-02 ppm1      1.672 ppm2      1.127 CV     1
 ASSI { 1410}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      2.900     0.800     0.800 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.37386E-02 ppm1      1.573 ppm2      4.214 CV     1
 ASSI { 1411}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.95482E-02 ppm1      1.575 ppm2      4.467 CV     1
 ASSI { 1415}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      4.400     2.400     1.600 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.37901E-03 ppm1      1.614 ppm2      7.858 CV     1
 ASSI { 1417}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      2.600     0.900     0.900 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.49798E-02 ppm1      1.610 ppm2      7.751 CV     1
 ASSI { 1418}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      5.200     3.400     0.800 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.14900E-03 ppm1      1.674 ppm2      8.525 CV     1
 ASSI { 1427}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.19558E-02 ppm1      3.302 ppm2      7.533 CV     1
 ASSI { 1428}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.400     1.400     1.400 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.10122E-02 ppm1      3.301 ppm2      7.316 CV     1
 OR { 1428}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1430}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.800     1.800     1.800 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.11378E-02 ppm1      3.302 ppm2      9.016 CV     1
 OR { 1430}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HE  ))
 ASSI { 1436}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.900     0.800     0.800 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.38926E-02 ppm1      1.026 ppm2      2.210 CV     1
 ASSI { 1440}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      4.000     2.000     2.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.83566E-03 ppm1      0.878 ppm2      2.125 CV     1
 ASSI { 1443}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 43   and name HD2%)
      4.700     2.700     1.300 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.57820E-03 ppm1      1.511 ppm2      1.061 CV     1
 ASSI { 1450}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.33336E-02 ppm1      4.226 ppm2      8.144 CV     1
 ASSI { 1455}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     1.500     1.500 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.88679E-03 ppm1      4.289 ppm2      8.689 CV     1
 ASSI { 1460}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.37418E-02 ppm1      4.349 ppm2      8.251 CV     1
 ASSI { 1465}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB%  ))
      2.900     1.000     1.000 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.37418E-02 ppm1      4.349 ppm2      8.251 CV     1
 ASSI { 1466}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.500     2.500     1.500 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.42924E-03 ppm1      4.318 ppm2      1.919 CV     1
 ASSI { 1467}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.700     0.900     0.900 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.43087E-02 ppm1      4.311 ppm2      1.777 CV     1
 OR { 1467}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1468}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      2.200     0.600     0.600 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.13342E-01 ppm1      4.291 ppm2      1.609 CV     1
 ASSI { 1469}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.33039E-02 ppm1      4.312 ppm2      1.400 CV     1
 ASSI { 1470}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.600     0.900     0.900 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.46922E-02 ppm1      4.369 ppm2      1.217 CV     1
 ASSI { 1473}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.300     1.400     1.400 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.12922E-02 ppm1      4.293 ppm2      0.881 CV     1
 ASSI { 1481}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      4.600     2.700     1.400 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.60353E-03 ppm1      4.368 ppm2      0.798 CV     1
 ASSI { 1492}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.10356E-02 ppm1      4.367 ppm2      7.315 CV     1
 ASSI { 1493}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.23329E-02 ppm1      4.368 ppm2      8.213 CV     1
 ASSI { 1494}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.26157E-02 ppm1      4.365 ppm2      8.482 CV     1
 ASSI { 1495}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.300     2.400     1.700 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.39432E-03 ppm1      4.365 ppm2      8.607 CV     1
 ASSI { 1497}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.31852E-02 ppm1      4.292 ppm2      7.751 CV     1
 ASSI { 1498}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.47326E-02 ppm1      4.292 ppm2      7.971 CV     1
 ASSI { 1503}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
      3.000     1.100     1.100 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      3.986 ppm2      1.134 CV     1
 ASSI { 1504}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      3.400     1.400     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.14052E-02 ppm1      3.985 ppm2      1.220 CV     1
 ASSI { 1505}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.31219E-02 ppm1      3.988 ppm2      8.247 CV     1
 ASSI { 1506}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      3.987 ppm2      8.021 CV     1
 ASSI { 1510}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.900     1.100     1.100 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.20275E-02 ppm1      4.378 ppm2      8.144 CV     1
 ASSI { 1511}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.000     0.500     0.500 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.98414E-02 ppm1      4.375 ppm2      9.419 CV     1
 ASSI { 1512}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.44259E-02 ppm1      4.375 ppm2      1.496 CV     1
 ASSI { 1515}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.29253E-02 ppm1      4.319 ppm2      2.345 CV     1
 ASSI { 1516}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.800     2.900     1.200 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.32862E-03 ppm1      4.327 ppm2      2.620 CV     1
 ASSI { 1517}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.39321E-02 ppm1      4.319 ppm2      8.136 CV     1
 ASSI { 1518}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      4.500     2.600     1.500 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.23776E-03 ppm1      4.323 ppm2      8.329 CV     1
 ASSI { 1519}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.900     1.900     1.900 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.46018E-03 ppm1      4.321 ppm2      8.420 CV     1
 ASSI { 1520}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.400     1.400 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.11603E-02 ppm1      4.274 ppm2      8.963 CV     1
 ASSI { 1521}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.36190E-02 ppm1      4.273 ppm2      8.243 CV     1
 ASSI { 1522}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.400     1.400 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      4.277 ppm2      8.132 CV     1
 ASSI { 1524}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      4.100     2.100     1.900 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.75056E-03 ppm1      4.275 ppm2      8.032 CV     1
 ASSI { 1527}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      2.600     0.900     0.900 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.39438E-02 ppm1      4.531 ppm2      0.643 CV     1
 OR { 1527}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1528}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.500     0.800     0.800 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.48072E-02 ppm1      4.530 ppm2      1.578 CV     1
 OR { 1528}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1530}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.29954E-02 ppm1      4.531 ppm2      1.335 CV     1
 ASSI { 1533}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.11055E-01 ppm1      4.273 ppm2      1.651 CV     1
 ASSI { 1542}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.19371E-02 ppm1      4.405 ppm2      1.994 CV     1
 ASSI { 1545}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.100     0.500     0.500 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.73864E-02 ppm1      4.214 ppm2      1.570 CV     1
 ASSI { 1546}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      2.900     1.100     1.100 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.17454E-02 ppm1      4.215 ppm2      1.889 CV     1
 ASSI { 1547}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      3.000     1.100     1.100 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.27114E-02 ppm1      4.215 ppm2      1.843 CV     1
 ASSI { 1548}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.700     0.900     0.900 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.32451E-02 ppm1      4.383 ppm2      2.137 CV     1
 ASSI { 1550}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.700     0.900     0.900 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.32451E-02 ppm1      4.383 ppm2      2.270 CV     1
 ASSI { 1552}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.500     0.800     0.800 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.41918E-02 ppm1      4.477 ppm2      2.230 CV     1
 ASSI { 1553}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.000     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.25905E-02 ppm1      4.475 ppm2      2.394 CV     1
 OR { 1553}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1554}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.400     1.400     1.400 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.541 CV     1
 ASSI { 1556}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.700     1.700     1.700 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.21407E-02 ppm1      3.956 ppm2      2.219 CV     1
 ASSI { 1557}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.40647E-02 ppm1      3.301 ppm2      2.016 CV     1
 ASSI { 1559}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.200     1.300     1.300 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.15314E-02 ppm1      3.299 ppm2      1.183 CV     1
 ASSI { 1560}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.21918E-02 ppm1      3.299 ppm2      1.014 CV     1
 ASSI { 1561}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.28623E-02 ppm1      3.301 ppm2      2.244 CV     1
 OR { 1561}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 1565}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.26579E-02 ppm1      3.956 ppm2      8.733 CV     1
 ASSI { 1566}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.300     1.300 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.10653E-02 ppm1      3.957 ppm2      8.419 CV     1
 ASSI { 1569}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.100     0.600     0.600 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.91044E-02 ppm1      3.956 ppm2      1.532 CV     1
 ASSI { 1574}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.200     0.600     0.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.52510E-02 ppm1      3.957 ppm2      0.852 CV     1
 ASSI { 1580}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.200     0.600     0.600 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.66865E-02 ppm1      4.404 ppm2      0.758 CV     1
 ASSI { 1582}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.30223E-02 ppm1      4.405 ppm2      1.418 CV     1
 ASSI { 1583}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      4.100     2.100     1.900 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.66982E-03 ppm1      4.405 ppm2      6.735 CV     1
 ASSI { 1584}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.23164E-02 ppm1      4.405 ppm2      8.413 CV     1
 ASSI { 1585}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.90063E-03 ppm1      4.404 ppm2      8.520 CV     1
 ASSI { 1586}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.27581E-02 ppm1      4.448 ppm2      8.819 CV     1
 ASSI { 1588}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.200     1.300     1.300 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.11504E-02 ppm1      3.905 ppm2      6.733 CV     1
 ASSI { 1590}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.500     0.800     0.800 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.63858E-02 ppm1      4.451 ppm2      2.822 CV     1
 ASSI { 1595}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.800     1.800     1.800 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.20757E-02 ppm1      4.488 ppm2      3.086 CV     1
 ASSI { 1598}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.11280E-02 ppm1      4.491 ppm2      8.885 CV     1
 ASSI { 1604}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.600     0.900     0.900 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.26159E-02 ppm1      3.903 ppm2      4.416 CV     1
 ASSI { 1605}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.600     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.24403E-02 ppm1      3.896 ppm2      2.193 CV     1
 ASSI { 1613}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.300     1.300     1.300 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.23819E-02 ppm1      4.101 ppm2      0.968 CV     1
 ASSI { 1614}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.33880E-02 ppm1      4.102 ppm2      1.347 CV     1
 ASSI { 1615}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.40772E-02 ppm1      4.101 ppm2      1.607 CV     1
 ASSI { 1616}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.64322E-02 ppm1      4.101 ppm2      1.890 CV     1
 ASSI { 1618}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
      3.800     1.800     1.800 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.10777E-02 ppm1      4.100 ppm2      3.016 CV     1
 ASSI { 1619}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      4.100     2.100     1.900 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.40798E-03 ppm1      4.103 ppm2      7.982 CV     1
 ASSI { 1620}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.51323E-02 ppm1      4.102 ppm2      8.106 CV     1
 ASSI { 1625}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      2.900     1.000     1.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.17550E-02 ppm1      3.900 ppm2      0.198 CV     1
 ASSI { 1626}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      4.500     2.500     1.500 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.52205E-03 ppm1      3.900 ppm2      1.346 CV     1
 ASSI { 1629}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.40062E-02 ppm1      4.582 ppm2      2.789 CV     1
 ASSI { 1631}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.700     0.900     0.900 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.24785E-02 ppm1      4.584 ppm2      6.969 CV     1
 ASSI { 1640}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.000     1.100     1.100 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.22117E-02 ppm1      4.314 ppm2      2.429 CV     1
 ASSI { 1643}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      3.000     1.100     1.100 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.21994E-02 ppm1      4.323 ppm2      7.437 CV     1
 ASSI { 1644}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.100     1.100 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.13639E-02 ppm1      4.315 ppm2      7.705 CV     1
 ASSI { 1645}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.77960E-03 ppm1      4.216 ppm2      7.703 CV     1
 ASSI { 1646}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.32642E-02 ppm1      4.274 ppm2      7.791 CV     1
 ASSI { 1655}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.49474E-02 ppm1      4.205 ppm2      8.232 CV     1
 ASSI { 1658}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.300     1.300 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      4.243 ppm2      7.703 CV     1
 ASSI { 1663}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.700     0.900     0.900 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.49803E-02 ppm1      4.205 ppm2      2.397 CV     1
 ASSI { 1665}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.900     0.900 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.62554E-02 ppm1      4.204 ppm2      2.140 CV     1
 ASSI { 1667}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.67935E-02 ppm1      4.679 ppm2      2.127 CV     1
 ASSI { 1668}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      2.300     0.700     0.700 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.96875E-02 ppm1      4.679 ppm2      0.962 CV     1
 ASSI { 1669}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.500     0.800     0.800 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.37017E-02 ppm1      4.687 ppm2      3.448 CV     1
 ASSI { 1670}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.300     0.700     0.700 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.59063E-02 ppm1      4.685 ppm2      7.439 CV     1
 ASSI { 1671}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.100     0.600     0.600 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.10578E-01 ppm1      4.678 ppm2      8.487 CV     1
 ASSI { 1674}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.40458E-02 ppm1      4.298 ppm2      8.592 CV     1
 ASSI { 1675}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.24973E-02 ppm1      4.297 ppm2      8.212 CV     1
 ASSI { 1676}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.15895E-02 ppm1      4.298 ppm2      7.305 CV     1
 ASSI { 1677}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.49362E-03 ppm1      4.298 ppm2      7.187 CV     1
 ASSI { 1679}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.100     0.600     0.600 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.14587E-01 ppm1      4.298 ppm2      4.009 CV     1
 OR { 1679}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1680}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.900     1.100     1.100 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.19261E-02 ppm1      4.298 ppm2      3.192 CV     1
 OR { 1680}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1681}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      3.000     1.100     1.100 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.45380E-02 ppm1      4.106 ppm2      0.922 CV     1
 ASSI { 1684}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.11100E-02 ppm1      4.033 ppm2      1.033 CV     1
 ASSI { 1685}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.36903E-02 ppm1      4.033 ppm2      1.673 CV     1
 ASSI { 1686}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.300     0.600     0.600 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.92315E-02 ppm1      4.033 ppm2      2.027 CV     1
 OR { 1686}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1687}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.000     1.100     1.100 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.30900E-02 ppm1      4.033 ppm2      1.924 CV     1
 ASSI { 1688}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.500     0.800     0.800 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.33667E-02 ppm1      4.033 ppm2      2.271 CV     1
 ASSI { 1689}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.200     0.600     0.600 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.57323E-02 ppm1      4.106 ppm2      2.326 CV     1
 ASSI { 1690}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.400     0.700     0.700 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.35970E-02 ppm1      4.106 ppm2      2.491 CV     1
 ASSI { 1691}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.31715E-02 ppm1      4.106 ppm2      2.748 CV     1
 ASSI { 1693}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.24137E-02 ppm1      4.106 ppm2      7.492 CV     1
 ASSI { 1694}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.16224E-02 ppm1      4.105 ppm2      8.027 CV     1
 ASSI { 1697}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.36736E-02 ppm1      4.033 ppm2      7.992 CV     1
 ASSI { 1698}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.32848E-02 ppm1      4.106 ppm2      8.961 CV     1
 ASSI { 1701}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.11345E-02 ppm1      4.034 ppm2      8.511 CV     1
 ASSI { 1702}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.11683E-02 ppm1      4.033 ppm2      7.705 CV     1
 ASSI { 1703}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.600     0.900     0.900 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.23645E-02 ppm1      3.610 ppm2      1.857 CV     1
 ASSI { 1704}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.400     1.400     1.400 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.27642E-02 ppm1      3.610 ppm2      2.196 CV     1
 ASSI { 1705}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.43085E-02 ppm1      3.611 ppm2      1.644 CV     1
 OR { 1705}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI { 1707}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      4.100     2.100     1.900 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.43317E-03 ppm1      3.609 ppm2      0.875 CV     1
 ASSI { 1711}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.22837E-02 ppm1      3.612 ppm2      9.012 CV     1
 OR { 1711}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HE  ))
 ASSI { 1713}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      4.577 ppm2      4.147 CV     1
 ASSI { 1714}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.700     0.900     0.900 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.45224E-02 ppm1      4.579 ppm2      4.053 CV     1
 ASSI { 1715}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.400     0.700     0.700 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.63159E-02 ppm1      4.361 ppm2      2.263 CV     1
 ASSI { 1716}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.000     1.100     1.100 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.46117E-02 ppm1      4.360 ppm2      2.479 CV     1
 OR { 1716}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1717}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.62999E-02 ppm1      4.360 ppm2      2.125 CV     1
 ASSI { 1718}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.11909E-02 ppm1      4.361 ppm2      7.544 CV     1
 ASSI { 1720}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.400     1.400 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.79015E-03 ppm1      4.362 ppm2      8.051 CV     1
 ASSI { 1721}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.23699E-02 ppm1      4.688 ppm2      8.156 CV     1
 ASSI { 1723}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      4.500     2.500     1.500 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.54161E-03 ppm1      1.520 ppm2      8.250 CV     1
 ASSI { 1730}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.500     0.500 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.12974E-01 ppm1      1.630 ppm2      4.457 CV     1
 ASSI { 1737}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.000     1.100     1.100 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.14041E-02 ppm1      3.516 ppm2      7.331 CV     1
 ASSI { 1738}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      4.500     2.500     1.500 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.68831E-03 ppm1      3.515 ppm2      3.178 CV     1
 OR { 1738}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1739}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.300     0.700     0.700 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.63525E-02 ppm1      3.516 ppm2      2.032 CV     1
 OR { 1739}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1747}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.400     1.400 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.10192E-02 ppm1      4.267 ppm2      8.440 CV     1
 ASSI { 1752}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.42627E-02 ppm1      3.914 ppm2      2.271 CV     1
 ASSI { 1753}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.200     0.600     0.600 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.44753E-02 ppm1      4.237 ppm2      2.252 CV     1
 ASSI { 1754}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.700     0.900     0.900 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.21971E-02 ppm1      4.239 ppm2      2.432 CV     1
 ASSI { 1755}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.18066E-02 ppm1      4.236 ppm2      1.694 CV     1
 ASSI { 1758}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.100     1.200     1.200 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.20161E-02 ppm1      4.234 ppm2      2.020 CV     1
 ASSI { 1761}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.000     1.100     1.100 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.22201E-02 ppm1      4.237 ppm2      1.112 CV     1
 ASSI { 1765}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HG2 ))
      1.800     0.400     0.400 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.64974E-02 ppm1      2.203 ppm2      1.342 CV     1
 ASSI { 1768}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.000     0.500     0.500 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.11461E-01 ppm1      2.052 ppm2      0.863 CV     1
 ASSI { 1770}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.15042E-02 ppm1      2.047 ppm2      1.428 CV     1
 ASSI { 1772}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 13   and name HB% )
      3.500     1.500     1.500 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.14166E-02 ppm1      2.047 ppm2      1.666 CV     1
 ASSI { 1775}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.24248E-02 ppm1      1.693 ppm2      2.193 CV     1
 ASSI { 1776}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.200     0.600     0.600 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.58383E-02 ppm1      4.237 ppm2      6.887 CV     1
 ASSI { 1779}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.37030E-02 ppm1      3.914 ppm2      8.509 CV     1
 ASSI { 1780}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     0.900     0.900 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.21709E-02 ppm1      4.179 ppm2      8.940 CV     1
 ASSI { 1784}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.600     1.500 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.49320E-03 ppm1      4.351 ppm2      7.786 CV     1
 ASSI { 1785}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.67508E-03 ppm1      4.180 ppm2      7.787 CV     1
 ASSI { 1786}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.200     1.200 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      4.240 ppm2      7.707 CV     1
 ASSI { 1788}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      4.100     2.100     1.900 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.94201E-03 ppm1      4.241 ppm2      1.342 CV     1
 ASSI { 1789}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.800     0.800 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.39653E-02 ppm1      4.264 ppm2      4.350 CV     1
 ASSI { 1790}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.600     0.800     0.800 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.90908E-02 ppm1      4.266 ppm2      4.191 CV     1
 ASSI { 1795}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.32020E-02 ppm1      4.384 ppm2      8.033 CV     1
 ASSI { 1796}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.32020E-02 ppm1      4.384 ppm2      8.033 CV     1
 ASSI { 1797}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.71411E-02 ppm1      4.519 ppm2      8.500 CV     1
 ASSI { 1798}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.100     1.100 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.23228E-02 ppm1      4.518 ppm2      8.256 CV     1
 ASSI { 1800}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.16829E-02 ppm1      4.469 ppm2      7.281 CV     1
 ASSI { 1801}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.400     0.700     0.700 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.46015E-02 ppm1      4.467 ppm2      2.409 CV     1
 ASSI { 1802}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      4.000     2.000     2.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.87887E-03 ppm1      4.467 ppm2      2.275 CV     1
 ASSI { 1803}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.37613E-02 ppm1      4.669 ppm2      2.461 CV     1
 ASSI { 1805}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.900     1.100     1.100 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.52158E-02 ppm1      4.518 ppm2      1.234 CV     1
 ASSI { 1807}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      4.500     2.600     1.500 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.99732E-03 ppm1      4.667 ppm2      0.866 CV     1
 ASSI { 1811}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      3.000     1.100     1.100 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.18074E-02 ppm1      4.388 ppm2      1.819 CV     1
 ASSI { 1812}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.100     0.600     0.600 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.75675E-02 ppm1      4.532 ppm2      2.542 CV     1
 ASSI { 1813}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.600     0.800     0.800 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.63651E-02 ppm1      4.531 ppm2      2.065 CV     1
 ASSI { 1816}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.17463E-02 ppm1      4.389 ppm2      3.096 CV     1
 ASSI { 1817}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.26301E-02 ppm1      4.390 ppm2      3.603 CV     1
 ASSI { 1819}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.50474E-02 ppm1      4.389 ppm2      7.125 CV     1
 ASSI { 1820}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.000     0.500     0.500 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.16053E-01 ppm1      4.400 ppm2      8.146 CV     1
 ASSI { 1822}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.94084E-02 ppm1      4.335 ppm2      8.611 CV     1
 ASSI { 1823}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.31788E-02 ppm1      4.337 ppm2      8.141 CV     1
 ASSI { 1824}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.500     0.500 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.12051E-01 ppm1      4.532 ppm2      8.821 CV     1
 ASSI { 1825}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.66902E-02 ppm1      4.113 ppm2      8.033 CV     1
 OR { 1825}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1826}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.600     1.500 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.64810E-03 ppm1      4.114 ppm2      8.978 CV     1
 OR { 1826}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1832}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.10063E-02 ppm1      4.381 ppm2      9.550 CV     1
 ASSI { 1834}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG1 ))
      3.000     1.100     1.100 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.32234E-02 ppm1      4.533 ppm2      2.121 CV     1
 OR { 1834}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 1835}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.600     0.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.12893E-01 ppm1      4.111 ppm2      4.378 CV     1
 OR { 1835}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1839}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      3.000     1.200     1.200 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.30400E-02 ppm1      3.805 ppm2      8.486 CV     1
 ASSI { 1840}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.500     0.800     0.800 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.32389E-02 ppm1      3.756 ppm2      8.485 CV     1
 ASSI { 1841}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.13492E-02 ppm1      4.029 ppm2      8.593 CV     1
 ASSI { 1842}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.800 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.14915E-02 ppm1      3.984 ppm2      8.592 CV     1
 ASSI { 1844}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.23090E-02 ppm1      3.984 ppm2      8.213 CV     1
 ASSI { 1849}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.28611E-02 ppm1      3.812 ppm2      7.400 CV     1
 ASSI { 1850}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      3.500     1.500     1.500 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.67939E-03 ppm1      4.148 ppm2      6.737 CV     1
 ASSI { 1852}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.58153E-03 ppm1      4.064 ppm2      6.740 CV     1
 ASSI { 1856}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.000     1.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.19961E-02 ppm1      3.805 ppm2      4.827 CV     1
 ASSI { 1858}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.19158E-02 ppm1      3.756 ppm2      4.826 CV     1
 ASSI { 1866}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.22372E-02 ppm1      3.748 ppm2      1.729 CV     1
 ASSI { 1868}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.600     1.600     1.600 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.81511E-03 ppm1      3.814 ppm2      3.257 CV     1
 OR { 1868}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 1869}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      2.700     0.900     0.900 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.31712E-02 ppm1      3.747 ppm2      1.291 CV     1
 ASSI { 1871}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.300     0.700     0.700 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.85827E-02 ppm1      3.813 ppm2      1.015 CV     1
 OR { 1871}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1876}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      2.300     0.700     0.700 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.46297E-02 ppm1      3.747 ppm2      0.805 CV     1
 ASSI { 1884}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.18685E-02 ppm1      4.228 ppm2      8.612 CV     1
 ASSI { 1885}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.200     1.200 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.19285E-02 ppm1      4.374 ppm2      8.251 CV     1
 ASSI { 1886}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.33061E-02 ppm1      4.376 ppm2      8.498 CV     1
 ASSI { 1887}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.37816E-02 ppm1      4.377 ppm2      4.512 CV     1
 ASSI { 1895}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.80277E-02 ppm1      4.192 ppm2      4.390 CV     1
 ASSI { 1897}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      4.000     2.000     2.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.43862E-03 ppm1      4.193 ppm2      8.683 CV     1
 ASSI { 1899}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.25255E-02 ppm1      5.266 ppm2      9.164 CV     1
 ASSI { 1902}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.15751E-02 ppm1      5.267 ppm2      7.142 CV     1
 ASSI { 1903}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.500     0.800     0.800 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.43492E-02 ppm1      5.267 ppm2      3.008 CV     1
 ASSI { 1904}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.100     1.100 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.42179E-02 ppm1      5.266 ppm2      2.874 CV     1
 ASSI { 1907}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.100     1.100 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.12574E-02 ppm1      4.271 ppm2      2.747 CV     1
 ASSI { 1908}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.300     0.700     0.700 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.85588E-02 ppm1      4.529 ppm2      2.828 CV     1
 ASSI { 1909}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.500     0.800     0.800 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.85827E-02 ppm1      4.529 ppm2      2.742 CV     1
 ASSI { 1910}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.900     1.900     1.900 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.16406E-02 ppm1      4.273 ppm2      2.488 CV     1
 ASSI { 1911}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.900     1.000     1.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.36599E-02 ppm1      4.274 ppm2      2.352 CV     1
 OR { 1911}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1912}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.500     1.500 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.71261E-03 ppm1      4.404 ppm2      2.133 CV     1
 ASSI { 1913}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      3.500     1.500     1.500 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.15365E-02 ppm1      4.403 ppm2      2.257 CV     1
 ASSI { 1916}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     0.800     0.800 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.44229E-02 ppm1      4.529 ppm2      8.613 CV     1
 ASSI { 1918}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.94098E-03 ppm1      4.405 ppm2      8.225 CV     1
 ASSI { 1920}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      3.500     1.600     1.600 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.12648E-02 ppm1      4.534 ppm2      1.408 CV     1
 ASSI { 1922}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.800     1.000     1.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.16472E-02 ppm1      4.734 ppm2      1.617 CV     1
 ASSI { 1923}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.35076E-02 ppm1      4.624 ppm2      1.855 CV     1
 ASSI { 1924}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.500     0.800     0.800 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.48672E-02 ppm1      4.624 ppm2      1.746 CV     1
 OR { 1924}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1926}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.200     1.300     1.300 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.20495E-02 ppm1      4.740 ppm2      1.916 CV     1
 ASSI { 1927}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.400     0.700     0.700 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.45853E-02 ppm1      4.624 ppm2      2.078 CV     1
 ASSI { 1928}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.26458E-02 ppm1      4.739 ppm2      2.168 CV     1
 ASSI { 1930}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.200     0.600     0.600 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.13308E-01 ppm1      4.731 ppm2      2.830 CV     1
 OR { 1930}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1931}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.67160E-02 ppm1      4.475 ppm2      8.252 CV     1
 ASSI { 1933}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.35102E-02 ppm1      4.475 ppm2      8.507 CV     1
 ASSI { 1936}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.21058E-02 ppm1      4.631 ppm2      8.287 CV     1
 ASSI { 1937}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.21058E-02 ppm1      4.631 ppm2      8.287 CV     1
 ASSI { 1940}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.44733E-03 ppm1      4.633 ppm2      7.201 CV     1
 ASSI { 1941}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HD2 ))
      2.800     1.000     1.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.40534E-02 ppm1      4.655 ppm2      3.563 CV     1
 ASSI { 1942}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HD1 ))
      2.000     0.500     0.500 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.72358E-02 ppm1      4.656 ppm2      4.007 CV     1
 ASSI { 1943}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.400     0.700     0.700 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.77650E-02 ppm1      4.630 ppm2      2.713 CV     1
 OR { 1943}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 1947}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.400     0.700     0.700 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.46390E-02 ppm1      4.760 ppm2      3.010 CV     1
 ASSI { 1948}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.53077E-02 ppm1      4.759 ppm2      3.292 CV     1
 ASSI { 1949}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.000     1.100     1.100 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.33873E-02 ppm1      4.761 ppm2      1.778 CV     1
 OR { 1949}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1951}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      4.600     2.600     1.400 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.66682E-03 ppm1      4.765 ppm2      0.951 CV     1
 ASSI { 1958}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.900     1.900     1.900 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.12107E-02 ppm1      4.760 ppm2      7.314 CV     1
 ASSI { 1959}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.900     1.900     1.900 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.74540E-03 ppm1      4.631 ppm2      7.314 CV     1
 OR { 1959}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 1963}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.91166E-02 ppm1      1.218 ppm2      2.407 CV     1
 ASSI { 1964}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.10078E-02 ppm1      1.220 ppm2      2.275 CV     1
 ASSI { 1966}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.71509E-02 ppm1      1.041 ppm2      3.911 CV     1
 ASSI { 1967}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.30461E-02 ppm1      1.220 ppm2      1.699 CV     1
 ASSI { 1974}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      3.960 ppm2      8.324 CV     1
 ASSI { 1979}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.23472E-02 ppm1      4.327 ppm2      8.287 CV     1
 ASSI { 1980}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.12676E-02 ppm1      3.870 ppm2      8.090 CV     1
 ASSI { 1981}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.38789E-03 ppm1      3.870 ppm2      8.291 CV     1
 ASSI { 1982}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      4.200     2.200     1.800 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.43609E-03 ppm1      3.870 ppm2      7.349 CV     1
 OR { 1982}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 1983}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 30   and name HZ  ))
      4.600     2.700     1.400 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.37301E-03 ppm1      4.332 ppm2      7.327 CV     1
 OR { 1983}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 1984}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.38855E-03 ppm1      4.327 ppm2      7.199 CV     1
 ASSI { 1985}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.49160E-03 ppm1      3.960 ppm2      8.131 CV     1
 ASSI { 1990}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.800     1.000     1.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.17710E-02 ppm1      3.870 ppm2      2.343 CV     1
 ASSI { 2001}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.40946E-02 ppm1      4.421 ppm2      1.115 CV     1
 ASSI { 2002}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.600     0.800     0.800 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.46391E-02 ppm1      3.959 ppm2      1.116 CV     1
 ASSI { 2007}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      3.400     1.400     1.400 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.11356E-02 ppm1      3.962 ppm2      4.421 CV     1
 ASSI { 2015}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.46450E-02 ppm1      4.459 ppm2      7.604 CV     1
 ASSI { 2016}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.23724E-02 ppm1      4.528 ppm2      7.397 CV     1
 ASSI { 2019}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.200     1.300     1.300 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.15410E-02 ppm1      4.460 ppm2      8.291 CV     1
 ASSI { 2020}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.68530E-03 ppm1      4.459 ppm2      7.770 CV     1
 ASSI { 2023}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      3.100     1.200     1.200 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.17151E-02 ppm1      4.203 ppm2      1.487 CV     1
 ASSI { 2024}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.500     1.500     1.500 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.11295E-02 ppm1      4.371 ppm2      3.006 CV     1
 ASSI { 2026}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.300     2.300     1.700 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.77406E-03 ppm1      4.457 ppm2      2.131 CV     1
 ASSI { 2028}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.900     1.900     1.900 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.66025E-03 ppm1      4.458 ppm2      2.482 CV     1
 ASSI { 2029}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.54353E-02 ppm1      4.718 ppm2      2.756 CV     1
 ASSI { 2030}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.100     0.600     0.600 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.15283E-01 ppm1      4.724 ppm2      8.488 CV     1
 ASSI { 2031}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     0.900     0.900 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.34777E-02 ppm1      4.721 ppm2      8.614 CV     1
 ASSI { 2032}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.600     0.800     0.800 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.57806E-02 ppm1      5.048 ppm2      3.027 CV     1
 ASSI { 2033}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.000     1.100     1.100 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.21256E-02 ppm1      5.048 ppm2      2.353 CV     1
 ASSI { 2038}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.29843E-02 ppm1      1.131 ppm2      1.698 CV     1
 ASSI { 2040}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      4.000     2.000     2.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.51285E-03 ppm1      3.874 ppm2      1.134 CV     1
 ASSI { 2047}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.18356E-02 ppm1      2.404 ppm2      8.500 CV     1
 OR { 2047}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 2048}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.800     1.800     1.800 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.17873E-02 ppm1      2.605 ppm2      8.514 CV     1
 ASSI { 2050}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.31689E-02 ppm1      2.487 ppm2      9.558 CV     1
 OR { 2050}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 2051}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.900     1.900     1.900 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      2.464 ppm2      7.749 CV     1
 ASSI { 2052}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HN  ))
      3.900     1.900     1.900 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      2.464 ppm2      7.749 CV     1
 ASSI { 2053}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
      3.100     1.200     1.200 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.16143E-02 ppm1      2.540 ppm2      4.384 CV     1
 ASSI { 2060}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 21   and name HG2%)
      4.800     2.900     1.200 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.36967E-03 ppm1      2.401 ppm2      1.229 CV     1
 ASSI { 2063}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.900     0.900 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.50272E-02 ppm1      3.886 ppm2      8.020 CV     1
 ASSI { 2065}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.600     0.800     0.800 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.47692E-02 ppm1      3.454 ppm2      7.435 CV     1
 ASSI { 2068}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.500     1.500 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.20494E-02 ppm1      3.454 ppm2      8.144 CV     1
 ASSI { 2069}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HE% )
      4.600     2.600     1.400 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.44084E-03 ppm1      3.453 ppm2      6.815 CV     1
 ASSI { 2070}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.700     2.700     1.300 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.43303E-03 ppm1      2.801 ppm2      6.813 CV     1
 ASSI { 2071}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.800     1.800     1.800 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.71209E-03 ppm1      2.800 ppm2      4.686 CV     1
 ASSI { 2082}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG12))
      3.200     1.200     1.200 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.13647E-02 ppm1      2.453 ppm2      1.541 CV     1
 ASSI { 2083}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      3.800     1.800     1.800 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.48494E-03 ppm1      2.449 ppm2      1.267 CV     1
 ASSI { 2085}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      4.600     2.700     1.400 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.73011E-03 ppm1      2.459 ppm2      4.382 CV     1
 ASSI { 2087}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 40   and name HD% )
      4.100     2.100     1.900 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.43720E-03 ppm1      2.465 ppm2      6.965 CV     1
 ASSI { 2090}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.200     1.300     1.300 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.13082E-02 ppm1      2.894 ppm2      4.848 CV     1
 ASSI { 2091}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.200     1.300     1.300 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.14048E-02 ppm1      2.681 ppm2      4.848 CV     1
 ASSI { 2094}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     0.900     0.900 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.26363E-02 ppm1      2.776 ppm2      8.713 CV     1
 ASSI { 2095}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.38517E-02 ppm1      2.718 ppm2      8.712 CV     1
 ASSI { 2098}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.400     1.400 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.20607E-02 ppm1      2.834 ppm2      8.610 CV     1
 ASSI { 2099}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.19320E-02 ppm1      2.741 ppm2      8.609 CV     1
 ASSI { 2102}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      4.000     2.000     2.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.44923E-03 ppm1      1.445 ppm2      7.312 CV     1
 OR { 2102}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2103}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG12))
      3.100     1.200     1.200 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.20029E-02 ppm1      1.797 ppm2      1.108 CV     1
 ASSI { 2104}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
      2.400     0.700     0.700 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.60269E-02 ppm1      1.797 ppm2      1.024 CV     1
 ASSI { 2105}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      2.600     0.800     0.800 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.36081E-02 ppm1      1.797 ppm2      0.842 CV     1
 ASSI { 2106}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG11))
      2.400     0.700     0.700 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.37845E-02 ppm1      1.810 ppm2      1.491 CV     1
 ASSI { 2107}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      2.700     0.900     0.900 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.38506E-02 ppm1      1.880 ppm2      1.030 CV     1
 OR { 2107}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2107}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2107}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2108}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.800     0.800 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.24978E-02 ppm1      2.875 ppm2      9.167 CV     1
 ASSI { 2109}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.800     0.800 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.24978E-02 ppm1      2.875 ppm2      9.167 CV     1
 ASSI { 2110}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.800     1.800 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.84424E-03 ppm1      3.096 ppm2      4.100 CV     1
 ASSI { 2111}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.800     1.800 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.84424E-03 ppm1      3.096 ppm2      4.100 CV     1
 ASSI { 2112}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 56   and name HE% )
      3.000     1.200     1.200 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.11296E-02 ppm1      3.095 ppm2      6.815 CV     1
 ASSI { 2113}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 56   and name HE% )
      3.400     3.400     2.600 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.11374E-02 ppm1      3.016 ppm2      6.815 CV     1
 ASSI { 2115}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.13407E-02 ppm1      3.351 ppm2      8.016 CV     1
 OR { 2115}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 2120}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.300     1.700 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.79499E-03 ppm1      3.441 ppm2      7.563 CV     1
 ASSI { 2121}
   (( segid "    " and resid 11   and name HD1 ))
   (  segid "    " and resid 30   and name HD% )
      2.900     1.100     1.100 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.29651E-02 ppm1      3.235 ppm2      7.311 CV     1
 OR { 2121}
   (( segid "    " and resid 11   and name HD2 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 2124}
   (( segid "    " and resid 11   and name HD1 ))
   (  segid "    " and resid 30   and name HE% )
      3.100     1.200     1.200 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.12591E-02 ppm1      3.177 ppm2      7.198 CV     1
 OR { 2124}
   (( segid "    " and resid 11   and name HD2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2136}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.45455E-02 ppm1      3.884 ppm2      8.587 CV     1
 ASSI { 2138}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.37351E-02 ppm1      4.243 ppm2      8.584 CV     1
 ASSI { 2139}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      4.300     2.300     1.700 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.11531E-02 ppm1      4.266 ppm2      8.041 CV     1
 ASSI { 2140}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.500     1.500 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.11474E-02 ppm1      3.887 ppm2      7.497 CV     1
 ASSI { 2141}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.79578E-03 ppm1      4.129 ppm2      7.483 CV     1
 ASSI { 2145}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     0.700     0.700 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.34875E-02 ppm1      4.122 ppm2      8.019 CV     1
 ASSI { 2146}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HA1 ))
      1.700     0.400     0.500 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.17194E-01 ppm1      3.890 ppm2      4.254 CV     1
 ASSI { 2147}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HA1 ))
      1.600     0.300     0.600 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.16124E-01 ppm1      3.887 ppm2      4.115 CV     1
 ASSI { 2151}
   (  segid "    " and resid 19   and name HA1)
   (( segid "    " and resid 18   and name HB%))
      3.000     1.900     2.800 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 OR { 2481}
   (  segid "    " and resid 19   and name HA2)
   (( segid "    " and resid 18   and name HB%))
 ASSI { 2158}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.10656E-02 ppm1      3.103 ppm2      9.562 CV     1
 ASSI { 2164}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      3.610 ppm2      7.122 CV     1
 ASSI { 2166}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.500     0.800     0.800 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.29390E-02 ppm1      3.100 ppm2      7.124 CV     1
 ASSI { 2169}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      1.800     0.400     0.400 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.80043E-02 ppm1      3.101 ppm2      3.604 CV     1
 ASSI { 2173}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB1 ))
      3.300     1.300     1.300 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.12839E-02 ppm1      3.609 ppm2      2.991 CV     1
 ASSI { 2175}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      1.900     0.400     0.400 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.83927E-02 ppm1      3.090 ppm2      2.773 CV     1
 ASSI { 2177}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      4.200     2.200     1.800 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.53443E-03 ppm1      3.103 ppm2      0.365 CV     1
 ASSI { 2180}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD22))
      3.500     1.500     1.500 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.21161E-02 ppm1      2.776 ppm2      7.669 CV     1
 ASSI { 2184}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.48954E-03 ppm1      3.089 ppm2      4.928 CV     1
 ASSI { 2185}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.600     1.600 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.91654E-03 ppm1      2.775 ppm2      4.898 CV     1
 ASSI { 2196}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.700     0.700 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.44457E-02 ppm1      1.948 ppm2      8.282 CV     1
 ASSI { 2200}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.14321E-02 ppm1      2.488 ppm2      7.830 CV     1
 ASSI { 2201}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.700     2.800     1.300 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.40017E-03 ppm1      2.639 ppm2      7.708 CV     1
 ASSI { 2203}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.57717E-03 ppm1      2.490 ppm2      7.471 CV     1
 ASSI { 2204}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      4.400     2.500     1.600 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.58965E-03 ppm1      2.484 ppm2      7.709 CV     1
 ASSI { 2206}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.23586E-02 ppm1      2.403 ppm2      4.196 CV     1
 ASSI { 2207}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.20070E-02 ppm1      2.490 ppm2      4.236 CV     1
 ASSI { 2208}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.12195E-02 ppm1      1.948 ppm2      3.886 CV     1
 ASSI { 2209}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.18448E-02 ppm1      1.947 ppm2      3.744 CV     1
 ASSI { 2211}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
      3.500     1.500     1.500 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      1.952 ppm2      0.612 CV     1
 ASSI { 2214}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      4.400     2.400     1.600 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.92831E-03 ppm1      2.485 ppm2      1.117 CV     1
 ASSI { 2216}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HB2 ))
      1.600     0.300     0.600 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.12685E-01 ppm1      3.454 ppm2      2.793 CV     1
 ASSI { 2218}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HB2 ))
      2.300     0.700     0.700 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.43634E-02 ppm1      7.442 ppm2      2.793 CV     1
 ASSI { 2228}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
      3.200     1.300     1.300 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.12500E-02 ppm1      7.442 ppm2      0.644 CV     1
 OR { 2228}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2232}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 56   and name HE% )
      2.000     0.500     0.500 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.10767E-01 ppm1      7.442 ppm2      6.811 CV     1
 ASSI { 2233}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.000     1.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.25643E-02 ppm1      7.442 ppm2      8.145 CV     1
 ASSI { 2234}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.27194E-02 ppm1      7.317 ppm2      8.069 CV     1
 ASSI { 2241}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD1%)
      3.700     1.700     1.700 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.92465E-03 ppm1      7.315 ppm2      0.691 CV     1
 ASSI { 2242}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD1%)
      4.700     2.800     1.300 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.36464E-03 ppm1      7.315 ppm2      0.443 CV     1
 ASSI { 2247}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.400     1.400     1.400 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.15939E-02 ppm1      6.974 ppm2      0.876 CV     1
 ASSI { 2251}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      4.400     2.400     1.600 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.79475E-03 ppm1      6.972 ppm2      4.374 CV     1
 ASSI { 2252}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.72485E-03 ppm1      6.974 ppm2      3.904 CV     1
 ASSI { 2254}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 40   and name HE% )
      1.800     0.400     0.400 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.18774E-01 ppm1      6.974 ppm2      6.733 CV     1
 ASSI { 2255}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.16201E-02 ppm1      6.974 ppm2      8.048 CV     1
 ASSI { 2262}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.35783E-02 ppm1      7.218 ppm2      7.320 CV     1
 OR { 2262}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2263}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 35   and name HE% )
      2.100     0.500     0.500 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.86897E-02 ppm1      7.128 ppm2      6.924 CV     1
 ASSI { 2274}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.80943E-03 ppm1      6.937 ppm2      4.231 CV     1
 ASSI { 2277}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG2%)
      3.500     1.500     1.500 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.56263E-03 ppm1      6.934 ppm2      1.219 CV     1
 ASSI { 2287}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.24892E-02 ppm1      6.820 ppm2      0.649 CV     1
 OR { 2287}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2289}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      4.200     2.200     1.800 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.76876E-03 ppm1      6.742 ppm2      1.415 CV     1
 ASSI { 2293}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      2.700     0.900     0.900 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.27193E-02 ppm1      6.742 ppm2      0.768 CV     1
 ASSI { 2296}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 13   and name HB% )
      4.200     2.200     1.800 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.93821E-03 ppm1      6.822 ppm2      1.634 CV     1
 ASSI { 2299}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD1 ))
      3.300     1.400     1.400 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.82670E-03 ppm1      6.821 ppm2      3.083 CV     1
 OR { 2299}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
 ASSI { 2302}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.91353E-03 ppm1      6.822 ppm2      4.318 CV     1
 ASSI { 2303}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      4.300     2.300     1.700 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.32529E-03 ppm1      6.818 ppm2      4.521 CV     1
 ASSI { 2305}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.12470E-02 ppm1      6.741 ppm2      4.376 CV     1
 ASSI { 2309}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HN  ))
      4.200     2.200     1.800 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.53546E-03 ppm1      6.822 ppm2      8.140 CV     1
 ASSI { 2312}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.600     1.600     1.600 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.34998E-03 ppm1      7.352 ppm2      2.342 CV     1
 ASSI { 2313}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.10264E-02 ppm1      7.351 ppm2      2.038 CV     1
 OR { 2313}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2318}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 31   and name HD1%)
      4.700     2.800     1.300 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.39392E-03 ppm1      7.349 ppm2      0.442 CV     1
 ASSI { 2328}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.500     1.500     1.500 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.56474E-03 ppm1      6.884 ppm2      1.692 CV     1
 ASSI { 2331}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 74   and name HD1%)
      3.300     1.400     1.400 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.14413E-02 ppm1      6.884 ppm2      0.981 CV     1
 OR { 2331}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI { 2336}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG2%)
      4.700     2.700     1.300 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.18701E-03 ppm1      6.884 ppm2      1.219 CV     1
 ASSI { 2352}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.600     1.700     1.700 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.91335E-03 ppm1      1.218 ppm2      9.166 CV     1
 ASSI { 2354}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG12))
      2.500     0.800     0.800 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.21865E-02 ppm1      1.950 ppm2      1.294 CV     1
 ASSI { 2359}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      4.400     2.400     1.600 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.16003E-03 ppm1      2.130 ppm2      7.953 CV     1
 ASSI { 2361}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.400     2.500     1.600 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.52402E-03 ppm1      2.467 ppm2      9.166 CV     1
 ASSI { 2363}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.400     1.400     1.400 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2368}
   (( segid "    " and resid 58   and name HG1%  ))
   (( segid "    " and resid 58   and name HB ))
      3.400     1.400     1.400 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2400}
   (( segid "    " and resid 51   and name HD2  ))
   (( segid "    " and resid 51   and name HA ))
      4.200     1.500     1.500 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2401}
   (( segid "    " and resid 51   and name HD1  ))
   (( segid "    " and resid 51   and name HA ))
      4.200     1.200     1.200 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2426}
   (( segid "    " and resid 65   and name HB%  ))
   (( segid "    " and resid 60   and name HB ))
      4.000     0.800     0.800 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2427}
   (( segid "    " and resid 65   and name HB%  ))
   (( segid "    " and resid 60   and name HG2% ))
      3.200     0.800     0.800 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2429}
   (( segid "    " and resid 65   and name HB%  ))
   (( segid "    " and resid 60   and name HD1% ))
      4.800     1.000     1.200 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2434}
   (( segid "    " and resid 71   and name HG2  ))
   (( segid "    " and resid 31   and name HD1% ))
      4.200     1.000     1.200 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2441}
   (( segid "    " and resid 60   and name HG2%  ))
   (( segid "    " and resid 60   and name HB ))
      2.800     0.800     0.800 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2442}
   (( segid "    " and resid 52   and name HD1%  ))
   (( segid "    " and resid 52   and name HG ))
      2.800     0.800     0.800 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2443}
   (( segid "    " and resid 52   and name HD2%  ))
   (( segid "    " and resid 52   and name HG ))
      2.800     0.800     0.800 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2446}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN ))
      2.800     0.800     0.800 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2447}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 86   and name HN ))
      3.500     1.000     1.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2443}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HN ))
      3.500     1.000     1.000 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2450}
   (( segid "    " and resid 84   and name HG1  ))
   (( segid "    " and resid 83   and name HB% ))
      4.700     1.000     1.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2451}
   (( segid "    " and resid 84   and name HG2  ))
   (( segid "    " and resid 83   and name HB% ))
      4.200     1.800     1.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.17345E-02 ppm1      4.383 ppm2      2.468 CV     1
 ASSI { 2453}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      2.464 ppm2      7.749 CV     1
 ASSI { 2454}
   (( segid "    " and resid 85   and name HB% ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      2.464 ppm2      7.749 CV     1
 ASSI { 2456}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1  ))
      2.800     1.000     1.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      2.464 ppm2      7.749 CV     1
 OR { 2456}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1  ))
 ASSI { 2460}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HN )
      2.600     0.800     0.800 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.78335E-03 ppm1      2.262 ppm2      7.318 CV     1
 ASSI { 2461}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      3.600     1.600     1.600 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.78335E-03 ppm1      2.262 ppm2      7.318 CV     1
 OR { 2461}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2463}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 68   and name HN )
      3.800     1.600     1.600 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.78335E-03 ppm1      2.262 ppm2      7.318 CV     1
 ASSI { 2464}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 68   and name HN )
      3.800     1.600     1.600 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.78335E-03 ppm1      2.262 ppm2      7.318 CV     1
 ASSI { 2466}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 35   and name HZ )
      3.800     1.600     1.600 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.78335E-03 ppm1      2.262 ppm2      7.318 CV     1
 ASSI { 2469}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HD% )
      4.500     1.200     1.500 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.13221E-02 ppm1      1.222 ppm2      7.122 CV     1
 ASSI { 2470}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      4.200     1.900     1.800 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 ASSI { 2474}
   (  segid "    " and resid 69   and name HB1)
   (( segid "    " and resid 68   and name HA  ))
      4.200     1.900     1.800 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 ASSI { 2475}
   (  segid "    " and resid 69   and name HB2)
   (( segid "    " and resid 68   and name HA  ))
      4.200     1.900     1.800 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 ASSI { 2477}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      4.000     1.900     1.800 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 ASSI { 2481}
   (  segid "    " and resid 23   and name HA1)
   (( segid "    " and resid 21   and name HG2%))
      3.000     1.900     2.800 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 OR { 2481}
   (  segid "    " and resid 23   and name HA2)
   (( segid "    " and resid 21   and name HG2%))
 ASSI { 2484}
   (  segid "    " and resid 23   and name HA1)
   (( segid "    " and resid 15   and name HG1%))
      3.000     1.900     2.800 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 OR { 2484}
   (  segid "    " and resid 23   and name HA2)
   (( segid "    " and resid 15   and name HG1%))
 ASSI { 2485}
   (  segid "    " and resid 23   and name HA1)
   (( segid "    " and resid 22   and name HB1))
      3.000     1.900     2.800 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1
 OR { 2485}
   (  segid "    " and resid 23   and name HA1)
   (( segid "    " and resid 22   and name HB2))
 OR { 2485}
   (  segid "    " and resid 23   and name HA2)
   (( segid "    " and resid 22   and name HB1))
 OR { 2485}
   (  segid "    " and resid 23   and name HA2)
   (( segid "    " and resid 22   and name HB2))
 ASSI { 2488}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HN))
      3.200     1.900     2.800 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.26890E-03 ppm1      1.128 ppm2      8.008 CV     1



 ASSI {    2}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H28A))
      2.500     2.500     3.500 peak     2 spectrum    1 weight  0.11000E+01 volume  0.23194E-01 ppm1      1.060 ppm2      3.891 CV     1
 OR {    2}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H28B))
 ASSI {    3}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H28B))
      2.200     2.200     3.800 peak     3 spectrum    1 weight  0.11000E+01 volume  0.44192E-01 ppm1      0.920 ppm2      3.892 CV     1
 OR {    3}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H28A))
 ASSI {   11}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name HA  ))
      2.200     2.200     3.800 peak    11 spectrum    1 weight  0.11000E+01 volume  0.94280E-02 ppm1      0.920 ppm2      4.244 CV     1
 OR {   11}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI {   12}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name HB2 ))
      3.600     3.600     2.400 peak    12 spectrum    1 weight  0.11000E+01 volume  0.82222E-02 ppm1      1.059 ppm2      4.323 CV     1
 ASSI {   13}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name HB2 ))
      3.400     3.400     2.600 peak    13 spectrum    1 weight  0.11000E+01 volume  0.35571E-02 ppm1      0.920 ppm2      4.323 CV     1
 ASSI {   14}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name HA  ))
      2.100     2.100     3.900 peak    14 spectrum    1 weight  0.11000E+01 volume  0.96446E-02 ppm1      1.060 ppm2      4.244 CV     1
 OR {   14}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI {   18}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H37B))
      4.800     4.800     1.200 peak    18 spectrum    1 weight  0.11000E+01 volume  0.28666E-02 ppm1      0.917 ppm2      3.597 CV     1
 OR {   18}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H37A))
 ASSI {   22}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H36A))
      3.500     1.500     1.500 peak    22 spectrum    1 weight  0.11000E+01 volume  0.95978E-02 ppm1      1.059 ppm2      8.094 CV     1
 ASSI {   24}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H41A))
      4.600     2.600     1.400 peak    24 spectrum    1 weight  0.11000E+01 volume  0.29033E-02 ppm1      1.062 ppm2      8.280 CV     1
 ASSI {   26}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H41A))
      4.500     4.500     1.500 peak    26 spectrum    1 weight  0.11000E+01 volume  0.30102E-02 ppm1      0.919 ppm2      8.262 CV     1
 ASSI {   43}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      2.600     0.800     0.800 peak    43 spectrum    1 weight  0.11000E+01 volume  0.32953E-01 ppm1      4.103 ppm2      8.095 CV     1
 ASSI {   45}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H30%)
      4.100     2.100     1.900 peak    45 spectrum    1 weight  0.11000E+01 volume  0.71236E-02 ppm1      8.094 ppm2      0.914 CV     1
 ASSI {  118}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H37B))
      3.300     3.300     2.700 peak   118 spectrum    1 weight  0.11000E+01 volume  0.64905E-02 ppm1      1.059 ppm2      3.597 CV     1
 OR {  118}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H37A))
 ASSI {  127}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37B))
      2.300     0.700     0.700 peak   127 spectrum    1 weight  0.11000E+01 volume  0.31956E-01 ppm1      2.577 ppm2      3.615 CV     1
 OR {  127}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37A))
 OR {  127}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37B))
 OR {  127}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37A))
 ASSI {  131}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      2.300     0.600     0.600 peak   131 spectrum    1 weight  0.11000E+01 volume  0.38988E-01 ppm1      4.102 ppm2      1.056 CV     1
 ASSI {  132}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      3.400     1.500     1.500 peak   132 spectrum    1 weight  0.11000E+01 volume  0.10343E-01 ppm1      3.887 ppm2      1.055 CV     1
 ASSI {  133}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      2.600     0.800     0.800 peak   133 spectrum    1 weight  0.11000E+01 volume  0.18851E-01 ppm1      4.103 ppm2      0.914 CV     1
 ASSI {  134}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      2.400     0.700     0.700 peak   134 spectrum    1 weight  0.11000E+01 volume  0.17835E-01 ppm1      3.887 ppm2      0.914 CV     1
 ASSI {  136}
   (( segid "    " and resid 42   and name H42A))
   (  segid "    " and resid 42   and name H30%)
      2.100     0.600     0.600 peak   136 spectrum    1 weight  0.11000E+01 volume  0.11015E-01 ppm1      3.448 ppm2      0.915 CV     1
 OR {  136}
   (( segid "    " and resid 42   and name H42B))
   (  segid "    " and resid 42   and name H30%)
 ASSI {  140}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H28A))
      1.700     1.700     4.300 peak   140 spectrum    1 weight  0.11000E+01 volume  0.46235E-01 ppm1      3.447 ppm2      3.892 CV     1
 OR {  140}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H28A))
 ASSI {  141}
   (( segid "    " and resid 42   and name H36A))
   (( segid "    " and resid 42   and name H38B))
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.11000E+01 volume  0.97930E-02 ppm1      8.092 ppm2      2.575 CV     1
 OR {  141}
   (( segid "    " and resid 42   and name H36A))
   (( segid "    " and resid 42   and name H38A))
 ASSI {  142}
   (( segid "    " and resid 42   and name H36A))
   (( segid "    " and resid 42   and name H37A))
      2.600     2.600     3.400 peak   142 spectrum    1 weight  0.11000E+01 volume  0.12630E-01 ppm1      8.088 ppm2      3.608 CV     1
 OR {  142}
   (( segid "    " and resid 42   and name H36A))
   (( segid "    " and resid 42   and name H37B))
 ASSI {  144}
   (( segid "    " and resid 42   and name H41A))
   (( segid "    " and resid 42   and name H38B))
      2.400     0.800     0.800 peak   144 spectrum    1 weight  0.11000E+01 volume  0.14182E-01 ppm1      8.263 ppm2      2.574 CV     1
 OR {  144}
   (( segid "    " and resid 42   and name H41A))
   (( segid "    " and resid 42   and name H38A))
 ASSI {  145}
   (( segid "    " and resid 42   and name H41A))
   (( segid "    " and resid 42   and name H42A))
      2.800     1.000     1.000 peak   145 spectrum    1 weight  0.11000E+01 volume  0.88883E-02 ppm1      8.266 ppm2      3.462 CV     1
 OR {  145}
   (( segid "    " and resid 42   and name H41A))
   (( segid "    " and resid 42   and name H42B))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  19.365  -5.831   6.031
    2    H2   MET   1           HT2      MET   1  18.149  -6.037   7.201
    3    H3   MET   1           HT3      MET   1  19.746  -6.277   7.616
    4    HA   MET   1           HA       MET   1  18.903  -4.197   8.449
    5    HB2  MET   1           HB2      MET   1  21.287  -4.482   7.933
    6    HB3  MET   1           HB1      MET   1  21.003  -3.918   6.294
    7    HG2  MET   1           HG2      MET   1  20.418  -1.729   7.113
    8    HG3  MET   1           HG1      MET   1  20.560  -2.290   8.782
    9    HE1  MET   1           HE1      MET   1  24.382  -3.065   9.068
   10    HE2  MET   1           HE2      MET   1  23.105  -4.192   8.615
   11    HE3  MET   1           HE3      MET   1  22.836  -3.025   9.912
   12    H    ALA   2           HN       ALA   2  19.047  -4.211   4.857
   13    HA   ALA   2           HA       ALA   2  17.395  -1.881   4.724
   14    HB1  ALA   2           HB1      ALA   2  17.377  -2.348   2.299
   15    HB2  ALA   2           HB2      ALA   2  18.199  -3.883   2.597
   16    HB3  ALA   2           HB3      ALA   2  19.022  -2.362   2.940
   17    H    THR   3           HN       THR   3  15.389  -2.053   5.342
   18    HA   THR   3           HA       THR   3  14.110  -4.634   5.299
   19    HB   THR   3           HB       THR   3  13.926  -3.361   7.359
   20    HG1  THR   3           HG1      THR   3  11.513  -3.895   6.014
   21   HG21  THR   3          HG21      THR   3  12.641  -1.259   7.541
   22   HG22  THR   3          HG22      THR   3  12.495  -1.211   5.782
   23   HG23  THR   3          HG23      THR   3  14.084  -1.085   6.543
   24    H    LEU   4           HN       LEU   4  14.207  -4.670   2.990
   25    HA   LEU   4           HA       LEU   4  12.624  -3.077   1.281
   26    HB2  LEU   4           HB2      LEU   4  14.399  -4.793   0.642
   27    HB3  LEU   4           HB1      LEU   4  13.182  -6.034   0.932
   28    HG   LEU   4           HG       LEU   4  11.825  -4.808  -0.841
   29   HD11  LEU   4          HD11      LEU   4  14.521  -3.551  -1.358
   30   HD12  LEU   4          HD12      LEU   4  13.075  -2.717  -0.810
   31   HD13  LEU   4          HD13      LEU   4  13.116  -3.440  -2.417
   32   HD21  LEU   4          HD21      LEU   4  13.035  -5.917  -2.664
   33   HD22  LEU   4          HD22      LEU   4  12.927  -6.947  -1.234
   34   HD23  LEU   4          HD23      LEU   4  14.436  -6.119  -1.610
   35    H    LEU   5           HN       LEU   5  10.447  -3.001   1.126
   36    HA   LEU   5           HA       LEU   5   8.917  -4.394   3.087
   37    HB2  LEU   5           HB2      LEU   5   8.678  -1.982   2.074
   38    HB3  LEU   5           HB1      LEU   5   7.773  -2.774   0.811
   39    HG   LEU   5           HG       LEU   5   7.010  -2.781   3.746
   40   HD11  LEU   5          HD11      LEU   5   5.262  -1.226   3.090
   41   HD12  LEU   5          HD12      LEU   5   5.894  -1.211   1.443
   42   HD13  LEU   5          HD13      LEU   5   6.863  -0.565   2.767
   43   HD21  LEU   5          HD21      LEU   5   5.457  -3.622   1.316
   44   HD22  LEU   5          HD22      LEU   5   4.879  -3.616   2.986
   45   HD23  LEU   5          HD23      LEU   5   6.174  -4.713   2.496
   46    H    THR   6           HN       THR   6   8.173  -6.376   2.845
   47    HA   THR   6           HA       THR   6   8.054  -7.538   0.172
   48    HB   THR   6           HB       THR   6   7.806  -9.711   1.385
   49    HG1  THR   6           HG1      THR   6   8.262  -8.079   3.696
   50   HG21  THR   6          HG21      THR   6  10.115  -9.786   2.257
   51   HG22  THR   6          HG22      THR   6  10.170  -8.022   2.239
   52   HG23  THR   6          HG23      THR   6  10.033  -8.917   0.726
   53    H    THR   7           HN       THR   7   6.196  -9.356   0.057
   54    HA   THR   7           HA       THR   7   3.740  -8.092   0.007
   55    HB   THR   7           HB       THR   7   4.214 -11.075   0.181
   56    HG1  THR   7           HG1      THR   7   4.741 -10.949  -2.029
   57   HG21  THR   7          HG21      THR   7   2.283  -9.368  -1.418
   58   HG22  THR   7          HG22      THR   7   1.875 -10.313   0.018
   59   HG23  THR   7          HG23      THR   7   2.370 -11.129  -1.461
   60    H    ASP   8           HN       ASP   8   5.352 -10.160   2.386
   61    HA   ASP   8           HA       ASP   8   3.117 -10.566   4.074
   62    HB2  ASP   8           HB2      ASP   8   6.077 -10.834   4.661
   63    HB3  ASP   8           HB1      ASP   8   4.800 -11.336   5.760
   64    H    ASP   9           HN       ASP   9   5.689  -8.156   3.985
   65    HA   ASP   9           HA       ASP   9   4.983  -6.916   6.478
   66    HB2  ASP   9           HB2      ASP   9   6.326  -5.576   4.105
   67    HB3  ASP   9           HB1      ASP   9   6.211  -4.916   5.723
   68    H    LEU  10           HN       LEU  10   4.106  -6.380   3.119
   69    HA   LEU  10           HA       LEU  10   2.527  -4.090   3.562
   70    HB2  LEU  10           HB2      LEU  10   3.371  -4.784   1.344
   71    HB3  LEU  10           HB1      LEU  10   2.261  -6.139   1.359
   72    HG   LEU  10           HG       LEU  10   0.362  -4.518   1.448
   73   HD11  LEU  10          HD11      LEU  10   2.513  -2.464   0.987
   74   HD12  LEU  10          HD12      LEU  10   1.514  -2.635   2.432
   75   HD13  LEU  10          HD13      LEU  10   0.773  -2.179   0.898
   76   HD21  LEU  10          HD21      LEU  10   1.046  -5.503  -0.670
   77   HD22  LEU  10          HD22      LEU  10   2.258  -4.239  -0.887
   78   HD23  LEU  10          HD23      LEU  10   0.543  -3.828  -0.907
   79    H    ARG  11           HN       ARG  11   1.790  -7.535   3.554
   80    HA   ARG  11           HA       ARG  11  -0.987  -7.375   3.749
   81    HB2  ARG  11           HB2      ARG  11   0.425  -9.456   3.376
   82    HB3  ARG  11           HB1      ARG  11   0.728  -9.470   5.100
   83    HG2  ARG  11           HG2      ARG  11  -1.675  -9.716   5.531
   84    HG3  ARG  11           HG1      ARG  11  -1.985  -9.696   3.796
   85    HD2  ARG  11           HD2      ARG  11  -1.984 -11.973   4.473
   86    HD3  ARG  11           HD1      ARG  11  -0.469 -11.696   3.610
   87    HE   ARG  11           HE       ARG  11  -0.760 -11.837   6.517
   88   HH11  ARG  11          HH11      ARG  11   1.215 -12.369   3.584
   89   HH12  ARG  11          HH12      ARG  11   2.513 -13.051   4.451
   90   HH21  ARG  11          HH21      ARG  11   1.025 -12.861   7.639
   91   HH22  ARG  11          HH22      ARG  11   2.408 -13.336   6.796
   92    H    ARG  12           HN       ARG  12   1.485  -6.939   6.161
   93    HA   ARG  12           HA       ARG  12  -0.377  -6.806   8.375
   94    HB2  ARG  12           HB2      ARG  12   2.482  -5.831   8.165
   95    HB3  ARG  12           HB1      ARG  12   1.542  -5.935   9.645
   96    HG2  ARG  12           HG2      ARG  12   1.500  -8.385   9.406
   97    HG3  ARG  12           HG1      ARG  12   2.482  -8.237   7.946
   98    HD2  ARG  12           HD2      ARG  12   4.254  -7.167   9.199
   99    HD3  ARG  12           HD1      ARG  12   3.285  -7.203  10.661
  100    HE   ARG  12           HE       ARG  12   4.275  -9.609   9.289
  101   HH11  ARG  12          HH11      ARG  12   3.523  -7.836  12.279
  102   HH12  ARG  12          HH12      ARG  12   4.134  -9.054  13.318
  103   HH21  ARG  12          HH21      ARG  12   5.057 -11.296  10.711
  104   HH22  ARG  12          HH22      ARG  12   4.975 -11.105  12.388
  105    H    ALA  13           HN       ALA  13   1.685  -4.457   6.716
  106    HA   ALA  13           HA       ALA  13   0.808  -2.209   8.104
  107    HB1  ALA  13           HB1      ALA  13   2.915  -2.316   6.869
  108    HB2  ALA  13           HB2      ALA  13   1.950  -0.891   6.450
  109    HB3  ALA  13           HB3      ALA  13   1.995  -2.263   5.356
  110    H    LEU  14           HN       LEU  14  -0.469  -3.561   5.109
  111    HA   LEU  14           HA       LEU  14  -2.038  -1.377   4.347
  112    HB2  LEU  14           HB2      LEU  14  -1.420  -3.484   3.056
  113    HB3  LEU  14           HB1      LEU  14  -2.648  -4.312   3.979
  114    HG   LEU  14           HG       LEU  14  -4.363  -2.848   2.983
  115   HD11  LEU  14          HD11      LEU  14  -3.786  -1.452   1.067
  116   HD12  LEU  14          HD12      LEU  14  -2.077  -1.818   1.300
  117   HD13  LEU  14          HD13      LEU  14  -2.958  -0.899   2.523
  118   HD21  LEU  14          HD21      LEU  14  -2.599  -4.285   1.005
  119   HD22  LEU  14          HD22      LEU  14  -4.288  -3.836   0.749
  120   HD23  LEU  14          HD23      LEU  14  -3.865  -5.009   1.993
  121    H    VAL  15           HN       VAL  15  -2.609  -4.104   6.503
  122    HA   VAL  15           HA       VAL  15  -5.344  -3.557   7.106
  123    HB   VAL  15           HB       VAL  15  -3.272  -5.153   8.645
  124   HG11  VAL  15          HG11      VAL  15  -6.313  -5.245   8.825
  125   HG12  VAL  15          HG12      VAL  15  -5.235  -4.588  10.057
  126   HG13  VAL  15          HG13      VAL  15  -5.202  -6.311   9.683
  127   HG21  VAL  15          HG21      VAL  15  -4.288  -7.105   7.571
  128   HG22  VAL  15          HG22      VAL  15  -3.561  -5.976   6.423
  129   HG23  VAL  15          HG23      VAL  15  -5.318  -6.026   6.622
  130    H    GLU  16           HN       GLU  16  -2.298  -2.554   8.380
  131    HA   GLU  16           HA       GLU  16  -3.219  -1.522  10.866
  132    HB2  GLU  16           HB2      GLU  16  -0.688  -0.917   9.337
  133    HB3  GLU  16           HB1      GLU  16  -0.996  -0.496  11.016
  134    HG2  GLU  16           HG2      GLU  16  -0.895  -3.270   9.877
  135    HG3  GLU  16           HG1      GLU  16   0.372  -2.522  10.842
  136    H    SER  17           HN       SER  17  -3.636  -0.415   7.763
  137    HA   SER  17           HA       SER  17  -3.899   2.343   8.681
  138    HB2  SER  17           HB2      SER  17  -3.565   1.304   5.869
  139    HB3  SER  17           HB1      SER  17  -3.540   2.993   6.389
  140    HG   SER  17           HG       SER  17  -1.653   0.953   6.852
  141    H    ALA  18           HN       ALA  18  -5.731  -0.257   8.506
  142    HA   ALA  18           HA       ALA  18  -8.069   1.190   7.480
  143    HB1  ALA  18           HB1      ALA  18  -7.519  -1.779   7.298
  144    HB2  ALA  18           HB2      ALA  18  -7.498  -0.645   5.947
  145    HB3  ALA  18           HB3      ALA  18  -9.010  -0.984   6.790
  146    H    GLY  19           HN       GLY  19  -9.519   1.503   9.007
  147    HA2  GLY  19           HA2      GLY  19  -9.121   0.124  11.557
  148    HA3  GLY  19           HA1      GLY  19  -9.976   1.634  11.320
  149    H    GLU  20           HN       GLU  20 -11.905   1.119   9.550
  150    HA   GLU  20           HA       GLU  20 -13.511  -0.731  11.127
  151    HB2  GLU  20           HB2      GLU  20 -15.498   0.359  10.065
  152    HB3  GLU  20           HB1      GLU  20 -14.524   1.424  11.055
  153    HG2  GLU  20           HG2      GLU  20 -14.262   1.300   8.060
  154    HG3  GLU  20           HG1      GLU  20 -15.398   2.371   8.887
  155    H    THR  21           HN       THR  21 -11.900  -0.659   8.415
  156    HA   THR  21           HA       THR  21 -13.568  -2.634   7.076
  157    HB   THR  21           HB       THR  21 -11.036  -1.246   6.189
  158    HG1  THR  21           HG1      THR  21 -13.777  -0.869   5.511
  159   HG21  THR  21          HG21      THR  21 -11.564  -2.187   3.956
  160   HG22  THR  21          HG22      THR  21 -12.997  -2.970   4.639
  161   HG23  THR  21          HG23      THR  21 -11.396  -3.478   5.153
  162    H    ASP  22           HN       ASP  22 -13.234  -3.913   8.889
  163    HA   ASP  22           HA       ASP  22 -10.693  -5.344   8.791
  164    HB2  ASP  22           HB2      ASP  22 -10.946  -4.413  10.976
  165    HB3  ASP  22           HB1      ASP  22 -12.623  -4.942  11.072
  166    H    GLY  23           HN       GLY  23 -10.779  -7.347   8.247
  167    HA2  GLY  23           HA2      GLY  23 -11.855  -9.510   8.463
  168    HA3  GLY  23           HA1      GLY  23 -13.398  -8.657   8.310
  169    H    THR  24           HN       THR  24 -10.731  -7.885   6.214
  170    HA   THR  24           HA       THR  24 -12.269  -8.866   3.986
  171    HB   THR  24           HB       THR  24 -10.363  -7.729   2.710
  172    HG1  THR  24           HG1      THR  24  -9.132  -6.256   4.075
  173   HG21  THR  24          HG21      THR  24 -11.194  -5.466   3.188
  174   HG22  THR  24          HG22      THR  24 -11.939  -6.052   4.675
  175   HG23  THR  24          HG23      THR  24 -12.528  -6.619   3.112
  176    H    ASP  25           HN       ASP  25 -10.213  -9.630   2.222
  177    HA   ASP  25           HA       ASP  25  -8.795 -11.679   3.745
  178    HB2  ASP  25           HB2      ASP  25 -10.613 -12.763   2.380
  179    HB3  ASP  25           HB1      ASP  25  -9.833 -12.124   0.933
  180    H    LEU  26           HN       LEU  26  -6.778 -11.394   3.643
  181    HA   LEU  26           HA       LEU  26  -5.654 -10.110   1.250
  182    HB2  LEU  26           HB2      LEU  26  -5.945  -8.891   3.628
  183    HB3  LEU  26           HB1      LEU  26  -4.479  -9.782   3.964
  184    HG   LEU  26           HG       LEU  26  -3.412  -8.670   2.003
  185   HD11  LEU  26          HD11      LEU  26  -5.964  -7.072   2.014
  186   HD12  LEU  26          HD12      LEU  26  -5.431  -8.166   0.745
  187   HD13  LEU  26          HD13      LEU  26  -4.520  -6.688   1.080
  188   HD21  LEU  26          HD21      LEU  26  -3.087  -7.823   4.264
  189   HD22  LEU  26          HD22      LEU  26  -4.546  -6.851   4.124
  190   HD23  LEU  26          HD23      LEU  26  -3.151  -6.499   3.102
  191    H    SER  27           HN       SER  27  -6.041 -12.956   2.168
  192    HA   SER  27           HA       SER  27  -3.223 -13.618   2.593
  193    HB2  SER  27           HB2      SER  27  -4.683 -14.005   4.609
  194    HB3  SER  27           HB1      SER  27  -5.546 -15.221   3.678
  195    HG   SER  27           HG       SER  27  -4.086 -16.424   4.631
  196    H    GLY  28           HN       GLY  28  -5.891 -14.127   0.743
  197    HA2  GLY  28           HA2      GLY  28  -4.778 -16.543  -0.517
  198    HA3  GLY  28           HA1      GLY  28  -6.386 -15.900  -0.812
  199    H    ASP  29           HN       ASP  29  -3.090 -14.726  -1.020
  200    HA   ASP  29           HA       ASP  29  -1.941 -13.489  -2.503
  201    HB2  ASP  29           HB2      ASP  29  -2.148 -15.499  -3.932
  202    HB3  ASP  29           HB1      ASP  29  -3.625 -14.841  -4.628
  203    H    PHE  30           HN       PHE  30  -2.469 -11.517  -1.953
  204    HA   PHE  30           HA       PHE  30  -4.776 -10.255  -3.255
  205    HB2  PHE  30           HB2      PHE  30  -4.598  -8.536  -1.560
  206    HB3  PHE  30           HB1      PHE  30  -4.568 -10.109  -0.780
  207    HD1  PHE  30           HD2      PHE  30  -2.309 -11.027  -0.017
  208    HD2  PHE  30           HD1      PHE  30  -2.866  -6.989  -1.233
  209    HE1  PHE  30           HE2      PHE  30  -0.239 -10.394   1.144
  210    HE2  PHE  30           HE1      PHE  30  -0.795  -6.350  -0.076
  211    HZ   PHE  30           HZ       PHE  30   0.519  -8.049   1.118
  212    H    LEU  31           HN       LEU  31  -1.632 -10.730  -3.889
  213    HA   LEU  31           HA       LEU  31  -0.582  -8.112  -4.067
  214    HB2  LEU  31           HB2      LEU  31   0.739 -10.199  -3.770
  215    HB3  LEU  31           HB1      LEU  31   0.422 -10.587  -5.447
  216    HG   LEU  31           HG       LEU  31   1.657  -8.556  -6.128
  217   HD11  LEU  31          HD11      LEU  31   1.269  -7.212  -4.130
  218   HD12  LEU  31          HD12      LEU  31   2.991  -7.352  -4.466
  219   HD13  LEU  31          HD13      LEU  31   2.262  -8.320  -3.181
  220   HD21  LEU  31          HD21      LEU  31   3.880  -9.385  -5.552
  221   HD22  LEU  31          HD22      LEU  31   2.803 -10.710  -5.981
  222   HD23  LEU  31          HD23      LEU  31   3.179 -10.394  -4.287
  223    H    ASP  32           HN       ASP  32  -2.141 -10.185  -6.452
  224    HA   ASP  32           HA       ASP  32  -1.940  -7.976  -8.389
  225    HB2  ASP  32           HB2      ASP  32  -2.365 -10.917  -8.827
  226    HB3  ASP  32           HB1      ASP  32  -2.733  -9.728 -10.076
  227    H    LEU  33           HN       LEU  33  -3.889  -8.666  -6.119
  228    HA   LEU  33           HA       LEU  33  -6.374  -8.766  -7.626
  229    HB2  LEU  33           HB2      LEU  33  -5.941 -10.021  -5.415
  230    HB3  LEU  33           HB1      LEU  33  -6.002  -8.457  -4.636
  231    HG   LEU  33           HG       LEU  33  -8.342  -8.186  -5.340
  232   HD11  LEU  33          HD11      LEU  33  -8.246  -9.482  -7.404
  233   HD12  LEU  33          HD12      LEU  33  -9.541 -10.058  -6.355
  234   HD13  LEU  33          HD13      LEU  33  -8.033 -10.967  -6.472
  235   HD21  LEU  33          HD21      LEU  33  -7.861  -9.219  -3.178
  236   HD22  LEU  33          HD22      LEU  33  -7.770 -10.803  -3.950
  237   HD23  LEU  33          HD23      LEU  33  -9.300  -9.932  -3.913
  238    H    ARG  34           HN       ARG  34  -8.038  -6.895  -6.970
  239    HA   ARG  34           HA       ARG  34  -6.406  -4.486  -7.258
  240    HB2  ARG  34           HB2      ARG  34  -9.373  -4.792  -7.788
  241    HB3  ARG  34           HB1      ARG  34  -8.345  -3.434  -8.243
  242    HG2  ARG  34           HG2      ARG  34  -7.104  -4.924  -9.773
  243    HG3  ARG  34           HG1      ARG  34  -8.208  -6.234  -9.341
  244    HD2  ARG  34           HD2      ARG  34  -8.973  -5.321 -11.397
  245    HD3  ARG  34           HD1      ARG  34 -10.090  -4.792 -10.144
  246    HE   ARG  34           HE       ARG  34  -7.989  -2.922 -10.622
  247   HH11  ARG  34          HH11      ARG  34 -11.046  -4.036 -11.991
  248   HH12  ARG  34          HH12      ARG  34 -11.465  -2.529 -12.675
  249   HH21  ARG  34          HH21      ARG  34  -8.515  -0.923 -11.555
  250   HH22  ARG  34          HH22      ARG  34  -9.985  -0.673 -12.431
  251    H    PHE  35           HN       PHE  35  -6.978  -2.604  -6.055
  252    HA   PHE  35           HA       PHE  35  -7.460  -3.115  -3.354
  253    HB2  PHE  35           HB2      PHE  35  -7.475  -0.505  -4.855
  254    HB3  PHE  35           HB1      PHE  35  -7.802  -0.575  -3.130
  255    HD1  PHE  35           HD2      PHE  35  -6.021  -1.399  -1.580
  256    HD2  PHE  35           HD1      PHE  35  -5.284  -0.711  -5.713
  257    HE1  PHE  35           HE2      PHE  35  -3.607  -1.370  -1.142
  258    HE2  PHE  35           HE1      PHE  35  -2.865  -0.683  -5.283
  259    HZ   PHE  35           HZ       PHE  35  -2.034  -1.042  -2.933
  260    H    GLU  36           HN       GLU  36  -9.756  -2.477  -5.837
  261    HA   GLU  36           HA       GLU  36 -11.949  -1.795  -4.156
  262    HB2  GLU  36           HB2      GLU  36 -13.357  -2.312  -6.086
  263    HB3  GLU  36           HB1      GLU  36 -11.976  -1.340  -6.580
  264    HG2  GLU  36           HG2      GLU  36 -10.920  -3.177  -7.593
  265    HG3  GLU  36           HG1      GLU  36 -11.999  -4.330  -6.808
  266    H    ASP  37           HN       ASP  37 -10.462  -4.807  -5.103
  267    HA   ASP  37           HA       ASP  37 -12.736  -6.447  -4.416
  268    HB2  ASP  37           HB2      ASP  37  -9.875  -7.325  -4.886
  269    HB3  ASP  37           HB1      ASP  37 -11.297  -8.352  -4.850
  270    H    ILE  38           HN       ILE  38  -9.744  -5.388  -3.026
  271    HA   ILE  38           HA       ILE  38 -10.182  -7.029  -0.704
  272    HB   ILE  38           HB       ILE  38  -8.062  -6.089   0.194
  273   HG12  ILE  38          HG12      ILE  38  -7.934  -4.648  -2.469
  274   HG13  ILE  38          HG11      ILE  38  -8.138  -3.880  -0.898
  275   HG21  ILE  38          HG21      ILE  38  -7.876  -7.190  -2.610
  276   HG22  ILE  38          HG22      ILE  38  -8.078  -8.133  -1.132
  277   HG23  ILE  38          HG23      ILE  38  -6.595  -7.217  -1.394
  278   HD11  ILE  38          HD11      ILE  38  -5.917  -4.671  -0.244
  279   HD12  ILE  38          HD12      ILE  38  -5.859  -3.658  -1.685
  280   HD13  ILE  38          HD13      ILE  38  -5.714  -5.411  -1.829
  281    H    GLY  39           HN       GLY  39 -11.773  -4.546  -1.592
  282    HA2  GLY  39           HA2      GLY  39 -13.163  -3.078  -0.528
  283    HA3  GLY  39           HA1      GLY  39 -12.794  -3.943   0.951
  284    H    TYR  40           HN       TYR  40 -10.580  -2.063  -1.102
  285    HA   TYR  40           HA       TYR  40 -10.095  -0.518   1.282
  286    HB2  TYR  40           HB2      TYR  40  -8.297  -1.332  -0.897
  287    HB3  TYR  40           HB1      TYR  40  -8.021   0.267  -0.201
  288    HD1  TYR  40           HD2      TYR  40  -8.639  -3.243   0.799
  289    HD2  TYR  40           HD1      TYR  40  -6.788   0.457   1.738
  290    HE1  TYR  40           HE2      TYR  40  -7.521  -4.316   2.650
  291    HE2  TYR  40           HE1      TYR  40  -5.621  -0.577   3.612
  292    HH   TYR  40           HH       TYR  40  -5.625  -3.992   4.105
  293    H    ASP  41           HN       ASP  41 -10.227   1.470   1.518
  294    HA   ASP  41           HA       ASP  41 -11.913   2.891  -0.327
  295    HB2  ASP  41           HB2      ASP  41 -12.026   2.978   2.275
  296    HB3  ASP  41           HB1      ASP  41 -10.602   4.024   2.111
  297    H    SER  42           HN       SER  42 -11.262   5.233  -0.526
  298    HA   SER  42           HA       SER  42  -8.963   5.319  -2.253
  299    HB2  SER  42           HB2      SER  42 -11.312   6.295  -2.632
  300    HB3  SER  42           HB1      SER  42 -10.872   7.519  -1.455
  301    H    LEU  43           HN       LEU  43 -10.213   6.859   0.699
  302    HA   LEU  43           HA       LEU  43  -7.919   8.477   1.190
  303    HB2  LEU  43           HB2      LEU  43 -10.179   7.636   3.015
  304    HB3  LEU  43           HB1      LEU  43  -8.980   8.852   3.396
  305    HG   LEU  43           HG       LEU  43 -10.944   9.065   1.113
  306   HD11  LEU  43          HD11      LEU  43 -12.082   9.113   3.268
  307   HD12  LEU  43          HD12      LEU  43 -12.081  10.714   2.525
  308   HD13  LEU  43          HD13      LEU  43 -10.967  10.352   3.842
  309   HD21  LEU  43          HD21      LEU  43 -10.225  11.416   1.079
  310   HD22  LEU  43          HD22      LEU  43  -8.884  10.318   0.754
  311   HD23  LEU  43          HD23      LEU  43  -9.049  11.062   2.343
  312    H    ALA  44           HN       ALA  44  -9.040   5.361   2.242
  313    HA   ALA  44           HA       ALA  44  -7.273   4.814   4.308
  314    HB1  ALA  44           HB1      ALA  44  -7.752   2.464   3.932
  315    HB2  ALA  44           HB2      ALA  44  -8.409   2.834   2.342
  316    HB3  ALA  44           HB3      ALA  44  -9.228   3.416   3.792
  317    H    LEU  45           HN       LEU  45  -6.803   4.537   0.834
  318    HA   LEU  45           HA       LEU  45  -4.366   3.124   1.101
  319    HB2  LEU  45           HB2      LEU  45  -5.751   2.958  -0.853
  320    HB3  LEU  45           HB1      LEU  45  -5.470   4.644  -1.227
  321    HG   LEU  45           HG       LEU  45  -3.367   4.224  -2.141
  322   HD11  LEU  45          HD11      LEU  45  -1.942   2.356  -1.526
  323   HD12  LEU  45          HD12      LEU  45  -3.204   1.654  -0.507
  324   HD13  LEU  45          HD13      LEU  45  -2.425   3.178  -0.047
  325   HD21  LEU  45          HD21      LEU  45  -4.727   1.676  -2.099
  326   HD22  LEU  45          HD22      LEU  45  -3.487   2.116  -3.292
  327   HD23  LEU  45          HD23      LEU  45  -5.090   2.942  -3.285
  328    H    MET  46           HN       MET  46  -5.277   6.520   0.781
  329    HA   MET  46           HA       MET  46  -2.725   7.713   0.321
  330    HB2  MET  46           HB2      MET  46  -4.831   8.953   2.092
  331    HB3  MET  46           HB1      MET  46  -3.696   9.773   1.025
  332    HG2  MET  46           HG2      MET  46  -4.929   8.734  -0.884
  333    HG3  MET  46           HG1      MET  46  -6.051   8.143   0.340
  334    HE1  MET  46           HE1      MET  46  -5.449  12.679  -0.359
  335    HE2  MET  46           HE2      MET  46  -4.553  11.455  -1.251
  336    HE3  MET  46           HE3      MET  46  -4.283  11.657   0.482
  337    H    GLU  47           HN       GLU  47  -4.561   6.975   3.112
  338    HA   GLU  47           HA       GLU  47  -2.841   7.687   5.153
  339    HB2  GLU  47           HB2      GLU  47  -5.166   6.137   4.604
  340    HB3  GLU  47           HB1      GLU  47  -4.492   5.772   6.218
  341    HG2  GLU  47           HG2      GLU  47  -4.649   8.306   6.549
  342    HG3  GLU  47           HG1      GLU  47  -5.486   8.354   5.005
  343    H    THR  48           HN       THR  48  -3.375   4.529   3.615
  344    HA   THR  48           HA       THR  48  -1.522   2.934   4.938
  345    HB   THR  48           HB       THR  48  -2.342   2.931   2.014
  346    HG1  THR  48           HG1      THR  48  -4.052   2.609   3.522
  347   HG21  THR  48          HG21      THR  48  -0.276   1.628   2.305
  348   HG22  THR  48          HG22      THR  48  -1.645   0.616   1.897
  349   HG23  THR  48          HG23      THR  48  -1.049   0.659   3.568
  350    H    ALA  49           HN       ALA  49  -1.097   4.978   2.139
  351    HA   ALA  49           HA       ALA  49   1.601   4.408   1.601
  352    HB1  ALA  49           HB1      ALA  49   1.589   6.411   0.193
  353    HB2  ALA  49           HB2      ALA  49   0.066   6.920   0.924
  354    HB3  ALA  49           HB3      ALA  49   0.125   5.450  -0.051
  355    H    ALA  50           HN       ALA  50   0.110   7.149   3.315
  356    HA   ALA  50           HA       ALA  50   2.431   8.503   4.060
  357    HB1  ALA  50           HB1      ALA  50   1.056   9.598   5.768
  358    HB2  ALA  50           HB2      ALA  50  -0.191   8.366   5.556
  359    HB3  ALA  50           HB3      ALA  50   0.191   9.473   4.235
  360    H    ARG  51           HN       ARG  51   0.732   5.888   5.633
  361    HA   ARG  51           HA       ARG  51   2.092   5.758   8.024
  362    HB2  ARG  51           HB2      ARG  51   0.079   4.459   7.634
  363    HB3  ARG  51           HB1      ARG  51   0.834   3.586   6.323
  364    HG2  ARG  51           HG2      ARG  51   0.805   2.012   7.983
  365    HG3  ARG  51           HG1      ARG  51   2.418   2.685   8.175
  366    HD2  ARG  51           HD2      ARG  51   1.164   2.278  10.230
  367    HD3  ARG  51           HD1      ARG  51   1.700   3.931  10.181
  368    HE   ARG  51           HE       ARG  51  -0.911   3.550   9.066
  369   HH11  ARG  51          HH11      ARG  51   0.818   3.984  12.133
  370   HH12  ARG  51          HH12      ARG  51  -0.578   4.422  13.012
  371   HH21  ARG  51          HH21      ARG  51  -2.836   4.299  10.281
  372   HH22  ARG  51          HH22      ARG  51  -2.655   4.604  11.937
  373    H    LEU  52           HN       LEU  52   2.674   4.134   4.956
  374    HA   LEU  52           HA       LEU  52   4.995   2.735   5.736
  375    HB2  LEU  52           HB2      LEU  52   4.002   3.458   2.985
  376    HB3  LEU  52           HB1      LEU  52   5.276   2.305   3.333
  377    HG   LEU  52           HG       LEU  52   2.398   2.038   4.184
  378   HD11  LEU  52          HD11      LEU  52   2.649   1.744   1.798
  379   HD12  LEU  52          HD12      LEU  52   2.318   0.197   2.581
  380   HD13  LEU  52          HD13      LEU  52   3.955   0.591   2.057
  381   HD21  LEU  52          HD21      LEU  52   3.034  -0.217   4.872
  382   HD22  LEU  52          HD22      LEU  52   3.920   1.017   5.772
  383   HD23  LEU  52          HD23      LEU  52   4.713   0.132   4.465
  384    H    GLU  53           HN       GLU  53   4.463   5.810   4.083
  385    HA   GLU  53           HA       GLU  53   7.084   6.486   3.412
  386    HB2  GLU  53           HB2      GLU  53   4.864   8.298   4.383
  387    HB3  GLU  53           HB1      GLU  53   6.363   8.865   3.681
  388    HG2  GLU  53           HG2      GLU  53   5.766   7.784   1.570
  389    HG3  GLU  53           HG1      GLU  53   4.253   7.230   2.296
  390    H    SER  54           HN       SER  54   5.333   7.105   6.423
  391    HA   SER  54           HA       SER  54   7.512   8.469   7.611
  392    HB2  SER  54           HB2      SER  54   5.133   8.939   8.127
  393    HB3  SER  54           HB1      SER  54   5.016   7.368   8.918
  394    HG   SER  54           HG       SER  54   6.885   9.370   9.646
  395    H    ARG  55           HN       ARG  55   6.416   5.115   7.705
  396    HA   ARG  55           HA       ARG  55   8.156   4.500   9.903
  397    HB2  ARG  55           HB2      ARG  55   6.165   3.148   9.706
  398    HB3  ARG  55           HB1      ARG  55   6.607   2.660   8.071
  399    HG2  ARG  55           HG2      ARG  55   8.522   1.423   8.938
  400    HG3  ARG  55           HG1      ARG  55   8.151   1.959  10.572
  401    HD2  ARG  55           HD2      ARG  55   6.120   0.696  10.599
  402    HD3  ARG  55           HD1      ARG  55   6.266   0.326   8.879
  403    HE   ARG  55           HE       ARG  55   8.546  -0.687   9.899
  404   HH11  ARG  55          HH11      ARG  55   5.184  -1.159  11.065
  405   HH12  ARG  55          HH12      ARG  55   5.476  -2.811  11.423
  406   HH21  ARG  55          HH21      ARG  55   8.813  -2.931  10.396
  407   HH22  ARG  55          HH22      ARG  55   7.479  -3.806  11.042
  408    H    TYR  56           HN       TYR  56   8.333   3.899   6.398
  409    HA   TYR  56           HA       TYR  56  10.892   2.621   6.877
  410    HB2  TYR  56           HB2      TYR  56   9.289   2.840   4.323
  411    HB3  TYR  56           HB1      TYR  56  10.827   1.997   4.476
  412    HD1  TYR  56           HD1      TYR  56  10.958   0.049   6.128
  413    HD2  TYR  56           HD2      TYR  56   7.279   1.760   4.858
  414    HE1  TYR  56           HE1      TYR  56   9.774  -1.987   6.816
  415    HE2  TYR  56           HE2      TYR  56   6.086  -0.277   5.550
  416    HH   TYR  56           HH       TYR  56   7.454  -2.643   7.502
  417    H    GLY  57           HN       GLY  57   9.802   5.704   6.051
  418    HA2  GLY  57           HA2      GLY  57  11.126   7.596   5.859
  419    HA3  GLY  57           HA1      GLY  57  12.546   6.570   5.707
  420    H    VAL  58           HN       VAL  58   9.536   7.073   3.929
  421    HA   VAL  58           HA       VAL  58  11.068   7.605   1.498
  422    HB   VAL  58           HB       VAL  58   9.624   6.186   0.096
  423   HG11  VAL  58          HG11      VAL  58  10.713   4.602   2.390
  424   HG12  VAL  58          HG12      VAL  58  11.641   5.142   0.977
  425   HG13  VAL  58          HG13      VAL  58  10.336   3.962   0.792
  426   HG21  VAL  58          HG21      VAL  58   8.312   5.267   2.660
  427   HG22  VAL  58          HG22      VAL  58   8.010   4.600   1.057
  428   HG23  VAL  58          HG23      VAL  58   7.579   6.274   1.412
  429    H    SER  59           HN       SER  59   9.087   8.109  -0.289
  430    HA   SER  59           HA       SER  59   6.907   9.400   0.976
  431    HB2  SER  59           HB2      SER  59   8.724  11.132   1.031
  432    HB3  SER  59           HB1      SER  59   8.771  11.066  -0.737
  433    HG   SER  59           HG       SER  59   6.305  11.452   0.522
  434    H    ILE  60           HN       ILE  60   5.203   9.586  -0.359
  435    HA   ILE  60           HA       ILE  60   5.502   8.909  -3.203
  436    HB   ILE  60           HB       ILE  60   3.360   7.767  -1.367
  437   HG12  ILE  60          HG12      ILE  60   5.609   6.305  -2.773
  438   HG13  ILE  60          HG11      ILE  60   5.519   6.622  -1.039
  439   HG21  ILE  60          HG21      ILE  60   2.616   6.483  -3.327
  440   HG22  ILE  60          HG22      ILE  60   3.830   7.298  -4.314
  441   HG23  ILE  60          HG23      ILE  60   2.513   8.227  -3.605
  442   HD11  ILE  60          HD11      ILE  60   3.505   5.250  -0.903
  443   HD12  ILE  60          HD12      ILE  60   4.871   4.340  -1.553
  444   HD13  ILE  60          HD13      ILE  60   3.608   4.926  -2.634
  445    HA   PRO  61           HA       PRO  61   2.861  12.610  -3.411
  446    HB2  PRO  61           HB2      PRO  61   2.334  11.373  -6.087
  447    HB3  PRO  61           HB1      PRO  61   2.772  13.041  -5.698
  448    HG2  PRO  61           HG2      PRO  61   4.578  11.422  -6.751
  449    HG3  PRO  61           HG1      PRO  61   5.023  12.526  -5.438
  450    HD2  PRO  61           HD2      PRO  61   4.500   9.584  -5.336
  451    HD3  PRO  61           HD1      PRO  61   5.736  10.539  -4.493
  452    H    ASP  62           HN       ASP  62   0.719  12.724  -2.836
  453    HA   ASP  62           HA       ASP  62  -0.540  10.309  -2.149
  454    HB2  ASP  62           HB2      ASP  62  -2.412  11.598  -1.314
  455    HB3  ASP  62           HB1      ASP  62  -0.894  12.321  -0.795
  456    H    ASP  63           HN       ASP  63  -0.931  12.307  -4.967
  457    HA   ASP  63           HA       ASP  63  -3.361  11.049  -5.764
  458    HB2  ASP  63           HB2      ASP  63  -3.183  12.161  -7.848
  459    HB3  ASP  63           HB1      ASP  63  -2.532  13.279  -6.665
  460    H    VAL  64           HN       VAL  64  -0.023  10.216  -6.042
  461    HA   VAL  64           HA       VAL  64  -0.391   8.337  -8.170
  462    HB   VAL  64           HB       VAL  64   1.966   8.613  -6.254
  463   HG11  VAL  64          HG11      VAL  64   1.801   7.119  -8.879
  464   HG12  VAL  64          HG12      VAL  64   1.900   6.383  -7.281
  465   HG13  VAL  64          HG13      VAL  64   3.254   7.333  -7.899
  466   HG21  VAL  64          HG21      VAL  64   1.581   9.638  -9.062
  467   HG22  VAL  64          HG22      VAL  64   3.062   9.768  -8.107
  468   HG23  VAL  64          HG23      VAL  64   1.599  10.604  -7.587
  469    H    ALA  65           HN       ALA  65  -0.849   8.294  -4.797
  470    HA   ALA  65           HA       ALA  65  -0.762   5.502  -4.375
  471    HB1  ALA  65           HB1      ALA  65  -2.076   6.023  -2.379
  472    HB2  ALA  65           HB2      ALA  65  -2.263   7.688  -2.952
  473    HB3  ALA  65           HB3      ALA  65  -0.654   7.073  -2.540
  474    H    GLY  66           HN       GLY  66  -3.134   7.781  -5.532
  475    HA2  GLY  66           HA2      GLY  66  -5.242   5.799  -5.566
  476    HA3  GLY  66           HA1      GLY  66  -5.379   7.473  -6.096
  477    H    ARG  67           HN       ARG  67  -2.630   6.441  -7.488
  478    HA   ARG  67           HA       ARG  67  -3.987   5.915  -9.993
  479    HB2  ARG  67           HB2      ARG  67  -1.097   6.498  -9.367
  480    HB3  ARG  67           HB1      ARG  67  -1.680   6.094 -10.976
  481    HG2  ARG  67           HG2      ARG  67  -3.148   8.076 -10.893
  482    HG3  ARG  67           HG1      ARG  67  -2.460   8.480  -9.319
  483    HD2  ARG  67           HD2      ARG  67  -1.395   9.783 -11.074
  484    HD3  ARG  67           HD1      ARG  67  -0.239   8.662 -10.350
  485    HE   ARG  67           HE       ARG  67  -1.374   7.414 -12.590
  486   HH11  ARG  67          HH11      ARG  67   0.772  10.232 -11.965
  487   HH12  ARG  67          HH12      ARG  67   1.568  10.059 -13.452
  488   HH21  ARG  67          HH21      ARG  67  -0.266   7.301 -14.660
  489   HH22  ARG  67          HH22      ARG  67   0.971   8.405 -15.002
  490    H    VAL  68           HN       VAL  68  -2.529   4.149  -7.504
  491    HA   VAL  68           HA       VAL  68  -1.699   2.064  -9.266
  492    HB   VAL  68           HB       VAL  68  -1.083   0.730  -7.292
  493   HG11  VAL  68          HG11      VAL  68   0.720   2.194  -6.485
  494   HG12  VAL  68          HG12      VAL  68  -0.098   3.571  -7.232
  495   HG13  VAL  68          HG13      VAL  68   0.516   2.262  -8.240
  496   HG21  VAL  68          HG21      VAL  68  -2.111   3.076  -5.694
  497   HG22  VAL  68          HG22      VAL  68  -1.141   1.757  -5.054
  498   HG23  VAL  68          HG23      VAL  68  -2.766   1.436  -5.683
  499    H    ASP  69           HN       ASP  69  -2.520  -0.138  -9.166
  500    HA   ASP  69           HA       ASP  69  -5.463  -0.076  -8.835
  501    HB2  ASP  69           HB2      ASP  69  -4.436  -0.316 -11.176
  502    HB3  ASP  69           HB1      ASP  69  -3.844  -1.863 -10.614
  503    H    THR  70           HN       THR  70  -2.566  -2.002  -8.783
  504    HA   THR  70           HA       THR  70  -3.838  -3.900  -6.959
  505    HB   THR  70           HB       THR  70  -2.259  -5.588  -7.889
  506    HG1  THR  70           HG1      THR  70  -1.472  -3.353  -9.489
  507   HG21  THR  70          HG21      THR  70  -4.490  -5.390  -8.891
  508   HG22  THR  70          HG22      THR  70  -3.301  -5.776 -10.136
  509   HG23  THR  70          HG23      THR  70  -3.895  -4.119  -9.956
  510    HA   PRO  71           HA       PRO  71  -1.063  -2.787  -3.706
  511    HB2  PRO  71           HB2      PRO  71  -0.633  -5.735  -3.490
  512    HB3  PRO  71           HB1      PRO  71  -1.002  -4.562  -2.214
  513    HG2  PRO  71           HG2      PRO  71  -2.914  -6.102  -3.126
  514    HG3  PRO  71           HG1      PRO  71  -3.243  -4.367  -2.900
  515    HD2  PRO  71           HD2      PRO  71  -2.677  -5.887  -5.414
  516    HD3  PRO  71           HD1      PRO  71  -3.864  -4.599  -5.122
  517    H    ARG  72           HN       ARG  72   0.154  -5.073  -6.147
  518    HA   ARG  72           HA       ARG  72   2.837  -4.981  -5.270
  519    HB2  ARG  72           HB2      ARG  72   3.520  -5.904  -7.417
  520    HB3  ARG  72           HB1      ARG  72   2.101  -6.731  -6.815
  521    HG2  ARG  72           HG2      ARG  72   0.710  -5.741  -8.450
  522    HG3  ARG  72           HG1      ARG  72   1.925  -4.526  -8.857
  523    HD2  ARG  72           HD2      ARG  72   1.908  -6.202 -10.601
  524    HD3  ARG  72           HD1      ARG  72   3.398  -6.342  -9.680
  525    HE   ARG  72           HE       ARG  72   1.120  -8.184  -9.640
  526   HH11  ARG  72          HH11      ARG  72   4.533  -7.559  -8.729
  527   HH12  ARG  72          HH12      ARG  72   4.807  -9.199  -8.324
  528   HH21  ARG  72          HH21      ARG  72   1.585 -10.352  -9.117
  529   HH22  ARG  72          HH22      ARG  72   3.125 -10.829  -8.563
  530    H    GLU  73           HN       GLU  73   0.990  -2.769  -7.185
  531    HA   GLU  73           HA       GLU  73   3.230  -1.375  -8.287
  532    HB2  GLU  73           HB2      GLU  73   0.351  -0.552  -7.956
  533    HB3  GLU  73           HB1      GLU  73   1.542   0.266  -8.960
  534    HG2  GLU  73           HG2      GLU  73   1.700  -1.602 -10.417
  535    HG3  GLU  73           HG1      GLU  73   0.706  -2.588  -9.344
  536    H    LEU  74           HN       LEU  74   1.123  -1.026  -5.525
  537    HA   LEU  74           HA       LEU  74   2.035   1.486  -4.565
  538    HB2  LEU  74           HB2      LEU  74  -0.029   0.043  -3.853
  539    HB3  LEU  74           HB1      LEU  74   1.181  -0.813  -2.892
  540    HG   LEU  74           HG       LEU  74  -0.271   0.902  -1.632
  541   HD11  LEU  74          HD11      LEU  74   2.704   1.252  -1.494
  542   HD12  LEU  74          HD12      LEU  74   1.758   0.027  -0.651
  543   HD13  LEU  74          HD13      LEU  74   1.543   1.731  -0.254
  544   HD21  LEU  74          HD21      LEU  74  -0.250   2.663  -3.312
  545   HD22  LEU  74          HD22      LEU  74   1.496   2.831  -3.132
  546   HD23  LEU  74          HD23      LEU  74   0.426   3.241  -1.787
  547    H    LEU  75           HN       LEU  75   2.843  -1.853  -3.908
  548    HA   LEU  75           HA       LEU  75   4.814  -1.634  -1.985
  549    HB2  LEU  75           HB2      LEU  75   3.581  -3.627  -2.685
  550    HB3  LEU  75           HB1      LEU  75   4.414  -3.601  -4.221
  551    HG   LEU  75           HG       LEU  75   6.500  -3.861  -2.987
  552   HD11  LEU  75          HD11      LEU  75   4.608  -4.497  -0.722
  553   HD12  LEU  75          HD12      LEU  75   5.750  -3.151  -0.787
  554   HD13  LEU  75          HD13      LEU  75   6.342  -4.810  -0.696
  555   HD21  LEU  75          HD21      LEU  75   6.183  -6.292  -2.700
  556   HD22  LEU  75          HD22      LEU  75   5.426  -5.646  -4.172
  557   HD23  LEU  75          HD23      LEU  75   4.434  -6.019  -2.766
  558    H    ASP  76           HN       ASP  76   4.918  -1.552  -5.485
  559    HA   ASP  76           HA       ASP  76   7.707  -1.533  -5.899
  560    HB2  ASP  76           HB2      ASP  76   6.250  -2.111  -7.722
  561    HB3  ASP  76           HB1      ASP  76   5.399  -0.580  -7.599
  562    H    LEU  77           HN       LEU  77   5.331   0.985  -5.403
  563    HA   LEU  77           HA       LEU  77   6.954   3.210  -5.961
  564    HB2  LEU  77           HB2      LEU  77   4.635   2.929  -4.065
  565    HB3  LEU  77           HB1      LEU  77   5.326   4.447  -4.578
  566    HG   LEU  77           HG       LEU  77   3.973   2.443  -6.347
  567   HD11  LEU  77          HD11      LEU  77   2.160   4.095  -6.490
  568   HD12  LEU  77          HD12      LEU  77   3.011   5.113  -5.321
  569   HD13  LEU  77          HD13      LEU  77   2.410   3.529  -4.840
  570   HD21  LEU  77          HD21      LEU  77   4.069   4.212  -8.068
  571   HD22  LEU  77          HD22      LEU  77   5.674   3.701  -7.548
  572   HD23  LEU  77          HD23      LEU  77   4.996   5.214  -6.950
  573    H    ILE  78           HN       ILE  78   6.209   1.538  -2.954
  574    HA   ILE  78           HA       ILE  78   7.719   3.099  -1.209
  575    HB   ILE  78           HB       ILE  78   7.110   0.135  -1.020
  576   HG12  ILE  78          HG12      ILE  78   5.104   1.577  -1.119
  577   HG13  ILE  78          HG11      ILE  78   5.281   0.812   0.458
  578   HG21  ILE  78          HG21      ILE  78   7.566   0.358   1.397
  579   HG22  ILE  78          HG22      ILE  78   8.079   2.029   1.134
  580   HG23  ILE  78          HG23      ILE  78   8.991   0.707   0.420
  581   HD11  ILE  78          HD11      ILE  78   6.016   3.649  -0.224
  582   HD12  ILE  78          HD12      ILE  78   6.170   2.892   1.362
  583   HD13  ILE  78          HD13      ILE  78   4.576   3.130   0.651
  584    H    ASN  79           HN       ASN  79   8.569  -0.100  -2.532
  585    HA   ASN  79           HA       ASN  79  11.215   0.006  -1.607
  586    HB2  ASN  79           HB2      ASN  79  10.023  -1.750  -3.759
  587    HB3  ASN  79           HB1      ASN  79  11.661  -1.932  -3.137
  588   HD21  ASN  79          HD21      ASN  79   9.633  -3.903  -3.006
  589   HD22  ASN  79          HD22      ASN  79   9.250  -4.188  -1.347
  590    H    GLY  80           HN       GLY  80   9.814   1.198  -4.532
  591    HA2  GLY  80           HA2      GLY  80  12.174   1.567  -6.025
  592    HA3  GLY  80           HA1      GLY  80  10.696   2.514  -6.179
  593    H    ALA  81           HN       ALA  81  10.431   3.775  -3.846
  594    HA   ALA  81           HA       ALA  81  12.371   5.847  -4.004
  595    HB1  ALA  81           HB1      ALA  81  10.040   6.291  -3.390
  596    HB2  ALA  81           HB2      ALA  81  11.152   6.861  -2.139
  597    HB3  ALA  81           HB3      ALA  81  10.258   5.366  -1.901
  598    H    LEU  82           HN       LEU  82  11.902   3.094  -1.884
  599    HA   LEU  82           HA       LEU  82  13.728   3.751   0.123
  600    HB2  LEU  82           HB2      LEU  82  12.013   2.051   0.353
  601    HB3  LEU  82           HB1      LEU  82  12.732   1.115  -0.944
  602    HG   LEU  82           HG       LEU  82  14.710   0.806   0.417
  603   HD11  LEU  82          HD11      LEU  82  14.603   1.256   2.852
  604   HD12  LEU  82          HD12      LEU  82  13.052   2.065   2.611
  605   HD13  LEU  82          HD13      LEU  82  14.519   2.740   1.896
  606   HD21  LEU  82          HD21      LEU  82  13.722  -0.862   1.945
  607   HD22  LEU  82          HD22      LEU  82  13.012  -0.921   0.332
  608   HD23  LEU  82          HD23      LEU  82  12.136  -0.153   1.659
  609    H    ALA  83           HN       ALA  83  14.036   1.968  -2.931
  610    HA   ALA  83           HA       ALA  83  16.733   1.299  -2.568
  611    HB1  ALA  83           HB1      ALA  83  16.727   0.682  -4.934
  612    HB2  ALA  83           HB2      ALA  83  15.164   1.487  -5.148
  613    HB3  ALA  83           HB3      ALA  83  15.302   0.074  -4.103
  614    H    GLU  84           HN       GLU  84  15.203   4.280  -3.549
  615    HA   GLU  84           HA       GLU  84  17.500   5.367  -4.809
  616    HB2  GLU  84           HB2      GLU  84  14.957   6.602  -3.751
  617    HB3  GLU  84           HB1      GLU  84  16.216   7.495  -4.590
  618    HG2  GLU  84           HG2      GLU  84  15.872   6.052  -6.569
  619    HG3  GLU  84           HG1      GLU  84  14.570   5.239  -5.707
  620    H    ALA  85           HN       ALA  85  16.254   5.119  -1.575
  621    HA   ALA  85           HA       ALA  85  18.125   7.033  -0.470
  622    HB1  ALA  85           HB1      ALA  85  17.296   6.251   1.708
  623    HB2  ALA  85           HB2      ALA  85  16.400   4.959   0.904
  624    HB3  ALA  85           HB3      ALA  85  15.953   6.646   0.636
  625    H    ALA  86           HN       ALA  86  17.834   3.640  -1.013
  626    HA   ALA  86           HA       ALA  86  19.269   1.953  -1.213
  627    HB1  ALA  86           HB1      ALA  86  21.423   4.063  -1.053
  628    HB2  ALA  86           HB2      ALA  86  20.645   3.482  -2.533
  629    HB3  ALA  86           HB3      ALA  86  21.645   2.396  -1.570
  630   H28A  SDO 101          H28A      SDO  42 -11.302  10.696  -2.952
  631   H28B  SDO 101          H28B      SDO  42  -9.742  10.022  -2.476
  632   H30A  SDO 101          H30A      SDO  42 -10.634  12.810  -1.888
  633   H30B  SDO 101          H30B      SDO  42  -9.142  13.636  -2.343
  634   H30C  SDO 101          H30C      SDO  42  -9.078  12.108  -1.450
  635   H31A  SDO 101          H31A      SDO  42  -7.616  11.146  -3.172
  636   H31B  SDO 101          H31B      SDO  42  -7.673  12.613  -4.150
  637   H31C  SDO 101          H31C      SDO  42  -8.141  11.065  -4.854
  638   H32A  SDO 101          H32A      SDO  42 -10.379  12.126  -5.555
  639   H33A  SDO 101          H33A      SDO  42  -9.800  14.590  -4.317
  640   H36A  SDO 101          H36A      SDO  42 -11.569  14.692  -5.484
  641   H37A  SDO 101          H37A      SDO  42 -14.000  14.852  -5.689
  642   H37B  SDO 101          H37B      SDO  42 -14.123  14.164  -4.064
  643   H38A  SDO 101          H38A      SDO  42 -12.845  16.839  -4.738
  644   H38B  SDO 101          H38B      SDO  42 -14.506  16.633  -4.267
  645   H41A  SDO 101          H41A      SDO  42 -13.245  14.321  -2.524
  646   H42A  SDO 101          H42A      SDO  42 -11.646  15.117  -0.550
  647   H42B  SDO 101          H42B      SDO  42 -13.241  15.697  -0.022
  648   H43A  SDO 101          H43A      SDO  42 -12.591  12.922  -0.932
  649   H43B  SDO 101          H43B      SDO  42 -14.080  13.406  -0.125
  650    H1A  SDO 101           H1A      SDO  42 -11.748  14.282   3.327
  651    H1B  SDO 101           H1B      SDO  42 -10.343  13.702   2.469
  652    H2A  SDO 101           H2A      SDO  42 -12.059  15.998   1.619
  653    H2B  SDO 101           H2B      SDO  42 -10.616  15.436   0.816
  654    H4A  SDO 101           H4A      SDO  42  -9.830  17.142   4.648
  655    H4B  SDO 101           H4B      SDO  42  -8.421  16.542   3.825
  656    H5A  SDO 101           H5A      SDO  42  -9.228  14.252   4.027
  657    H5B  SDO 101           H5B      SDO  42 -10.632  14.843   4.920
  658    H6A  SDO 101           H6A      SDO  42  -9.151  15.806   6.608
  659    H6B  SDO 101           H6B      SDO  42  -7.754  15.213   5.734
  660    H8A  SDO 101           H8A      SDO  42  -9.517  12.467   5.123
  661    H8B  SDO 101           H8B      SDO  42 -10.740  12.751   6.370
  662    H8C  SDO 101           H8C      SDO  42  -9.404  11.628   6.676
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  21.444  -4.189   1.897
    2    H2   MET   1           HT2      MET   1  20.882  -5.046   3.248
    3    H3   MET   1           HT3      MET   1  22.526  -4.779   3.059
    4    HA   MET   1           HA       MET   1  21.540  -3.332   4.715
    5    HB2  MET   1           HB2      MET   1  22.399  -1.881   2.193
    6    HB3  MET   1           HB1      MET   1  22.219  -1.111   3.759
    7    HG2  MET   1           HG2      MET   1  24.521  -1.489   3.428
    8    HG3  MET   1           HG1      MET   1  23.987  -2.695   4.598
    9    HE1  MET   1           HE1      MET   1  23.524  -2.635   0.679
   10    HE2  MET   1           HE2      MET   1  24.935  -3.556   0.155
   11    HE3  MET   1           HE3      MET   1  25.147  -1.980   0.913
   12    H    ALA   2           HN       ALA   2  19.459  -4.066   2.245
   13    HA   ALA   2           HA       ALA   2  17.926  -1.610   2.502
   14    HB1  ALA   2           HB1      ALA   2  18.394  -2.416   0.254
   15    HB2  ALA   2           HB2      ALA   2  16.663  -2.421   0.604
   16    HB3  ALA   2           HB3      ALA   2  17.575  -3.931   0.627
   17    H    THR   3           HN       THR   3  16.443  -1.566   4.014
   18    HA   THR   3           HA       THR   3  15.202  -3.951   5.043
   19    HB   THR   3           HB       THR   3  13.897  -2.201   6.368
   20    HG1  THR   3           HG1      THR   3  14.148  -0.545   4.868
   21   HG21  THR   3          HG21      THR   3  16.924  -2.059   6.484
   22   HG22  THR   3          HG22      THR   3  15.907  -3.255   7.293
   23   HG23  THR   3          HG23      THR   3  15.822  -1.557   7.766
   24    H    LEU   4           HN       LEU   4  14.385  -4.546   2.943
   25    HA   LEU   4           HA       LEU   4  12.659  -2.727   1.483
   26    HB2  LEU   4           HB2      LEU   4  14.520  -4.366   0.640
   27    HB3  LEU   4           HB1      LEU   4  13.237  -5.556   0.708
   28    HG   LEU   4           HG       LEU   4  11.933  -4.056  -0.813
   29   HD11  LEU   4          HD11      LEU   4  14.620  -2.681  -1.038
   30   HD12  LEU   4          HD12      LEU   4  13.144  -1.982  -0.367
   31   HD13  LEU   4          HD13      LEU   4  13.232  -2.380  -2.080
   32   HD21  LEU   4          HD21      LEU   4  14.578  -5.121  -1.818
   33   HD22  LEU   4          HD22      LEU   4  13.182  -4.743  -2.814
   34   HD23  LEU   4          HD23      LEU   4  13.088  -6.047  -1.617
   35    H    LEU   5           HN       LEU   5  10.466  -3.160   1.048
   36    HA   LEU   5           HA       LEU   5   9.145  -4.859   2.969
   37    HB2  LEU   5           HB2      LEU   5   8.182  -2.892   0.940
   38    HB3  LEU   5           HB1      LEU   5   7.072  -4.021   1.672
   39    HG   LEU   5           HG       LEU   5   8.702  -1.976   3.178
   40   HD11  LEU   5          HD11      LEU   5   5.764  -2.093   2.493
   41   HD12  LEU   5          HD12      LEU   5   6.937  -1.024   1.731
   42   HD13  LEU   5          HD13      LEU   5   6.560  -0.839   3.447
   43   HD21  LEU   5          HD21      LEU   5   8.212  -3.990   4.474
   44   HD22  LEU   5          HD22      LEU   5   6.504  -3.842   4.051
   45   HD23  LEU   5          HD23      LEU   5   7.278  -2.610   5.048
   46    H    THR   6           HN       THR   6   8.424  -6.791   2.614
   47    HA   THR   6           HA       THR   6   8.409  -7.802  -0.109
   48    HB   THR   6           HB       THR   6   8.033 -10.027   1.158
   49    HG1  THR   6           HG1      THR   6   9.189  -8.558   3.304
   50   HG21  THR   6          HG21      THR   6  10.164  -9.437   0.078
   51   HG22  THR   6          HG22      THR   6  10.452 -10.264   1.608
   52   HG23  THR   6          HG23      THR   6  10.633  -8.515   1.507
   53    H    THR   7           HN       THR   7   6.506  -9.594  -0.268
   54    HA   THR   7           HA       THR   7   4.146  -8.044  -0.175
   55    HB   THR   7           HB       THR   7   4.411 -11.028  -0.689
   56    HG1  THR   7           HG1      THR   7   4.884 -10.438  -2.801
   57   HG21  THR   7          HG21      THR   7   2.405 -10.683  -2.100
   58   HG22  THR   7          HG22      THR   7   2.395  -8.977  -1.672
   59   HG23  THR   7          HG23      THR   7   2.070 -10.197  -0.435
   60    H    ASP   8           HN       ASP   8   5.495 -10.564   1.890
   61    HA   ASP   8           HA       ASP   8   3.250 -10.986   3.569
   62    HB2  ASP   8           HB2      ASP   8   6.196 -11.389   3.943
   63    HB3  ASP   8           HB1      ASP   8   5.126 -11.493   5.333
   64    H    ASP   9           HN       ASP   9   5.966  -8.746   3.794
   65    HA   ASP   9           HA       ASP   9   5.082  -7.712   6.324
   66    HB2  ASP   9           HB2      ASP   9   7.491  -7.677   5.220
   67    HB3  ASP   9           HB1      ASP   9   6.936  -6.117   4.601
   68    H    LEU  10           HN       LEU  10   4.741  -6.726   2.962
   69    HA   LEU  10           HA       LEU  10   3.423  -4.278   3.451
   70    HB2  LEU  10           HB2      LEU  10   4.251  -4.910   1.216
   71    HB3  LEU  10           HB1      LEU  10   3.051  -6.187   1.139
   72    HG   LEU  10           HG       LEU  10   1.288  -4.402   1.341
   73   HD11  LEU  10          HD11      LEU  10   2.640  -2.637   2.270
   74   HD12  LEU  10          HD12      LEU  10   1.885  -2.120   0.758
   75   HD13  LEU  10          HD13      LEU  10   3.592  -2.557   0.786
   76   HD21  LEU  10          HD21      LEU  10   1.803  -5.468  -0.790
   77   HD22  LEU  10          HD22      LEU  10   3.090  -4.290  -1.082
   78   HD23  LEU  10          HD23      LEU  10   1.407  -3.766  -1.025
   79    H    ARG  11           HN       ARG  11   2.286  -7.601   3.162
   80    HA   ARG  11           HA       ARG  11  -0.450  -7.185   3.312
   81    HB2  ARG  11           HB2      ARG  11   0.643  -9.373   2.872
   82    HB3  ARG  11           HB1      ARG  11   1.127  -9.441   4.554
   83    HG2  ARG  11           HG2      ARG  11  -1.178  -9.562   5.270
   84    HG3  ARG  11           HG1      ARG  11  -1.732  -9.369   3.611
   85    HD2  ARG  11           HD2      ARG  11  -1.828 -11.708   4.272
   86    HD3  ARG  11           HD1      ARG  11  -0.617 -11.473   3.008
   87    HE   ARG  11           HE       ARG  11   0.435 -11.313   5.657
   88   HH11  ARG  11          HH11      ARG  11  -0.385 -13.566   3.010
   89   HH12  ARG  11          HH12      ARG  11   0.623 -14.812   3.547
   90   HH21  ARG  11          HH21      ARG  11   1.874 -13.038   6.401
   91   HH22  ARG  11          HH22      ARG  11   1.982 -14.478   5.487
   92    H    ARG  12           HN       ARG  12   1.912  -7.656   5.867
   93    HA   ARG  12           HA       ARG  12   0.369  -7.387   8.151
   94    HB2  ARG  12           HB2      ARG  12   3.131  -6.318   7.605
   95    HB3  ARG  12           HB1      ARG  12   2.381  -6.307   9.184
   96    HG2  ARG  12           HG2      ARG  12   2.351  -8.698   9.248
   97    HG3  ARG  12           HG1      ARG  12   2.922  -8.782   7.577
   98    HD2  ARG  12           HD2      ARG  12   4.685  -9.139   9.347
   99    HD3  ARG  12           HD1      ARG  12   5.037  -7.895   8.147
  100    HE   ARG  12           HE       ARG  12   4.542  -6.225   9.777
  101   HH11  ARG  12          HH11      ARG  12   4.809  -9.493  11.095
  102   HH12  ARG  12          HH12      ARG  12   5.238  -8.994  12.670
  103   HH21  ARG  12          HH21      ARG  12   5.141  -5.501  12.019
  104   HH22  ARG  12          HH22      ARG  12   5.348  -6.676  13.197
  105    H    ALA  13           HN       ALA  13   1.907  -4.810   6.281
  106    HA   ALA  13           HA       ALA  13   0.939  -2.643   7.818
  107    HB1  ALA  13           HB1      ALA  13   2.862  -2.414   6.329
  108    HB2  ALA  13           HB2      ALA  13   1.604  -1.240   5.920
  109    HB3  ALA  13           HB3      ALA  13   1.817  -2.679   4.934
  110    H    LEU  14           HN       LEU  14  -0.287  -4.202   4.892
  111    HA   LEU  14           HA       LEU  14  -2.384  -2.366   4.566
  112    HB2  LEU  14           HB2      LEU  14  -1.309  -3.905   2.841
  113    HB3  LEU  14           HB1      LEU  14  -2.295  -5.180   3.509
  114    HG   LEU  14           HG       LEU  14  -4.330  -3.945   2.883
  115   HD11  LEU  14          HD11      LEU  14  -3.413  -1.676   2.999
  116   HD12  LEU  14          HD12      LEU  14  -4.147  -1.980   1.425
  117   HD13  LEU  14          HD13      LEU  14  -2.394  -2.011   1.601
  118   HD21  LEU  14          HD21      LEU  14  -3.371  -5.586   1.349
  119   HD22  LEU  14          HD22      LEU  14  -2.359  -4.334   0.637
  120   HD23  LEU  14          HD23      LEU  14  -4.113  -4.252   0.466
  121    H    VAL  15           HN       VAL  15  -2.005  -5.098   6.644
  122    HA   VAL  15           HA       VAL  15  -4.813  -5.439   7.225
  123    HB   VAL  15           HB       VAL  15  -2.389  -6.238   8.862
  124   HG11  VAL  15          HG11      VAL  15  -3.904  -7.789  10.054
  125   HG12  VAL  15          HG12      VAL  15  -5.271  -7.118   9.156
  126   HG13  VAL  15          HG13      VAL  15  -4.374  -6.102  10.282
  127   HG21  VAL  15          HG21      VAL  15  -4.105  -7.866   7.000
  128   HG22  VAL  15          HG22      VAL  15  -2.817  -8.507   8.031
  129   HG23  VAL  15          HG23      VAL  15  -2.428  -7.369   6.744
  130    H    GLU  16           HN       GLU  16  -2.188  -3.520   8.450
  131    HA   GLU  16           HA       GLU  16  -3.138  -2.637  10.916
  132    HB2  GLU  16           HB2      GLU  16  -1.429  -1.204   8.884
  133    HB3  GLU  16           HB1      GLU  16  -1.626  -0.708  10.557
  134    HG2  GLU  16           HG2      GLU  16  -0.676  -3.447   9.876
  135    HG3  GLU  16           HG1      GLU  16   0.452  -2.098   9.883
  136    H    SER  17           HN       SER  17  -3.644  -1.290   7.694
  137    HA   SER  17           HA       SER  17  -5.318   0.822   8.745
  138    HB2  SER  17           HB2      SER  17  -4.688   0.085   5.880
  139    HB3  SER  17           HB1      SER  17  -5.384   1.605   6.444
  140    HG   SER  17           HG       SER  17  -3.495   2.142   7.402
  141    H    ALA  18           HN       ALA  18  -5.732  -2.395   7.822
  142    HA   ALA  18           HA       ALA  18  -8.337  -2.162   6.623
  143    HB1  ALA  18           HB1      ALA  18  -8.335  -4.599   6.552
  144    HB2  ALA  18           HB2      ALA  18  -6.881  -4.635   7.558
  145    HB3  ALA  18           HB3      ALA  18  -6.812  -3.954   5.934
  146    H    GLY  19           HN       GLY  19  -7.352  -1.782   9.642
  147    HA2  GLY  19           HA2      GLY  19  -9.115  -3.235  11.269
  148    HA3  GLY  19           HA1      GLY  19  -8.435  -1.667  11.682
  149    H    GLU  20           HN       GLU  20  -9.588  -0.326   9.355
  150    HA   GLU  20           HA       GLU  20 -12.402  -0.723   9.636
  151    HB2  GLU  20           HB2      GLU  20 -11.909   0.784  11.528
  152    HB3  GLU  20           HB1      GLU  20 -11.205   1.941  10.408
  153    HG2  GLU  20           HG2      GLU  20 -13.358   2.215   9.320
  154    HG3  GLU  20           HG1      GLU  20 -14.074   1.045  10.427
  155    H    THR  21           HN       THR  21 -12.013  -1.363   7.515
  156    HA   THR  21           HA       THR  21 -12.873   0.560   5.690
  157    HB   THR  21           HB       THR  21 -10.441   1.123   5.597
  158    HG1  THR  21           HG1      THR  21 -11.467  -0.175   3.291
  159   HG21  THR  21          HG21      THR  21  -8.816  -0.476   4.676
  160   HG22  THR  21          HG22      THR  21 -10.068  -1.722   4.645
  161   HG23  THR  21          HG23      THR  21  -9.513  -1.065   6.182
  162    H    ASP  22           HN       ASP  22 -13.788  -1.715   6.834
  163    HA   ASP  22           HA       ASP  22 -14.889  -3.588   6.517
  164    HB2  ASP  22           HB2      ASP  22 -15.537  -2.726   4.291
  165    HB3  ASP  22           HB1      ASP  22 -14.150  -3.548   3.581
  166    H    GLY  23           HN       GLY  23 -14.388  -5.434   7.226
  167    HA2  GLY  23           HA2      GLY  23 -11.635  -6.079   7.155
  168    HA3  GLY  23           HA1      GLY  23 -12.832  -6.940   8.128
  169    H    THR  24           HN       THR  24 -11.285  -6.632   5.045
  170    HA   THR  24           HA       THR  24 -12.500  -9.015   3.954
  171    HB   THR  24           HB       THR  24 -10.981  -8.450   2.000
  172    HG1  THR  24           HG1      THR  24 -10.523  -5.877   2.886
  173   HG21  THR  24          HG21      THR  24 -12.276  -6.468   1.332
  174   HG22  THR  24          HG22      THR  24 -12.820  -6.254   2.996
  175   HG23  THR  24          HG23      THR  24 -13.313  -7.681   2.082
  176    H    ASP  25           HN       ASP  25 -10.316 -10.124   2.554
  177    HA   ASP  25           HA       ASP  25  -8.479 -10.904   4.677
  178    HB2  ASP  25           HB2      ASP  25 -10.033 -12.762   4.462
  179    HB3  ASP  25           HB1      ASP  25  -9.789 -12.809   2.711
  180    H    LEU  26           HN       LEU  26  -6.450 -11.326   4.122
  181    HA   LEU  26           HA       LEU  26  -5.631 -10.587   1.392
  182    HB2  LEU  26           HB2      LEU  26  -4.341  -9.920   4.043
  183    HB3  LEU  26           HB1      LEU  26  -3.527  -9.736   2.513
  184    HG   LEU  26           HG       LEU  26  -5.246  -7.996   1.894
  185   HD11  LEU  26          HD11      LEU  26  -7.053  -8.651   3.407
  186   HD12  LEU  26          HD12      LEU  26  -6.563  -6.973   3.672
  187   HD13  LEU  26          HD13      LEU  26  -6.042  -8.234   4.791
  188   HD21  LEU  26          HD21      LEU  26  -4.268  -6.282   3.312
  189   HD22  LEU  26          HD22      LEU  26  -3.054  -7.418   2.724
  190   HD23  LEU  26          HD23      LEU  26  -3.642  -7.532   4.385
  191    H    SER  27           HN       SER  27  -6.060 -13.241   3.079
  192    HA   SER  27           HA       SER  27  -3.330 -14.140   3.161
  193    HB2  SER  27           HB2      SER  27  -5.779 -15.602   4.165
  194    HB3  SER  27           HB1      SER  27  -4.094 -15.894   4.606
  195    HG   SER  27           HG       SER  27  -5.878 -13.974   5.414
  196    H    GLY  28           HN       GLY  28  -6.143 -14.472   1.500
  197    HA2  GLY  28           HA2      GLY  28  -5.333 -16.846  -0.036
  198    HA3  GLY  28           HA1      GLY  28  -6.783 -15.895  -0.341
  199    H    ASP  29           HN       ASP  29  -4.118 -14.024   0.052
  200    HA   ASP  29           HA       ASP  29  -2.778 -12.816  -1.099
  201    HB2  ASP  29           HB2      ASP  29  -3.204 -14.792  -3.265
  202    HB3  ASP  29           HB1      ASP  29  -2.540 -13.213  -3.692
  203    H    PHE  30           HN       PHE  30  -2.927 -10.990  -1.420
  204    HA   PHE  30           HA       PHE  30  -5.348  -9.835  -2.609
  205    HB2  PHE  30           HB2      PHE  30  -4.716  -7.844  -1.287
  206    HB3  PHE  30           HB1      PHE  30  -4.871  -9.257  -0.246
  207    HD1  PHE  30           HD2      PHE  30  -2.759 -10.448   0.477
  208    HD2  PHE  30           HD1      PHE  30  -2.671  -6.606  -1.373
  209    HE1  PHE  30           HE2      PHE  30  -0.503 -10.057   1.376
  210    HE2  PHE  30           HE1      PHE  30  -0.442  -6.223  -0.474
  211    HZ   PHE  30           HZ       PHE  30   0.708  -7.954   0.768
  212    H    LEU  31           HN       LEU  31  -2.328 -10.702  -3.373
  213    HA   LEU  31           HA       LEU  31  -1.159  -8.287  -4.394
  214    HB2  LEU  31           HB2      LEU  31   0.102 -10.209  -3.440
  215    HB3  LEU  31           HB1      LEU  31  -0.389 -11.163  -4.822
  216    HG   LEU  31           HG       LEU  31   0.854  -9.609  -6.294
  217   HD11  LEU  31          HD11      LEU  31   0.795  -7.624  -4.881
  218   HD12  LEU  31          HD12      LEU  31   2.453  -8.059  -5.295
  219   HD13  LEU  31          HD13      LEU  31   1.815  -8.433  -3.695
  220   HD21  LEU  31          HD21      LEU  31   1.846 -11.697  -5.502
  221   HD22  LEU  31          HD22      LEU  31   2.472 -10.859  -4.079
  222   HD23  LEU  31          HD23      LEU  31   3.061 -10.435  -5.681
  223    H    ASP  32           HN       ASP  32  -2.991 -10.971  -5.595
  224    HA   ASP  32           HA       ASP  32  -2.812 -10.155  -8.402
  225    HB2  ASP  32           HB2      ASP  32  -3.818 -12.368  -8.774
  226    HB3  ASP  32           HB1      ASP  32  -2.362 -12.523  -7.792
  227    H    LEU  33           HN       LEU  33  -4.301  -8.874  -6.133
  228    HA   LEU  33           HA       LEU  33  -7.056  -9.164  -7.080
  229    HB2  LEU  33           HB2      LEU  33  -6.408 -10.223  -4.841
  230    HB3  LEU  33           HB1      LEU  33  -6.143  -8.597  -4.264
  231    HG   LEU  33           HG       LEU  33  -8.530  -8.100  -4.613
  232   HD11  LEU  33          HD11      LEU  33 -10.071  -9.953  -5.091
  233   HD12  LEU  33          HD12      LEU  33  -8.697 -11.039  -5.319
  234   HD13  LEU  33          HD13      LEU  33  -8.957  -9.695  -6.435
  235   HD21  LEU  33          HD21      LEU  33  -7.905 -10.538  -2.957
  236   HD22  LEU  33          HD22      LEU  33  -9.336  -9.520  -2.785
  237   HD23  LEU  33          HD23      LEU  33  -7.735  -8.851  -2.459
  238    H    ARG  34           HN       ARG  34  -8.239  -6.997  -6.005
  239    HA   ARG  34           HA       ARG  34  -6.488  -4.754  -6.770
  240    HB2  ARG  34           HB2      ARG  34  -9.463  -4.980  -7.292
  241    HB3  ARG  34           HB1      ARG  34  -8.428  -3.649  -7.781
  242    HG2  ARG  34           HG2      ARG  34  -7.224  -5.181  -9.299
  243    HG3  ARG  34           HG1      ARG  34  -8.312  -6.482  -8.819
  244    HD2  ARG  34           HD2      ARG  34  -9.109  -5.600 -10.894
  245    HD3  ARG  34           HD1      ARG  34 -10.224  -5.083  -9.634
  246    HE   ARG  34           HE       ARG  34  -8.073  -3.258 -10.347
  247   HH11  ARG  34          HH11      ARG  34 -11.528  -4.054 -10.825
  248   HH12  ARG  34          HH12      ARG  34 -11.915  -2.470 -11.317
  249   HH21  ARG  34          HH21      ARG  34  -8.643  -1.188 -11.103
  250   HH22  ARG  34          HH22      ARG  34 -10.263  -0.809 -11.522
  251    H    PHE  35           HN       PHE  35  -7.060  -2.722  -5.712
  252    HA   PHE  35           HA       PHE  35  -7.455  -3.055  -2.964
  253    HB2  PHE  35           HB2      PHE  35  -7.533  -0.518  -4.597
  254    HB3  PHE  35           HB1      PHE  35  -7.674  -0.549  -2.846
  255    HD1  PHE  35           HD2      PHE  35  -5.803  -1.438  -1.478
  256    HD2  PHE  35           HD1      PHE  35  -5.416  -0.706  -5.647
  257    HE1  PHE  35           HE2      PHE  35  -3.361  -1.464  -1.250
  258    HE2  PHE  35           HE1      PHE  35  -2.977  -0.732  -5.428
  259    HZ   PHE  35           HZ       PHE  35  -1.939  -1.114  -3.228
  260    H    GLU  36           HN       GLU  36  -9.829  -2.521  -5.399
  261    HA   GLU  36           HA       GLU  36 -11.809  -1.595  -3.580
  262    HB2  GLU  36           HB2      GLU  36 -13.387  -1.889  -5.438
  263    HB3  GLU  36           HB1      GLU  36 -11.974  -0.940  -5.873
  264    HG2  GLU  36           HG2      GLU  36 -11.006  -2.872  -6.988
  265    HG3  GLU  36           HG1      GLU  36 -12.429  -3.827  -6.545
  266    H    ASP  37           HN       ASP  37 -10.661  -4.740  -4.424
  267    HA   ASP  37           HA       ASP  37 -13.050  -6.113  -3.585
  268    HB2  ASP  37           HB2      ASP  37 -11.384  -7.179  -5.111
  269    HB3  ASP  37           HB1      ASP  37 -10.233  -7.211  -3.777
  270    H    ILE  38           HN       ILE  38 -10.015  -5.114  -2.231
  271    HA   ILE  38           HA       ILE  38 -10.581  -6.403   0.266
  272    HB   ILE  38           HB       ILE  38  -8.392  -5.486   1.038
  273   HG12  ILE  38          HG12      ILE  38  -8.244  -4.427  -1.796
  274   HG13  ILE  38          HG11      ILE  38  -8.333  -3.455  -0.335
  275   HG21  ILE  38          HG21      ILE  38  -8.572  -7.698  -0.025
  276   HG22  ILE  38          HG22      ILE  38  -7.029  -6.907  -0.346
  277   HG23  ILE  38          HG23      ILE  38  -8.271  -6.939  -1.605
  278   HD11  ILE  38          HD11      ILE  38  -6.069  -3.526  -1.226
  279   HD12  ILE  38          HD12      ILE  38  -6.074  -5.290  -1.092
  280   HD13  ILE  38          HD13      ILE  38  -6.152  -4.297   0.362
  281    H    GLY  39           HN       GLY  39 -12.102  -4.048  -0.828
  282    HA2  GLY  39           HA2      GLY  39 -13.504  -2.537   0.155
  283    HA3  GLY  39           HA1      GLY  39 -12.862  -3.027   1.702
  284    H    TYR  40           HN       TYR  40 -10.407  -1.942  -0.357
  285    HA   TYR  40           HA       TYR  40 -10.021   0.234   1.394
  286    HB2  TYR  40           HB2      TYR  40  -8.360  -0.985  -0.702
  287    HB3  TYR  40           HB1      TYR  40  -8.056   0.718  -0.350
  288    HD1  TYR  40           HD2      TYR  40  -8.162  -2.663   1.127
  289    HD2  TYR  40           HD1      TYR  40  -7.127   1.416   1.664
  290    HE1  TYR  40           HE2      TYR  40  -6.991  -3.252   3.177
  291    HE2  TYR  40           HE1      TYR  40  -5.954   0.860   3.740
  292    HH   TYR  40           HH       TYR  40  -5.319  -2.348   4.718
  293    H    ASP  41           HN       ASP  41 -10.480   2.102   1.408
  294    HA   ASP  41           HA       ASP  41 -12.039   3.391  -0.628
  295    HB2  ASP  41           HB2      ASP  41 -12.273   3.746   1.929
  296    HB3  ASP  41           HB1      ASP  41 -10.737   4.593   1.784
  297    H    SER  42           HN       SER  42 -11.314   5.752  -0.933
  298    HA   SER  42           HA       SER  42  -8.974   5.714  -2.580
  299    HB2  SER  42           HB2      SER  42 -11.017   6.710  -3.397
  300    HB3  SER  42           HB1      SER  42 -11.160   7.715  -1.963
  301    H    LEU  43           HN       LEU  43 -10.142   7.463   0.302
  302    HA   LEU  43           HA       LEU  43  -7.712   8.895   0.772
  303    HB2  LEU  43           HB2      LEU  43 -10.065   8.299   2.577
  304    HB3  LEU  43           HB1      LEU  43  -8.731   9.346   3.011
  305    HG   LEU  43           HG       LEU  43 -10.659   9.856   0.745
  306   HD11  LEU  43          HD11      LEU  43 -11.565  11.605   2.197
  307   HD12  LEU  43          HD12      LEU  43 -10.488  11.080   3.492
  308   HD13  LEU  43          HD13      LEU  43 -11.754  10.001   2.912
  309   HD21  LEU  43          HD21      LEU  43  -8.510  11.551   1.986
  310   HD22  LEU  43          HD22      LEU  43  -9.653  12.098   0.749
  311   HD23  LEU  43          HD23      LEU  43  -8.470  10.840   0.374
  312    H    ALA  44           HN       ALA  44  -8.999   5.839   1.620
  313    HA   ALA  44           HA       ALA  44  -7.391   5.235   3.851
  314    HB1  ALA  44           HB1      ALA  44  -8.621   3.291   1.905
  315    HB2  ALA  44           HB2      ALA  44  -9.438   3.986   3.308
  316    HB3  ALA  44           HB3      ALA  44  -8.050   2.926   3.530
  317    H    LEU  45           HN       LEU  45  -6.791   4.979   0.395
  318    HA   LEU  45           HA       LEU  45  -4.444   3.381   0.718
  319    HB2  LEU  45           HB2      LEU  45  -5.803   3.453  -1.333
  320    HB3  LEU  45           HB1      LEU  45  -5.261   5.092  -1.613
  321    HG   LEU  45           HG       LEU  45  -3.244   4.384  -2.520
  322   HD11  LEU  45          HD11      LEU  45  -3.365   1.913  -0.752
  323   HD12  LEU  45          HD12      LEU  45  -2.450   3.373  -0.354
  324   HD13  LEU  45          HD13      LEU  45  -2.018   2.423  -1.776
  325   HD21  LEU  45          HD21      LEU  45  -3.519   2.312  -3.656
  326   HD22  LEU  45          HD22      LEU  45  -5.110   3.152  -3.587
  327   HD23  LEU  45          HD23      LEU  45  -4.684   1.877  -2.408
  328    H    MET  46           HN       MET  46  -5.142   6.797   0.697
  329    HA   MET  46           HA       MET  46  -2.487   7.851   0.538
  330    HB2  MET  46           HB2      MET  46  -4.646   8.926   2.350
  331    HB3  MET  46           HB1      MET  46  -3.355   9.839   1.573
  332    HG2  MET  46           HG2      MET  46  -4.518   9.272  -0.580
  333    HG3  MET  46           HG1      MET  46  -5.775   8.612   0.469
  334    HE1  MET  46           HE1      MET  46  -3.648  11.747   1.434
  335    HE2  MET  46           HE2      MET  46  -4.599  13.069   0.747
  336    HE3  MET  46           HE3      MET  46  -3.777  11.924  -0.311
  337    H    GLU  47           HN       GLU  47  -4.634   7.005   3.091
  338    HA   GLU  47           HA       GLU  47  -3.055   7.320   5.314
  339    HB2  GLU  47           HB2      GLU  47  -5.430   5.983   4.450
  340    HB3  GLU  47           HB1      GLU  47  -4.932   5.500   6.095
  341    HG2  GLU  47           HG2      GLU  47  -4.941   8.112   6.406
  342    HG3  GLU  47           HG1      GLU  47  -5.882   8.099   4.909
  343    H    THR  48           HN       THR  48  -3.449   4.475   3.229
  344    HA   THR  48           HA       THR  48  -1.896   2.600   4.646
  345    HB   THR  48           HB       THR  48  -2.237   2.941   1.648
  346    HG1  THR  48           HG1      THR  48  -4.153   2.549   3.270
  347   HG21  THR  48          HG21      THR  48  -1.792   0.562   1.477
  348   HG22  THR  48          HG22      THR  48  -1.490   0.450   3.224
  349   HG23  THR  48          HG23      THR  48  -0.415   1.387   2.198
  350    H    ALA  49           HN       ALA  49  -1.074   4.700   1.910
  351    HA   ALA  49           HA       ALA  49   1.644   4.125   1.697
  352    HB1  ALA  49           HB1      ALA  49   1.812   6.163   0.357
  353    HB2  ALA  49           HB2      ALA  49   0.242   6.692   0.959
  354    HB3  ALA  49           HB3      ALA  49   0.357   5.253  -0.052
  355    H    ALA  50           HN       ALA  50   0.027   6.752   3.444
  356    HA   ALA  50           HA       ALA  50   2.269   8.089   4.388
  357    HB1  ALA  50           HB1      ALA  50   0.799   9.035   6.093
  358    HB2  ALA  50           HB2      ALA  50  -0.395   7.781   5.758
  359    HB3  ALA  50           HB3      ALA  50  -0.011   8.981   4.525
  360    H    ARG  51           HN       ARG  51   0.592   5.296   5.722
  361    HA   ARG  51           HA       ARG  51   1.912   5.141   8.181
  362    HB2  ARG  51           HB2      ARG  51  -0.126   3.854   7.746
  363    HB3  ARG  51           HB1      ARG  51   0.662   2.961   6.464
  364    HG2  ARG  51           HG2      ARG  51   0.738   1.382   8.066
  365    HG3  ARG  51           HG1      ARG  51   2.233   2.211   8.461
  366    HD2  ARG  51           HD2      ARG  51   0.870   1.662  10.395
  367    HD3  ARG  51           HD1      ARG  51   1.112   3.398  10.329
  368    HE   ARG  51           HE       ARG  51  -1.208   3.258   9.121
  369   HH11  ARG  51          HH11      ARG  51  -0.247   1.261  11.925
  370   HH12  ARG  51          HH12      ARG  51  -1.846   1.069  12.469
  371   HH21  ARG  51          HH21      ARG  51  -3.344   2.986   9.897
  372   HH22  ARG  51          HH22      ARG  51  -3.638   2.075  11.328
  373    H    LEU  52           HN       LEU  52   2.701   4.003   4.992
  374    HA   LEU  52           HA       LEU  52   4.985   2.502   5.848
  375    HB2  LEU  52           HB2      LEU  52   4.004   3.270   3.106
  376    HB3  LEU  52           HB1      LEU  52   5.384   2.228   3.404
  377    HG   LEU  52           HG       LEU  52   2.534   1.614   4.222
  378   HD11  LEU  52          HD11      LEU  52   2.818   1.499   1.828
  379   HD12  LEU  52          HD12      LEU  52   2.650  -0.120   2.521
  380   HD13  LEU  52          HD13      LEU  52   4.237   0.470   2.028
  381   HD21  LEU  52          HD21      LEU  52   4.155   0.675   5.765
  382   HD22  LEU  52          HD22      LEU  52   5.063  -0.021   4.420
  383   HD23  LEU  52          HD23      LEU  52   3.436  -0.604   4.782
  384    H    GLU  53           HN       GLU  53   4.366   5.638   4.351
  385    HA   GLU  53           HA       GLU  53   7.008   6.427   3.949
  386    HB2  GLU  53           HB2      GLU  53   4.643   8.171   4.692
  387    HB3  GLU  53           HB1      GLU  53   6.189   8.764   4.139
  388    HG2  GLU  53           HG2      GLU  53   5.814   7.606   1.987
  389    HG3  GLU  53           HG1      GLU  53   4.216   7.125   2.564
  390    H    SER  54           HN       SER  54   4.916   6.687   6.861
  391    HA   SER  54           HA       SER  54   6.790   8.127   8.332
  392    HB2  SER  54           HB2      SER  54   5.399   7.266  10.309
  393    HB3  SER  54           HB1      SER  54   4.569   8.232   9.085
  394    HG   SER  54           HG       SER  54   4.582   5.376   9.159
  395    H    ARG  55           HN       ARG  55   6.493   4.723   7.716
  396    HA   ARG  55           HA       ARG  55   8.181   3.952   9.910
  397    HB2  ARG  55           HB2      ARG  55   6.413   2.461   9.029
  398    HB3  ARG  55           HB1      ARG  55   7.292   2.332   7.516
  399    HG2  ARG  55           HG2      ARG  55   9.138   1.234   8.657
  400    HG3  ARG  55           HG1      ARG  55   8.306   1.419  10.206
  401    HD2  ARG  55           HD2      ARG  55   6.445   0.047   9.280
  402    HD3  ARG  55           HD1      ARG  55   7.420  -0.225   7.835
  403    HE   ARG  55           HE       ARG  55   8.699  -0.940  10.327
  404   HH11  ARG  55          HH11      ARG  55   6.893  -2.145   7.533
  405   HH12  ARG  55          HH12      ARG  55   7.139  -3.777   7.882
  406   HH21  ARG  55          HH21      ARG  55   9.038  -3.097  10.834
  407   HH22  ARG  55          HH22      ARG  55   8.366  -4.375   9.910
  408    H    TYR  56           HN       TYR  56   8.606   4.345   6.401
  409    HA   TYR  56           HA       TYR  56  11.404   3.578   6.779
  410    HB2  TYR  56           HB2      TYR  56   9.716   3.532   4.308
  411    HB3  TYR  56           HB1      TYR  56  11.448   3.223   4.333
  412    HD1  TYR  56           HD1      TYR  56  12.293   1.355   5.820
  413    HD2  TYR  56           HD2      TYR  56   8.207   1.812   4.786
  414    HE1  TYR  56           HE1      TYR  56  11.893  -0.992   6.428
  415    HE2  TYR  56           HE2      TYR  56   7.788  -0.533   5.389
  416    HH   TYR  56           HH       TYR  56  10.066  -2.427   7.088
  417    H    GLY  57           HN       GLY  57   9.594   6.394   6.097
  418    HA2  GLY  57           HA2      GLY  57  10.438   8.522   5.832
  419    HA3  GLY  57           HA1      GLY  57  12.053   7.815   5.777
  420    H    VAL  58           HN       VAL  58   9.257   7.174   3.740
  421    HA   VAL  58           HA       VAL  58  10.897   7.937   1.435
  422    HB   VAL  58           HB       VAL  58   9.503   6.508   0.016
  423   HG11  VAL  58          HG11      VAL  58  11.483   5.529   1.011
  424   HG12  VAL  58          HG12      VAL  58  10.205   4.321   0.853
  425   HG13  VAL  58          HG13      VAL  58  10.542   5.048   2.426
  426   HG21  VAL  58          HG21      VAL  58   7.396   6.630   1.193
  427   HG22  VAL  58          HG22      VAL  58   8.070   5.733   2.559
  428   HG23  VAL  58          HG23      VAL  58   7.878   4.945   0.988
  429    H    SER  59           HN       SER  59   9.036   8.292  -0.529
  430    HA   SER  59           HA       SER  59   7.223  10.369   0.436
  431    HB2  SER  59           HB2      SER  59   9.192  10.790  -1.819
  432    HB3  SER  59           HB1      SER  59   8.087  11.972  -1.139
  433    HG   SER  59           HG       SER  59   9.243  11.873   0.802
  434    H    ILE  60           HN       ILE  60   5.300   9.737  -0.415
  435    HA   ILE  60           HA       ILE  60   5.249   9.103  -3.283
  436    HB   ILE  60           HB       ILE  60   3.561   7.777  -1.130
  437   HG12  ILE  60          HG12      ILE  60   5.509   6.634  -3.145
  438   HG13  ILE  60          HG11      ILE  60   5.770   6.762  -1.414
  439   HG21  ILE  60          HG21      ILE  60   3.273   7.492  -4.126
  440   HG22  ILE  60          HG22      ILE  60   2.142   8.311  -3.050
  441   HG23  ILE  60          HG23      ILE  60   2.388   6.573  -2.903
  442   HD11  ILE  60          HD11      ILE  60   3.941   5.195  -1.020
  443   HD12  ILE  60          HD12      ILE  60   5.187   4.498  -2.058
  444   HD13  ILE  60          HD13      ILE  60   3.677   5.075  -2.760
  445    HA   PRO  61           HA       PRO  61   2.487  12.645  -3.272
  446    HB2  PRO  61           HB2      PRO  61   2.048  11.758  -6.074
  447    HB3  PRO  61           HB1      PRO  61   2.576  13.330  -5.473
  448    HG2  PRO  61           HG2      PRO  61   4.297  11.716  -6.687
  449    HG3  PRO  61           HG1      PRO  61   4.799  12.661  -5.274
  450    HD2  PRO  61           HD2      PRO  61   4.020   9.769  -5.437
  451    HD3  PRO  61           HD1      PRO  61   5.386  10.522  -4.575
  452    H    ASP  62           HN       ASP  62   0.225  12.876  -3.259
  453    HA   ASP  62           HA       ASP  62  -1.164  10.556  -2.406
  454    HB2  ASP  62           HB2      ASP  62  -3.087  11.953  -2.047
  455    HB3  ASP  62           HB1      ASP  62  -1.660  12.873  -1.582
  456    H    ASP  63           HN       ASP  63  -1.269  12.358  -5.434
  457    HA   ASP  63           HA       ASP  63  -3.495  10.883  -6.411
  458    HB2  ASP  63           HB2      ASP  63  -3.200  12.067  -8.476
  459    HB3  ASP  63           HB1      ASP  63  -2.943  13.204  -7.157
  460    H    VAL  64           HN       VAL  64  -0.163  10.324  -6.213
  461    HA   VAL  64           HA       VAL  64  -0.100   8.410  -8.372
  462    HB   VAL  64           HB       VAL  64   1.999   9.047  -6.249
  463   HG11  VAL  64          HG11      VAL  64   3.582   7.764  -7.605
  464   HG12  VAL  64          HG12      VAL  64   2.299   7.356  -8.741
  465   HG13  VAL  64          HG13      VAL  64   2.246   6.735  -7.089
  466   HG21  VAL  64          HG21      VAL  64   1.838   9.787  -9.167
  467   HG22  VAL  64          HG22      VAL  64   3.189  10.138  -8.084
  468   HG23  VAL  64          HG23      VAL  64   1.610  10.871  -7.791
  469    H    ALA  65           HN       ALA  65  -0.698   8.441  -4.940
  470    HA   ALA  65           HA       ALA  65  -0.618   5.632  -4.568
  471    HB1  ALA  65           HB1      ALA  65  -1.998   6.106  -2.582
  472    HB2  ALA  65           HB2      ALA  65  -2.193   7.774  -3.133
  473    HB3  ALA  65           HB3      ALA  65  -0.594   7.177  -2.672
  474    H    GLY  66           HN       GLY  66  -2.901   7.963  -5.732
  475    HA2  GLY  66           HA2      GLY  66  -5.034   6.031  -6.040
  476    HA3  GLY  66           HA1      GLY  66  -5.086   7.729  -6.501
  477    H    ARG  67           HN       ARG  67  -2.288   6.252  -7.593
  478    HA   ARG  67           HA       ARG  67  -3.309   6.109 -10.324
  479    HB2  ARG  67           HB2      ARG  67  -0.580   6.339  -9.142
  480    HB3  ARG  67           HB1      ARG  67  -0.770   5.681 -10.756
  481    HG2  ARG  67           HG2      ARG  67  -1.752   8.383  -9.876
  482    HG3  ARG  67           HG1      ARG  67  -0.236   8.071 -10.724
  483    HD2  ARG  67           HD2      ARG  67  -3.027   7.513 -11.724
  484    HD3  ARG  67           HD1      ARG  67  -1.920   8.754 -12.317
  485    HE   ARG  67           HE       ARG  67  -1.185   5.916 -12.468
  486   HH11  ARG  67          HH11      ARG  67  -1.626   9.018 -14.086
  487   HH12  ARG  67          HH12      ARG  67  -1.226   8.466 -15.633
  488   HH21  ARG  67          HH21      ARG  67  -0.662   5.088 -14.518
  489   HH22  ARG  67          HH22      ARG  67  -0.600   6.065 -15.903
  490    H    VAL  68           HN       VAL  68  -2.301   4.098  -7.748
  491    HA   VAL  68           HA       VAL  68  -1.585   2.009  -9.539
  492    HB   VAL  68           HB       VAL  68  -1.102   0.593  -7.575
  493   HG11  VAL  68          HG11      VAL  68   0.621   2.030  -8.459
  494   HG12  VAL  68          HG12      VAL  68   0.750   1.953  -6.702
  495   HG13  VAL  68          HG13      VAL  68   0.048   3.376  -7.477
  496   HG21  VAL  68          HG21      VAL  68  -2.766   1.396  -5.981
  497   HG22  VAL  68          HG22      VAL  68  -1.997   2.991  -5.964
  498   HG23  VAL  68          HG23      VAL  68  -1.133   1.587  -5.328
  499    H    ASP  69           HN       ASP  69  -2.528  -0.311  -8.910
  500    HA   ASP  69           HA       ASP  69  -5.486  -0.115  -8.664
  501    HB2  ASP  69           HB2      ASP  69  -4.540  -0.313 -11.117
  502    HB3  ASP  69           HB1      ASP  69  -4.116  -1.932 -10.623
  503    H    THR  70           HN       THR  70  -2.624  -2.027  -8.884
  504    HA   THR  70           HA       THR  70  -3.747  -4.077  -7.141
  505    HB   THR  70           HB       THR  70  -1.993  -5.550  -8.166
  506    HG1  THR  70           HG1      THR  70  -1.449  -3.126  -9.546
  507   HG21  THR  70          HG21      THR  70  -4.252  -5.544  -9.105
  508   HG22  THR  70          HG22      THR  70  -3.059  -5.713 -10.398
  509   HG23  THR  70          HG23      THR  70  -3.836  -4.152 -10.105
  510    HA   PRO  71           HA       PRO  71  -1.111  -2.774  -3.819
  511    HB2  PRO  71           HB2      PRO  71  -0.643  -5.690  -3.413
  512    HB3  PRO  71           HB1      PRO  71  -1.168  -4.453  -2.252
  513    HG2  PRO  71           HG2      PRO  71  -2.958  -6.116  -3.219
  514    HG3  PRO  71           HG1      PRO  71  -3.338  -4.385  -3.125
  515    HD2  PRO  71           HD2      PRO  71  -2.493  -6.009  -5.501
  516    HD3  PRO  71           HD1      PRO  71  -3.791  -4.805  -5.379
  517    H    ARG  72           HN       ARG  72   0.174  -5.060  -6.106
  518    HA   ARG  72           HA       ARG  72   2.856  -4.995  -5.209
  519    HB2  ARG  72           HB2      ARG  72   3.437  -5.823  -7.511
  520    HB3  ARG  72           HB1      ARG  72   2.284  -6.803  -6.614
  521    HG2  ARG  72           HG2      ARG  72   0.457  -5.768  -7.921
  522    HG3  ARG  72           HG1      ARG  72   1.681  -4.898  -8.868
  523    HD2  ARG  72           HD2      ARG  72   2.614  -6.937  -9.656
  524    HD3  ARG  72           HD1      ARG  72   1.615  -7.878  -8.549
  525    HE   ARG  72           HE       ARG  72   0.436  -6.273 -10.690
  526   HH11  ARG  72          HH11      ARG  72   0.974  -9.453  -9.128
  527   HH12  ARG  72          HH12      ARG  72  -0.193 -10.262 -10.059
  528   HH21  ARG  72          HH21      ARG  72  -1.196  -7.445 -11.984
  529   HH22  ARG  72          HH22      ARG  72  -1.451  -9.095 -11.726
  530    H    GLU  73           HN       GLU  73   1.045  -2.844  -7.243
  531    HA   GLU  73           HA       GLU  73   3.292  -1.442  -8.292
  532    HB2  GLU  73           HB2      GLU  73   0.414  -0.613  -7.986
  533    HB3  GLU  73           HB1      GLU  73   1.609   0.188  -8.997
  534    HG2  GLU  73           HG2      GLU  73   1.765  -1.683 -10.444
  535    HG3  GLU  73           HG1      GLU  73   0.778  -2.668  -9.352
  536    H    LEU  74           HN       LEU  74   1.249  -1.203  -5.492
  537    HA   LEU  74           HA       LEU  74   1.961   1.361  -4.480
  538    HB2  LEU  74           HB2      LEU  74   0.084  -0.310  -3.783
  539    HB3  LEU  74           HB1      LEU  74   1.362  -1.071  -2.847
  540    HG   LEU  74           HG       LEU  74   0.231   1.711  -2.418
  541   HD11  LEU  74          HD11      LEU  74  -1.303  -0.027  -1.767
  542   HD12  LEU  74          HD12      LEU  74  -0.653   0.787  -0.347
  543   HD13  LEU  74          HD13      LEU  74  -0.046  -0.804  -0.802
  544   HD21  LEU  74          HD21      LEU  74   2.260   0.220  -0.734
  545   HD22  LEU  74          HD22      LEU  74   1.559   1.795  -0.364
  546   HD23  LEU  74          HD23      LEU  74   2.612   1.601  -1.768
  547    H    LEU  75           HN       LEU  75   2.988  -1.951  -3.772
  548    HA   LEU  75           HA       LEU  75   4.965  -1.591  -1.897
  549    HB2  LEU  75           HB2      LEU  75   3.876  -3.666  -2.530
  550    HB3  LEU  75           HB1      LEU  75   4.657  -3.611  -4.090
  551    HG   LEU  75           HG       LEU  75   6.814  -3.756  -2.938
  552   HD11  LEU  75          HD11      LEU  75   5.081  -4.381  -0.544
  553   HD12  LEU  75          HD12      LEU  75   6.161  -2.992  -0.728
  554   HD13  LEU  75          HD13      LEU  75   6.824  -4.622  -0.623
  555   HD21  LEU  75          HD21      LEU  75   5.791  -5.620  -4.000
  556   HD22  LEU  75          HD22      LEU  75   4.845  -5.978  -2.557
  557   HD23  LEU  75          HD23      LEU  75   6.615  -6.179  -2.535
  558    H    ASP  76           HN       ASP  76   5.069  -1.575  -5.375
  559    HA   ASP  76           HA       ASP  76   7.860  -1.496  -5.768
  560    HB2  ASP  76           HB2      ASP  76   6.383  -2.184  -7.540
  561    HB3  ASP  76           HB1      ASP  76   5.556  -0.633  -7.508
  562    H    LEU  77           HN       LEU  77   5.420   1.000  -5.380
  563    HA   LEU  77           HA       LEU  77   7.038   3.226  -5.995
  564    HB2  LEU  77           HB2      LEU  77   4.589   2.932  -4.279
  565    HB3  LEU  77           HB1      LEU  77   5.308   4.468  -4.689
  566    HG   LEU  77           HG       LEU  77   4.163   2.503  -6.670
  567   HD11  LEU  77          HD11      LEU  77   2.323   4.119  -6.893
  568   HD12  LEU  77          HD12      LEU  77   3.017   5.090  -5.586
  569   HD13  LEU  77          HD13      LEU  77   2.424   3.458  -5.266
  570   HD21  LEU  77          HD21      LEU  77   5.939   3.895  -7.600
  571   HD22  LEU  77          HD22      LEU  77   5.120   5.346  -7.011
  572   HD23  LEU  77          HD23      LEU  77   4.368   4.356  -8.262
  573    H    ILE  78           HN       ILE  78   6.219   1.600  -2.979
  574    HA   ILE  78           HA       ILE  78   7.603   3.278  -1.191
  575    HB   ILE  78           HB       ILE  78   7.023   0.308  -0.955
  576   HG12  ILE  78          HG12      ILE  78   5.008   1.741  -1.188
  577   HG13  ILE  78          HG11      ILE  78   5.104   0.970   0.390
  578   HG21  ILE  78          HG21      ILE  78   7.884   2.289   1.163
  579   HG22  ILE  78          HG22      ILE  78   8.816   0.915   0.568
  580   HG23  ILE  78          HG23      ILE  78   7.335   0.647   1.483
  581   HD11  ILE  78          HD11      ILE  78   4.366   3.273   0.579
  582   HD12  ILE  78          HD12      ILE  78   5.835   3.823  -0.233
  583   HD13  ILE  78          HD13      ILE  78   5.938   3.062   1.354
  584    H    ASN  79           HN       ASN  79   8.536   0.068  -2.410
  585    HA   ASN  79           HA       ASN  79  11.125   0.159  -1.383
  586    HB2  ASN  79           HB2      ASN  79  10.023  -1.526  -3.627
  587    HB3  ASN  79           HB1      ASN  79  11.652  -1.715  -2.986
  588   HD21  ASN  79          HD21      ASN  79   9.723  -3.727  -2.997
  589   HD22  ASN  79          HD22      ASN  79   9.324  -4.131  -1.366
  590    H    GLY  80           HN       GLY  80   9.884   1.424  -4.363
  591    HA2  GLY  80           HA2      GLY  80  12.253   1.794  -5.792
  592    HA3  GLY  80           HA1      GLY  80  10.835   2.830  -5.890
  593    H    ALA  81           HN       ALA  81  10.648   4.061  -3.587
  594    HA   ALA  81           HA       ALA  81  12.858   5.906  -3.638
  595    HB1  ALA  81           HB1      ALA  81  11.595   7.162  -1.981
  596    HB2  ALA  81           HB2      ALA  81  10.492   5.805  -1.758
  597    HB3  ALA  81           HB3      ALA  81  10.531   6.664  -3.296
  598    H    LEU  82           HN       LEU  82  11.865   3.254  -1.642
  599    HA   LEU  82           HA       LEU  82  13.378   3.859   0.630
  600    HB2  LEU  82           HB2      LEU  82  11.447   2.462   0.704
  601    HB3  LEU  82           HB1      LEU  82  12.168   1.334  -0.422
  602    HG   LEU  82           HG       LEU  82  13.752   0.654   1.184
  603   HD11  LEU  82          HD11      LEU  82  13.564   1.472   3.573
  604   HD12  LEU  82          HD12      LEU  82  12.461   2.730   2.974
  605   HD13  LEU  82          HD13      LEU  82  14.128   2.694   2.434
  606   HD21  LEU  82          HD21      LEU  82  12.213  -0.410   2.788
  607   HD22  LEU  82          HD22      LEU  82  11.616  -0.477   1.130
  608   HD23  LEU  82          HD23      LEU  82  10.943   0.691   2.268
  609    H    ALA  83           HN       ALA  83  14.046   1.854  -2.229
  610    HA   ALA  83           HA       ALA  83  16.480   0.802  -1.230
  611    HB1  ALA  83           HB1      ALA  83  16.858  -0.013  -3.489
  612    HB2  ALA  83           HB2      ALA  83  15.562   1.026  -4.084
  613    HB3  ALA  83           HB3      ALA  83  15.190  -0.305  -2.996
  614    H    GLU  84           HN       GLU  84  15.733   3.906  -2.350
  615    HA   GLU  84           HA       GLU  84  18.315   4.560  -3.343
  616    HB2  GLU  84           HB2      GLU  84  15.938   6.178  -2.481
  617    HB3  GLU  84           HB1      GLU  84  17.406   6.866  -3.127
  618    HG2  GLU  84           HG2      GLU  84  17.026   5.568  -5.206
  619    HG3  GLU  84           HG1      GLU  84  15.468   5.065  -4.543
  620    H    ALA  85           HN       ALA  85  16.645   4.470  -0.324
  621    HA   ALA  85           HA       ALA  85  18.671   6.070   1.008
  622    HB1  ALA  85           HB1      ALA  85  16.338   6.458   1.593
  623    HB2  ALA  85           HB2      ALA  85  17.234   5.843   2.979
  624    HB3  ALA  85           HB3      ALA  85  16.164   4.770   2.079
  625    H    ALA  86           HN       ALA  86  17.289   2.817   1.009
  626    HA   ALA  86           HA       ALA  86  19.475   1.881   2.670
  627    HB1  ALA  86           HB1      ALA  86  16.896   0.546   1.824
  628    HB2  ALA  86           HB2      ALA  86  17.206   1.313   3.380
  629    HB3  ALA  86           HB3      ALA  86  18.106  -0.135   2.911
  630   H28A  SDO 101          H28A      SDO  42  -7.696  10.249  -1.973
  631   H28B  SDO 101          H28B      SDO  42  -7.461   9.333  -3.464
  632   H30A  SDO 101          H30A      SDO  42  -7.153  12.653  -1.958
  633   H30B  SDO 101          H30B      SDO  42  -8.139  12.854  -3.400
  634   H30C  SDO 101          H30C      SDO  42  -6.469  13.452  -3.383
  635   H31A  SDO 101          H31A      SDO  42  -5.095   9.955  -3.212
  636   H31B  SDO 101          H31B      SDO  42  -5.447  11.006  -1.840
  637   H31C  SDO 101          H31C      SDO  42  -4.610  11.649  -3.251
  638   H32A  SDO 101          H32A      SDO  42  -5.973  10.447  -5.445
  639   H33A  SDO 101          H33A      SDO  42  -4.999  12.663  -4.800
  640   H36A  SDO 101          H36A      SDO  42  -7.373  13.341  -6.241
  641   H37A  SDO 101          H37A      SDO  42  -9.054  12.760  -8.229
  642   H37B  SDO 101          H37B      SDO  42 -10.076  12.419  -6.833
  643   H38A  SDO 101          H38A      SDO  42  -8.757  15.076  -7.441
  644   H38B  SDO 101          H38B      SDO  42 -10.428  14.672  -7.758
  645   H41A  SDO 101          H41A      SDO  42 -10.043  13.081  -5.012
  646   H42A  SDO 101          H42A      SDO  42  -9.615  14.134  -2.794
  647   H42B  SDO 101          H42B      SDO  42 -10.844  15.311  -3.275
  648   H43A  SDO 101          H43A      SDO  42 -11.205  12.351  -3.091
  649   H43B  SDO 101          H43B      SDO  42 -12.498  13.513  -3.336
  650    H1A  SDO 101           H1A      SDO  42 -11.556  15.155   0.494
  651    H1B  SDO 101           H1B      SDO  42 -10.349  13.910   0.682
  652    H2A  SDO 101           H2A      SDO  42 -10.393  15.960  -1.495
  653    H2B  SDO 101           H2B      SDO  42  -9.162  14.751  -1.245
  654    H4A  SDO 101           H4A      SDO  42  -9.213  17.706   1.818
  655    H4B  SDO 101           H4B      SDO  42  -8.029  16.446   2.034
  656    H5A  SDO 101           H5A      SDO  42  -9.733  14.798   2.446
  657    H5B  SDO 101           H5B      SDO  42 -10.994  16.008   2.178
  658    H6A  SDO 101           H6A      SDO  42 -10.113  17.329   4.047
  659    H6B  SDO 101           H6B      SDO  42  -8.872  16.110   4.325
  660    H8A  SDO 101           H8A      SDO  42 -12.352  14.055   5.187
  661    H8B  SDO 101           H8B      SDO  42 -11.148  13.670   3.943
  662    H8C  SDO 101           H8C      SDO  42 -12.380  14.890   3.630
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  19.945  -5.931   5.038
    2    H2   MET   1           HT2      MET   1  20.729  -5.097   6.261
    3    H3   MET   1           HT3      MET   1  21.442  -6.512   5.632
    4    HA   MET   1           HA       MET   1  22.535  -4.541   4.773
    5    HB2  MET   1           HB2      MET   1  20.680  -5.796   2.726
    6    HB3  MET   1           HB1      MET   1  22.078  -4.809   2.332
    7    HG2  MET   1           HG2      MET   1  23.563  -6.451   3.233
    8    HG3  MET   1           HG1      MET   1  22.206  -7.407   3.837
    9    HE1  MET   1           HE1      MET   1  20.131  -7.183   1.466
   10    HE2  MET   1           HE2      MET   1  20.484  -8.708   2.284
   11    HE3  MET   1           HE3      MET   1  20.514  -8.624   0.525
   12    H    ALA   2           HN       ALA   2  19.109  -4.602   3.772
   13    HA   ALA   2           HA       ALA   2  19.099  -1.684   3.926
   14    HB1  ALA   2           HB1      ALA   2  17.784  -3.416   1.822
   15    HB2  ALA   2           HB2      ALA   2  19.214  -2.410   1.574
   16    HB3  ALA   2           HB3      ALA   2  17.667  -1.661   1.949
   17    H    THR   3           HN       THR   3  16.533  -1.147   3.647
   18    HA   THR   3           HA       THR   3  15.142  -2.909   5.513
   19    HB   THR   3           HB       THR   3  15.761  -0.875   6.716
   20    HG1  THR   3           HG1      THR   3  13.055  -1.094   6.014
   21   HG21  THR   3          HG21      THR   3  14.392   0.675   4.502
   22   HG22  THR   3          HG22      THR   3  16.123   0.664   4.866
   23   HG23  THR   3          HG23      THR   3  14.990   1.385   6.006
   24    H    LEU   4           HN       LEU   4  14.881  -3.632   3.125
   25    HA   LEU   4           HA       LEU   4  13.107  -2.110   1.488
   26    HB2  LEU   4           HB2      LEU   4  14.867  -3.573   0.591
   27    HB3  LEU   4           HB1      LEU   4  13.996  -4.982   1.186
   28    HG   LEU   4           HG       LEU   4  12.107  -4.230  -0.323
   29   HD11  LEU   4          HD11      LEU   4  14.286  -2.452  -1.430
   30   HD12  LEU   4          HD12      LEU   4  12.818  -1.920  -0.615
   31   HD13  LEU   4          HD13      LEU   4  12.714  -2.745  -2.170
   32   HD21  LEU   4          HD21      LEU   4  13.162  -5.191  -2.313
   33   HD22  LEU   4          HD22      LEU   4  13.577  -6.095  -0.859
   34   HD23  LEU   4          HD23      LEU   4  14.751  -4.987  -1.569
   35    H    LEU   5           HN       LEU   5  11.009  -2.238   1.347
   36    HA   LEU   5           HA       LEU   5   9.532  -3.803   3.260
   37    HB2  LEU   5           HB2      LEU   5   9.143  -1.354   2.615
   38    HB3  LEU   5           HB1      LEU   5   8.500  -1.947   1.110
   39    HG   LEU   5           HG       LEU   5   7.321  -2.454   3.852
   40   HD11  LEU   5          HD11      LEU   5   7.132  -0.157   3.291
   41   HD12  LEU   5          HD12      LEU   5   5.549  -0.929   3.039
   42   HD13  LEU   5          HD13      LEU   5   6.584  -0.560   1.663
   43   HD21  LEU   5          HD21      LEU   5   6.163  -3.015   1.118
   44   HD22  LEU   5          HD22      LEU   5   5.328  -3.214   2.659
   45   HD23  LEU   5          HD23      LEU   5   6.717  -4.230   2.275
   46    H    THR   6           HN       THR   6   8.931  -5.830   2.755
   47    HA   THR   6           HA       THR   6   8.493  -6.522  -0.017
   48    HB   THR   6           HB       THR   6   8.544  -8.908   1.094
   49    HG1  THR   6           HG1      THR   6   8.715  -8.564   3.260
   50   HG21  THR   6          HG21      THR   6  11.030  -7.193   0.848
   51   HG22  THR   6          HG22      THR   6  10.246  -8.061  -0.474
   52   HG23  THR   6          HG23      THR   6  11.008  -8.955   0.841
   53    H    THR   7           HN       THR   7   6.669  -8.165  -0.375
   54    HA   THR   7           HA       THR   7   4.242  -6.957   0.210
   55    HB   THR   7           HB       THR   7   4.651  -9.858  -0.581
   56    HG1  THR   7           HG1      THR   7   5.256  -9.125  -2.470
   57   HG21  THR   7          HG21      THR   7   2.406  -7.897  -1.127
   58   HG22  THR   7          HG22      THR   7   2.316  -9.270  -0.031
   59   HG23  THR   7          HG23      THR   7   2.508  -9.538  -1.766
   60    H    ASP   8           HN       ASP   8   5.836  -9.571   1.861
   61    HA   ASP   8           HA       ASP   8   3.864 -10.399   3.606
   62    HB2  ASP   8           HB2      ASP   8   5.786 -10.928   5.236
   63    HB3  ASP   8           HB1      ASP   8   5.776 -11.717   3.665
   64    H    ASP   9           HN       ASP   9   5.785  -7.454   3.913
   65    HA   ASP   9           HA       ASP   9   4.643  -6.910   6.533
   66    HB2  ASP   9           HB2      ASP   9   6.894  -6.061   5.990
   67    HB3  ASP   9           HB1      ASP   9   6.189  -5.052   4.742
   68    H    LEU  10           HN       LEU  10   4.167  -5.956   3.259
   69    HA   LEU  10           HA       LEU  10   2.265  -3.928   3.763
   70    HB2  LEU  10           HB2      LEU  10   3.257  -4.182   1.523
   71    HB3  LEU  10           HB1      LEU  10   2.383  -5.693   1.307
   72    HG   LEU  10           HG       LEU  10   0.248  -4.438   1.471
   73   HD11  LEU  10          HD11      LEU  10   1.991  -1.985   1.426
   74   HD12  LEU  10          HD12      LEU  10   0.985  -2.540   2.769
   75   HD13  LEU  10          HD13      LEU  10   0.232  -2.009   1.271
   76   HD21  LEU  10          HD21      LEU  10   1.153  -4.958  -0.706
   77   HD22  LEU  10          HD22      LEU  10   2.130  -3.490  -0.677
   78   HD23  LEU  10          HD23      LEU  10   0.368  -3.377  -0.743
   79    H    ARG  11           HN       ARG  11   1.964  -7.394   3.686
   80    HA   ARG  11           HA       ARG  11  -0.840  -7.553   3.627
   81    HB2  ARG  11           HB2      ARG  11   0.783  -9.511   3.426
   82    HB3  ARG  11           HB1      ARG  11   0.974  -9.420   5.168
   83    HG2  ARG  11           HG2      ARG  11  -1.388  -9.882   5.496
   84    HG3  ARG  11           HG1      ARG  11  -1.647  -9.947   3.756
   85    HD2  ARG  11           HD2      ARG  11   0.087 -11.803   5.397
   86    HD3  ARG  11           HD1      ARG  11  -1.500 -12.158   4.714
   87    HE   ARG  11           HE       ARG  11  -0.337 -11.783   2.483
   88   HH11  ARG  11          HH11      ARG  11   1.289 -13.074   5.327
   89   HH12  ARG  11          HH12      ARG  11   2.336 -14.114   4.492
   90   HH21  ARG  11          HH21      ARG  11   1.193 -13.264   1.199
   91   HH22  ARG  11          HH22      ARG  11   2.303 -14.146   2.112
   92    H    ARG  12           HN       ARG  12   1.352  -6.702   6.163
   93    HA   ARG  12           HA       ARG  12  -0.591  -6.771   8.329
   94    HB2  ARG  12           HB2      ARG  12   2.023  -5.271   8.187
   95    HB3  ARG  12           HB1      ARG  12   1.125  -5.710   9.631
   96    HG2  ARG  12           HG2      ARG  12   1.707  -8.010   9.364
   97    HG3  ARG  12           HG1      ARG  12   2.406  -7.684   7.770
   98    HD2  ARG  12           HD2      ARG  12   4.040  -6.186   8.806
   99    HD3  ARG  12           HD1      ARG  12   3.376  -6.564  10.392
  100    HE   ARG  12           HE       ARG  12   3.993  -8.974   9.580
  101   HH11  ARG  12          HH11      ARG  12   5.893  -6.060   8.863
  102   HH12  ARG  12          HH12      ARG  12   7.382  -6.773   9.234
  103   HH21  ARG  12          HH21      ARG  12   6.019  -9.973   9.998
  104   HH22  ARG  12          HH22      ARG  12   7.477  -9.085   9.852
  105    H    ALA  13           HN       ALA  13   1.142  -4.355   6.468
  106    HA   ALA  13           HA       ALA  13   0.098  -2.024   7.540
  107    HB1  ALA  13           HB1      ALA  13   0.922  -0.928   5.542
  108    HB2  ALA  13           HB2      ALA  13   1.062  -2.491   4.739
  109    HB3  ALA  13           HB3      ALA  13   2.078  -2.114   6.132
  110    H    LEU  14           HN       LEU  14  -1.031  -3.899   4.796
  111    HA   LEU  14           HA       LEU  14  -3.005  -2.080   3.979
  112    HB2  LEU  14           HB2      LEU  14  -1.942  -3.907   2.613
  113    HB3  LEU  14           HB1      LEU  14  -2.934  -5.059   3.483
  114    HG   LEU  14           HG       LEU  14  -4.955  -4.067   2.531
  115   HD11  LEU  14          HD11      LEU  14  -3.047  -2.213   1.088
  116   HD12  LEU  14          HD12      LEU  14  -4.161  -1.748   2.373
  117   HD13  LEU  14          HD13      LEU  14  -4.792  -2.320   0.829
  118   HD21  LEU  14          HD21      LEU  14  -4.556  -4.688   0.191
  119   HD22  LEU  14          HD22      LEU  14  -3.835  -5.848   1.308
  120   HD23  LEU  14          HD23      LEU  14  -2.818  -4.662   0.491
  121    H    VAL  15           HN       VAL  15  -2.909  -4.345   6.530
  122    HA   VAL  15           HA       VAL  15  -5.777  -4.204   6.991
  123    HB   VAL  15           HB       VAL  15  -3.537  -5.268   8.756
  124   HG11  VAL  15          HG11      VAL  15  -5.516  -4.625  10.054
  125   HG12  VAL  15          HG12      VAL  15  -5.360  -6.383  10.013
  126   HG13  VAL  15          HG13      VAL  15  -6.547  -5.584   8.995
  127   HG21  VAL  15          HG21      VAL  15  -4.329  -7.499   8.097
  128   HG22  VAL  15          HG22      VAL  15  -3.745  -6.568   6.720
  129   HG23  VAL  15          HG23      VAL  15  -5.482  -6.751   6.986
  130    H    GLU  16           HN       GLU  16  -2.793  -3.194   8.645
  131    HA   GLU  16           HA       GLU  16  -3.665  -1.657  10.702
  132    HB2  GLU  16           HB2      GLU  16  -1.288  -1.169   8.940
  133    HB3  GLU  16           HB1      GLU  16  -1.539  -0.425  10.503
  134    HG2  GLU  16           HG2      GLU  16  -1.547  -2.703  11.506
  135    HG3  GLU  16           HG1      GLU  16  -1.162  -3.334   9.913
  136    H    SER  17           HN       SER  17  -3.519  -0.587   7.317
  137    HA   SER  17           HA       SER  17  -3.841   2.121   8.020
  138    HB2  SER  17           HB2      SER  17  -4.331   2.375   5.539
  139    HB3  SER  17           HB1      SER  17  -2.735   1.803   6.023
  140    HG   SER  17           HG       SER  17  -4.890   0.117   5.169
  141    H    ALA  18           HN       ALA  18  -6.084  -0.390   7.920
  142    HA   ALA  18           HA       ALA  18  -8.253   1.527   7.553
  143    HB1  ALA  18           HB1      ALA  18  -8.219  -1.458   7.247
  144    HB2  ALA  18           HB2      ALA  18  -8.284  -0.274   5.935
  145    HB3  ALA  18           HB3      ALA  18  -9.637  -0.434   7.060
  146    H    GLY  19           HN       GLY  19 -10.069   1.247   8.964
  147    HA2  GLY  19           HA2      GLY  19  -9.211   0.229  11.594
  148    HA3  GLY  19           HA1      GLY  19 -10.319   1.576  11.369
  149    H    GLU  20           HN       GLU  20 -11.069  -0.705   9.108
  150    HA   GLU  20           HA       GLU  20 -12.990  -2.031  10.893
  151    HB2  GLU  20           HB2      GLU  20 -14.797  -1.646   9.285
  152    HB3  GLU  20           HB1      GLU  20 -14.135  -0.130   9.871
  153    HG2  GLU  20           HG2      GLU  20 -12.819   0.068   7.788
  154    HG3  GLU  20           HG1      GLU  20 -13.589  -1.403   7.195
  155    H    THR  21           HN       THR  21 -10.450  -2.844   9.322
  156    HA   THR  21           HA       THR  21 -11.689  -4.797   7.555
  157    HB   THR  21           HB       THR  21  -8.889  -3.618   7.454
  158    HG1  THR  21           HG1      THR  21 -11.287  -3.177   6.014
  159   HG21  THR  21          HG21      THR  21  -8.745  -4.643   5.223
  160   HG22  THR  21          HG22      THR  21 -10.369  -5.317   5.426
  161   HG23  THR  21          HG23      THR  21  -9.055  -5.891   6.440
  162    H    ASP  22           HN       ASP  22 -10.983  -4.862  10.556
  163    HA   ASP  22           HA       ASP  22  -9.215  -7.148  10.625
  164    HB2  ASP  22           HB2      ASP  22 -10.692  -5.719  12.750
  165    HB3  ASP  22           HB1      ASP  22  -9.789  -7.188  13.116
  166    H    GLY  23           HN       GLY  23 -10.272  -8.609   9.457
  167    HA2  GLY  23           HA2      GLY  23 -11.626 -10.618  10.333
  168    HA3  GLY  23           HA1      GLY  23 -12.926  -9.412  10.377
  169    H    THR  24           HN       THR  24 -10.381  -9.710   7.972
  170    HA   THR  24           HA       THR  24 -12.465 -10.144   5.964
  171    HB   THR  24           HB       THR  24 -10.701  -9.074   4.425
  172    HG1  THR  24           HG1      THR  24  -9.599  -7.876   6.707
  173   HG21  THR  24          HG21      THR  24 -11.852  -7.411   6.677
  174   HG22  THR  24          HG22      THR  24 -12.700  -7.865   5.192
  175   HG23  THR  24          HG23      THR  24 -11.303  -6.799   5.122
  176    H    ASP  25           HN       ASP  25 -10.667 -10.837   3.871
  177    HA   ASP  25           HA       ASP  25  -9.405 -13.276   4.880
  178    HB2  ASP  25           HB2      ASP  25 -10.154 -14.502   2.957
  179    HB3  ASP  25           HB1      ASP  25 -11.571 -13.744   3.667
  180    H    LEU  26           HN       LEU  26  -8.407 -10.697   4.514
  181    HA   LEU  26           HA       LEU  26  -6.907 -10.433   2.102
  182    HB2  LEU  26           HB2      LEU  26  -7.660  -8.559   3.542
  183    HB3  LEU  26           HB1      LEU  26  -6.550  -9.099   4.789
  184    HG   LEU  26           HG       LEU  26  -4.663  -8.632   3.247
  185   HD11  LEU  26          HD11      LEU  26  -5.891  -8.894   1.157
  186   HD12  LEU  26          HD12      LEU  26  -5.070  -7.334   1.232
  187   HD13  LEU  26          HD13      LEU  26  -6.816  -7.434   1.509
  188   HD21  LEU  26          HD21      LEU  26  -6.536  -6.325   3.771
  189   HD22  LEU  26          HD22      LEU  26  -4.807  -6.195   3.441
  190   HD23  LEU  26          HD23      LEU  26  -5.362  -6.990   4.907
  191    H    SER  27           HN       SER  27  -6.528 -12.173   4.997
  192    HA   SER  27           HA       SER  27  -3.705 -12.449   4.952
  193    HB2  SER  27           HB2      SER  27  -4.271 -14.480   6.469
  194    HB3  SER  27           HB1      SER  27  -4.664 -12.863   7.065
  195    HG   SER  27           HG       SER  27  -6.730 -13.172   6.655
  196    H    GLY  28           HN       GLY  28  -2.861 -13.143   3.159
  197    HA2  GLY  28           HA2      GLY  28  -2.505 -15.620   2.357
  198    HA3  GLY  28           HA1      GLY  28  -4.027 -15.201   1.554
  199    H    ASP  29           HN       ASP  29  -2.875 -15.263  -0.497
  200    HA   ASP  29           HA       ASP  29  -1.237 -12.907  -0.647
  201    HB2  ASP  29           HB2      ASP  29  -0.959 -15.395  -2.270
  202    HB3  ASP  29           HB1      ASP  29  -0.321 -13.857  -2.855
  203    H    PHE  30           HN       PHE  30  -2.266 -11.435  -0.910
  204    HA   PHE  30           HA       PHE  30  -4.575 -11.209  -2.599
  205    HB2  PHE  30           HB2      PHE  30  -4.643  -8.906  -1.607
  206    HB3  PHE  30           HB1      PHE  30  -4.655 -10.209  -0.429
  207    HD1  PHE  30           HD2      PHE  30  -2.609 -10.666   0.895
  208    HD2  PHE  30           HD1      PHE  30  -2.837  -7.291  -1.689
  209    HE1  PHE  30           HE2      PHE  30  -0.702  -9.635   2.064
  210    HE2  PHE  30           HE1      PHE  30  -0.962  -6.279  -0.532
  211    HZ   PHE  30           HZ       PHE  30   0.186  -7.460   1.259
  212    H    LEU  31           HN       LEU  31  -1.801 -11.533  -3.807
  213    HA   LEU  31           HA       LEU  31  -1.072  -9.056  -4.974
  214    HB2  LEU  31           HB2      LEU  31  -0.371 -11.912  -5.603
  215    HB3  LEU  31           HB1      LEU  31   0.181 -10.598  -6.606
  216    HG   LEU  31           HG       LEU  31   1.948 -11.238  -5.157
  217   HD11  LEU  31          HD11      LEU  31   1.821  -8.911  -5.618
  218   HD12  LEU  31          HD12      LEU  31   2.428  -9.159  -3.976
  219   HD13  LEU  31          HD13      LEU  31   0.765  -8.645  -4.233
  220   HD21  LEU  31          HD21      LEU  31   1.792 -11.095  -2.689
  221   HD22  LEU  31          HD22      LEU  31   0.754 -12.342  -3.367
  222   HD23  LEU  31          HD23      LEU  31   0.057 -10.805  -2.842
  223    H    ASP  32           HN       ASP  32  -3.353 -11.498  -5.754
  224    HA   ASP  32           HA       ASP  32  -3.834 -10.447  -8.461
  225    HB2  ASP  32           HB2      ASP  32  -5.026 -12.877  -7.090
  226    HB3  ASP  32           HB1      ASP  32  -5.285 -12.407  -8.761
  227    H    LEU  33           HN       LEU  33  -4.590  -9.357  -5.698
  228    HA   LEU  33           HA       LEU  33  -7.493  -9.108  -6.078
  229    HB2  LEU  33           HB2      LEU  33  -6.626 -10.297  -4.024
  230    HB3  LEU  33           HB1      LEU  33  -5.818  -8.822  -3.573
  231    HG   LEU  33           HG       LEU  33  -7.999  -7.725  -3.250
  232   HD11  LEU  33          HD11      LEU  33  -9.130 -10.444  -3.925
  233   HD12  LEU  33          HD12      LEU  33  -9.269  -8.997  -4.925
  234   HD13  LEU  33          HD13      LEU  33 -10.045  -9.050  -3.352
  235   HD21  LEU  33          HD21      LEU  33  -6.908  -8.889  -1.391
  236   HD22  LEU  33          HD22      LEU  33  -7.712 -10.384  -1.847
  237   HD23  LEU  33          HD23      LEU  33  -8.662  -9.016  -1.280
  238    H    ARG  34           HN       ARG  34  -8.305  -6.874  -5.694
  239    HA   ARG  34           HA       ARG  34  -6.196  -4.901  -6.268
  240    HB2  ARG  34           HB2      ARG  34  -9.157  -4.808  -6.837
  241    HB3  ARG  34           HB1      ARG  34  -8.034  -3.501  -7.134
  242    HG2  ARG  34           HG2      ARG  34  -6.916  -4.798  -8.816
  243    HG3  ARG  34           HG1      ARG  34  -7.940  -6.202  -8.451
  244    HD2  ARG  34           HD2      ARG  34  -9.912  -4.974  -9.106
  245    HD3  ARG  34           HD1      ARG  34  -8.950  -3.520  -9.369
  246    HE   ARG  34           HE       ARG  34  -8.386  -5.924 -10.895
  247   HH11  ARG  34          HH11      ARG  34  -9.837  -2.672 -10.870
  248   HH12  ARG  34          HH12      ARG  34  -9.530  -2.412 -12.534
  249   HH21  ARG  34          HH21      ARG  34  -8.157  -5.595 -13.136
  250   HH22  ARG  34          HH22      ARG  34  -8.489  -4.073 -13.846
  251    H    PHE  35           HN       PHE  35  -6.617  -2.765  -5.356
  252    HA   PHE  35           HA       PHE  35  -7.316  -2.819  -2.613
  253    HB2  PHE  35           HB2      PHE  35  -7.002  -0.443  -4.474
  254    HB3  PHE  35           HB1      PHE  35  -7.149  -0.335  -2.724
  255    HD1  PHE  35           HD2      PHE  35  -5.327  -1.090  -1.277
  256    HD2  PHE  35           HD1      PHE  35  -4.973  -1.139  -5.516
  257    HE1  PHE  35           HE2      PHE  35  -2.895  -1.340  -1.065
  258    HE2  PHE  35           HE1      PHE  35  -2.536  -1.394  -5.315
  259    HZ   PHE  35           HZ       PHE  35  -1.496  -1.498  -3.074
  260    H    GLU  36           HN       GLU  36  -9.001  -1.872  -5.489
  261    HA   GLU  36           HA       GLU  36 -11.282  -0.817  -4.233
  262    HB2  GLU  36           HB2      GLU  36 -12.326  -1.113  -6.522
  263    HB3  GLU  36           HB1      GLU  36 -10.884  -0.110  -6.427
  264    HG2  GLU  36           HG2      GLU  36  -9.564  -2.134  -7.162
  265    HG3  GLU  36           HG1      GLU  36 -11.110  -2.923  -7.451
  266    H    ASP  37           HN       ASP  37 -10.332  -4.091  -4.794
  267    HA   ASP  37           HA       ASP  37 -13.000  -5.170  -4.579
  268    HB2  ASP  37           HB2      ASP  37 -10.314  -6.546  -4.246
  269    HB3  ASP  37           HB1      ASP  37 -11.859  -7.365  -4.139
  270    H    ILE  38           HN       ILE  38 -10.326  -4.475  -2.459
  271    HA   ILE  38           HA       ILE  38 -11.649  -5.727  -0.202
  272    HB   ILE  38           HB       ILE  38  -9.625  -5.056   1.111
  273   HG12  ILE  38          HG12      ILE  38  -8.649  -4.141  -1.598
  274   HG13  ILE  38          HG11      ILE  38  -8.936  -3.123  -0.198
  275   HG21  ILE  38          HG21      ILE  38  -9.842  -7.255   0.104
  276   HG22  ILE  38          HG22      ILE  38  -8.174  -6.677   0.124
  277   HG23  ILE  38          HG23      ILE  38  -9.098  -6.648  -1.387
  278   HD11  ILE  38          HD11      ILE  38  -6.838  -5.265  -0.416
  279   HD12  ILE  38          HD12      ILE  38  -7.102  -4.209   0.977
  280   HD13  ILE  38          HD13      ILE  38  -6.574  -3.529  -0.557
  281    H    GLY  39           HN       GLY  39 -12.500  -3.147  -1.540
  282    HA2  GLY  39           HA2      GLY  39 -13.799  -1.431  -0.783
  283    HA3  GLY  39           HA1      GLY  39 -13.506  -1.979   0.858
  284    H    TYR  40           HN       TYR  40 -10.660  -1.421  -0.924
  285    HA   TYR  40           HA       TYR  40 -10.127   0.802   0.753
  286    HB2  TYR  40           HB2      TYR  40  -8.474  -0.872  -0.987
  287    HB3  TYR  40           HB1      TYR  40  -7.961   0.827  -0.876
  288    HD1  TYR  40           HD2      TYR  40  -8.858  -2.118   1.219
  289    HD2  TYR  40           HD1      TYR  40  -6.817   1.588   0.951
  290    HE1  TYR  40           HE2      TYR  40  -7.915  -2.506   3.429
  291    HE2  TYR  40           HE1      TYR  40  -5.870   1.245   3.178
  292    HH   TYR  40           HH       TYR  40  -6.063  -1.723   4.801
  293    H    ASP  41           HN       ASP  41 -10.412   2.669   0.512
  294    HA   ASP  41           HA       ASP  41 -11.361   3.704  -2.047
  295    HB2  ASP  41           HB2      ASP  41 -12.841   3.581   0.055
  296    HB3  ASP  41           HB1      ASP  41 -11.786   4.836   0.707
  297    H    SER  42           HN       SER  42 -11.030   6.336  -1.682
  298    HA   SER  42           HA       SER  42  -8.398   6.784  -2.440
  299    HB2  SER  42           HB2      SER  42  -9.047   9.175  -2.209
  300    HB3  SER  42           HB1      SER  42 -10.224   8.210  -3.113
  301    H    LEU  43           HN       LEU  43  -9.990   7.969   0.455
  302    HA   LEU  43           HA       LEU  43  -7.830   9.053   1.805
  303    HB2  LEU  43           HB2      LEU  43 -10.271   7.744   2.993
  304    HB3  LEU  43           HB1      LEU  43  -9.123   8.715   3.895
  305    HG   LEU  43           HG       LEU  43 -10.823   9.726   1.607
  306   HD11  LEU  43          HD11      LEU  43 -12.094  10.891   3.341
  307   HD12  LEU  43          HD12      LEU  43 -11.100  10.131   4.585
  308   HD13  LEU  43          HD13      LEU  43 -12.159   9.146   3.576
  309   HD21  LEU  43          HD21      LEU  43 -10.079  11.938   2.348
  310   HD22  LEU  43          HD22      LEU  43  -8.710  10.933   1.864
  311   HD23  LEU  43          HD23      LEU  43  -9.063  11.187   3.579
  312    H    ALA  44           HN       ALA  44  -9.090   5.800   2.055
  313    HA   ALA  44           HA       ALA  44  -7.484   4.869   4.099
  314    HB1  ALA  44           HB1      ALA  44  -9.541   3.779   3.371
  315    HB2  ALA  44           HB2      ALA  44  -8.183   2.648   3.417
  316    HB3  ALA  44           HB3      ALA  44  -8.743   3.293   1.873
  317    H    LEU  45           HN       LEU  45  -6.890   4.833   0.578
  318    HA   LEU  45           HA       LEU  45  -4.539   3.207   0.811
  319    HB2  LEU  45           HB2      LEU  45  -5.897   3.303  -1.197
  320    HB3  LEU  45           HB1      LEU  45  -5.431   4.967  -1.445
  321    HG   LEU  45           HG       LEU  45  -3.360   4.374  -2.368
  322   HD11  LEU  45          HD11      LEU  45  -2.539   3.168  -0.340
  323   HD12  LEU  45          HD12      LEU  45  -2.149   2.336  -1.841
  324   HD13  LEU  45          HD13      LEU  45  -3.484   1.753  -0.821
  325   HD21  LEU  45          HD21      LEU  45  -4.953   1.962  -2.469
  326   HD22  LEU  45          HD22      LEU  45  -3.642   2.340  -3.606
  327   HD23  LEU  45          HD23      LEU  45  -5.163   3.308  -3.610
  328    H    MET  46           HN       MET  46  -5.159   6.619   0.984
  329    HA   MET  46           HA       MET  46  -2.453   7.540   0.661
  330    HB2  MET  46           HB2      MET  46  -4.472   8.923   2.456
  331    HB3  MET  46           HB1      MET  46  -3.206   9.652   1.478
  332    HG2  MET  46           HG2      MET  46  -4.471   8.850  -0.502
  333    HG3  MET  46           HG1      MET  46  -5.696   8.383   0.670
  334    HE1  MET  46           HE1      MET  46  -7.108  11.637  -1.127
  335    HE2  MET  46           HE2      MET  46  -7.347   9.909  -0.882
  336    HE3  MET  46           HE3      MET  46  -5.993  10.479  -1.851
  337    H    GLU  47           HN       GLU  47  -4.527   6.628   3.225
  338    HA   GLU  47           HA       GLU  47  -2.873   7.015   5.412
  339    HB2  GLU  47           HB2      GLU  47  -5.290   5.688   4.629
  340    HB3  GLU  47           HB1      GLU  47  -4.778   5.262   6.293
  341    HG2  GLU  47           HG2      GLU  47  -4.756   7.863   6.519
  342    HG3  GLU  47           HG1      GLU  47  -5.630   7.838   4.992
  343    H    THR  48           HN       THR  48  -3.483   4.128   3.378
  344    HA   THR  48           HA       THR  48  -1.855   2.242   4.569
  345    HB   THR  48           HB       THR  48  -2.264   2.817   1.624
  346    HG1  THR  48           HG1      THR  48  -3.742   1.281   3.493
  347   HG21  THR  48          HG21      THR  48  -1.884   0.448   1.254
  348   HG22  THR  48          HG22      THR  48  -1.561   0.197   2.974
  349   HG23  THR  48          HG23      THR  48  -0.460   1.184   1.995
  350    H    ALA  49           HN       ALA  49  -1.074   4.566   2.042
  351    HA   ALA  49           HA       ALA  49   1.611   3.958   1.746
  352    HB1  ALA  49           HB1      ALA  49   1.837   6.091   0.594
  353    HB2  ALA  49           HB2      ALA  49   0.288   6.622   1.248
  354    HB3  ALA  49           HB3      ALA  49   0.352   5.271   0.110
  355    H    ALA  50           HN       ALA  50   0.041   6.445   3.758
  356    HA   ALA  50           HA       ALA  50   2.263   7.747   4.764
  357    HB1  ALA  50           HB1      ALA  50  -0.054   8.533   5.041
  358    HB2  ALA  50           HB2      ALA  50   0.842   8.533   6.557
  359    HB3  ALA  50           HB3      ALA  50  -0.331   7.259   6.233
  360    H    ARG  51           HN       ARG  51   0.689   4.849   6.014
  361    HA   ARG  51           HA       ARG  51   2.189   4.526   8.386
  362    HB2  ARG  51           HB2      ARG  51   0.067   3.316   7.918
  363    HB3  ARG  51           HB1      ARG  51   0.831   2.454   6.611
  364    HG2  ARG  51           HG2      ARG  51   1.656   2.103   9.513
  365    HG3  ARG  51           HG1      ARG  51   0.388   1.145   8.750
  366    HD2  ARG  51           HD2      ARG  51   2.119   0.469   7.027
  367    HD3  ARG  51           HD1      ARG  51   3.323   1.235   8.055
  368    HE   ARG  51           HE       ARG  51   1.903  -0.617   9.615
  369   HH11  ARG  51          HH11      ARG  51   4.204  -0.568   6.942
  370   HH12  ARG  51          HH12      ARG  51   4.717  -2.184   7.089
  371   HH21  ARG  51          HH21      ARG  51   2.591  -2.858   9.874
  372   HH22  ARG  51          HH22      ARG  51   3.824  -3.520   8.863
  373    H    LEU  52           HN       LEU  52   2.828   3.735   5.079
  374    HA   LEU  52           HA       LEU  52   5.134   2.130   5.705
  375    HB2  LEU  52           HB2      LEU  52   4.234   3.179   3.029
  376    HB3  LEU  52           HB1      LEU  52   5.402   1.911   3.320
  377    HG   LEU  52           HG       LEU  52   2.442   1.769   3.885
  378   HD11  LEU  52          HD11      LEU  52   2.948   1.601   1.551
  379   HD12  LEU  52          HD12      LEU  52   2.431   0.042   2.190
  380   HD13  LEU  52          HD13      LEU  52   4.138   0.338   1.877
  381   HD21  LEU  52          HD21      LEU  52   2.908  -0.613   4.434
  382   HD22  LEU  52          HD22      LEU  52   3.539   0.546   5.590
  383   HD23  LEU  52          HD23      LEU  52   4.636  -0.229   4.462
  384    H    GLU  53           HN       GLU  53   4.458   5.343   4.402
  385    HA   GLU  53           HA       GLU  53   7.033   6.195   3.757
  386    HB2  GLU  53           HB2      GLU  53   4.790   7.853   4.922
  387    HB3  GLU  53           HB1      GLU  53   6.217   8.480   4.124
  388    HG2  GLU  53           HG2      GLU  53   5.502   7.543   2.031
  389    HG3  GLU  53           HG1      GLU  53   4.111   6.777   2.820
  390    H    SER  54           HN       SER  54   5.263   6.700   6.806
  391    HA   SER  54           HA       SER  54   7.372   8.073   8.063
  392    HB2  SER  54           HB2      SER  54   5.040   6.685   9.376
  393    HB3  SER  54           HB1      SER  54   5.962   8.059   9.987
  394    HG   SER  54           HG       SER  54   3.864   8.029   8.351
  395    H    ARG  55           HN       ARG  55   6.657   4.671   7.819
  396    HA   ARG  55           HA       ARG  55   8.416   4.059  10.038
  397    HB2  ARG  55           HB2      ARG  55   6.393   2.711   9.785
  398    HB3  ARG  55           HB1      ARG  55   6.939   2.166   8.201
  399    HG2  ARG  55           HG2      ARG  55   8.850   1.062   9.229
  400    HG3  ARG  55           HG1      ARG  55   8.330   1.625  10.815
  401    HD2  ARG  55           HD2      ARG  55   6.325   0.316  10.685
  402    HD3  ARG  55           HD1      ARG  55   6.698  -0.161   9.024
  403    HE   ARG  55           HE       ARG  55   8.572  -0.819  11.158
  404   HH11  ARG  55          HH11      ARG  55   6.097  -1.924   8.921
  405   HH12  ARG  55          HH12      ARG  55   6.567  -3.543   8.836
  406   HH21  ARG  55          HH21      ARG  55   9.287  -3.089  11.140
  407   HH22  ARG  55          HH22      ARG  55   8.503  -4.249  10.171
  408    H    TYR  56           HN       TYR  56   8.511   3.865   6.517
  409    HA   TYR  56           HA       TYR  56  11.110   2.589   6.716
  410    HB2  TYR  56           HB2      TYR  56   9.242   2.926   4.388
  411    HB3  TYR  56           HB1      TYR  56  10.884   2.306   4.212
  412    HD1  TYR  56           HD2      TYR  56   7.621   1.685   5.806
  413    HD2  TYR  56           HD1      TYR  56  11.406   0.045   4.799
  414    HE1  TYR  56           HE2      TYR  56   6.794  -0.562   6.379
  415    HE2  TYR  56           HE1      TYR  56  10.594  -2.206   5.361
  416    HH   TYR  56           HH       TYR  56   8.916  -3.292   6.589
  417    H    GLY  57           HN       GLY  57   9.756   5.669   5.869
  418    HA2  GLY  57           HA2      GLY  57  11.057   7.608   5.903
  419    HA3  GLY  57           HA1      GLY  57  12.487   6.645   5.553
  420    H    VAL  58           HN       VAL  58   9.331   6.958   3.962
  421    HA   VAL  58           HA       VAL  58  10.719   7.870   1.563
  422    HB   VAL  58           HB       VAL  58   9.317   6.504   0.081
  423   HG11  VAL  58          HG11      VAL  58  10.202   4.280   0.526
  424   HG12  VAL  58          HG12      VAL  58  10.613   4.790   2.165
  425   HG13  VAL  58          HG13      VAL  58  11.427   5.535   0.782
  426   HG21  VAL  58          HG21      VAL  58   7.305   6.311   1.449
  427   HG22  VAL  58          HG22      VAL  58   8.164   5.252   2.579
  428   HG23  VAL  58          HG23      VAL  58   7.862   4.726   0.916
  429    H    SER  59           HN       SER  59   8.624   8.369  -0.102
  430    HA   SER  59           HA       SER  59   6.510   9.650   1.339
  431    HB2  SER  59           HB2      SER  59   8.419  11.255  -0.401
  432    HB3  SER  59           HB1      SER  59   6.922  11.865   0.301
  433    HG   SER  59           HG       SER  59   8.281  10.786   2.233
  434    H    ILE  60           HN       ILE  60   4.727   9.445   0.186
  435    HA   ILE  60           HA       ILE  60   4.902   9.186  -2.723
  436    HB   ILE  60           HB       ILE  60   3.198   7.377  -0.958
  437   HG12  ILE  60          HG12      ILE  60   5.473   6.663  -2.837
  438   HG13  ILE  60          HG11      ILE  60   5.594   6.686  -1.084
  439   HG21  ILE  60          HG21      ILE  60   2.028   8.044  -2.999
  440   HG22  ILE  60          HG22      ILE  60   2.453   6.326  -3.048
  441   HG23  ILE  60          HG23      ILE  60   3.395   7.493  -3.978
  442   HD11  ILE  60          HD11      ILE  60   3.831   4.884  -2.724
  443   HD12  ILE  60          HD12      ILE  60   3.918   4.905  -0.963
  444   HD13  ILE  60          HD13      ILE  60   5.331   4.422  -1.913
  445    HA   PRO  61           HA       PRO  61   1.779  12.381  -2.096
  446    HB2  PRO  61           HB2      PRO  61   1.730  12.194  -5.059
  447    HB3  PRO  61           HB1      PRO  61   1.964  13.615  -4.026
  448    HG2  PRO  61           HG2      PRO  61   4.000  12.550  -5.390
  449    HG3  PRO  61           HG1      PRO  61   4.220  13.213  -3.756
  450    HD2  PRO  61           HD2      PRO  61   3.985  10.364  -4.641
  451    HD3  PRO  61           HD1      PRO  61   5.059  11.076  -3.413
  452    H    ASP  62           HN       ASP  62  -0.425  12.268  -2.179
  453    HA   ASP  62           HA       ASP  62  -1.635   9.744  -2.468
  454    HB2  ASP  62           HB2      ASP  62  -3.818  10.984  -2.172
  455    HB3  ASP  62           HB1      ASP  62  -2.634  11.214  -0.899
  456    H    ASP  63           HN       ASP  63  -1.259  12.355  -4.705
  457    HA   ASP  63           HA       ASP  63  -3.096  11.615  -6.683
  458    HB2  ASP  63           HB2      ASP  63  -1.849  13.720  -6.820
  459    HB3  ASP  63           HB1      ASP  63  -0.344  12.822  -6.992
  460    H    VAL  64           HN       VAL  64   0.026  10.357  -5.867
  461    HA   VAL  64           HA       VAL  64   0.249   8.670  -8.206
  462    HB   VAL  64           HB       VAL  64   1.916   8.699  -5.677
  463   HG11  VAL  64          HG11      VAL  64   2.215   6.659  -6.941
  464   HG12  VAL  64          HG12      VAL  64   3.656   7.665  -7.068
  465   HG13  VAL  64          HG13      VAL  64   2.520   7.582  -8.411
  466   HG21  VAL  64          HG21      VAL  64   1.960  10.888  -6.703
  467   HG22  VAL  64          HG22      VAL  64   2.351  10.169  -8.270
  468   HG23  VAL  64          HG23      VAL  64   3.511  10.079  -6.944
  469    H    ALA  65           HN       ALA  65  -0.363   8.319  -4.731
  470    HA   ALA  65           HA       ALA  65  -0.413   5.565  -4.503
  471    HB1  ALA  65           HB1      ALA  65  -2.025   7.597  -2.986
  472    HB2  ALA  65           HB2      ALA  65  -0.381   7.088  -2.610
  473    HB3  ALA  65           HB3      ALA  65  -1.728   5.933  -2.496
  474    H    GLY  66           HN       GLY  66  -3.024   7.785  -5.418
  475    HA2  GLY  66           HA2      GLY  66  -4.974   5.668  -5.478
  476    HA3  GLY  66           HA1      GLY  66  -5.224   7.333  -5.978
  477    H    ARG  67           HN       ARG  67  -2.522   5.716  -7.383
  478    HA   ARG  67           HA       ARG  67  -4.068   5.379  -9.833
  479    HB2  ARG  67           HB2      ARG  67  -1.165   5.994  -9.422
  480    HB3  ARG  67           HB1      ARG  67  -1.864   5.562 -10.972
  481    HG2  ARG  67           HG2      ARG  67  -3.357   7.525 -10.797
  482    HG3  ARG  67           HG1      ARG  67  -2.556   7.967  -9.293
  483    HD2  ARG  67           HD2      ARG  67  -1.635   9.222 -11.156
  484    HD3  ARG  67           HD1      ARG  67  -0.427   8.140 -10.464
  485    HE   ARG  67           HE       ARG  67  -1.706   6.782 -12.521
  486   HH11  ARG  67          HH11      ARG  67   0.467   9.582 -12.159
  487   HH12  ARG  67          HH12      ARG  67   1.147   9.389 -13.716
  488   HH21  ARG  67          HH21      ARG  67  -0.684   6.507 -14.613
  489   HH22  ARG  67          HH22      ARG  67   0.498   7.629 -15.122
  490    H    VAL  68           HN       VAL  68  -2.545   3.588  -7.393
  491    HA   VAL  68           HA       VAL  68  -1.634   1.602  -9.240
  492    HB   VAL  68           HB       VAL  68  -1.013   0.197  -7.275
  493   HG11  VAL  68          HG11      VAL  68   0.101   3.001  -7.343
  494   HG12  VAL  68          HG12      VAL  68   0.608   1.652  -8.352
  495   HG13  VAL  68          HG13      VAL  68   0.895   1.608  -6.615
  496   HG21  VAL  68          HG21      VAL  68  -1.858   2.633  -5.702
  497   HG22  VAL  68          HG22      VAL  68  -0.879   1.315  -5.070
  498   HG23  VAL  68          HG23      VAL  68  -2.544   1.003  -5.581
  499    H    ASP  69           HN       ASP  69  -2.314  -0.523  -9.377
  500    HA   ASP  69           HA       ASP  69  -5.274  -0.698  -9.234
  501    HB2  ASP  69           HB2      ASP  69  -4.014  -0.893 -11.475
  502    HB3  ASP  69           HB1      ASP  69  -3.277  -2.322 -10.808
  503    H    THR  70           HN       THR  70  -2.322  -2.441  -8.931
  504    HA   THR  70           HA       THR  70  -3.572  -4.428  -7.179
  505    HB   THR  70           HB       THR  70  -1.814  -5.976  -8.055
  506    HG1  THR  70           HG1      THR  70  -1.197  -3.641  -9.508
  507   HG21  THR  70          HG21      THR  70  -3.587  -4.711 -10.138
  508   HG22  THR  70          HG22      THR  70  -4.094  -5.936  -8.975
  509   HG23  THR  70          HG23      THR  70  -2.906  -6.342 -10.228
  510    HA   PRO  71           HA       PRO  71  -0.930  -3.243  -3.871
  511    HB2  PRO  71           HB2      PRO  71  -0.312  -6.148  -3.575
  512    HB3  PRO  71           HB1      PRO  71  -0.919  -5.001  -2.368
  513    HG2  PRO  71           HG2      PRO  71  -2.537  -6.780  -3.476
  514    HG3  PRO  71           HG1      PRO  71  -3.097  -5.114  -3.205
  515    HD2  PRO  71           HD2      PRO  71  -2.204  -6.460  -5.704
  516    HD3  PRO  71           HD1      PRO  71  -3.535  -5.312  -5.464
  517    H    ARG  72           HN       ARG  72   0.373  -5.530  -6.187
  518    HA   ARG  72           HA       ARG  72   3.072  -5.514  -5.366
  519    HB2  ARG  72           HB2      ARG  72   3.617  -6.446  -7.549
  520    HB3  ARG  72           HB1      ARG  72   2.194  -7.228  -6.880
  521    HG2  ARG  72           HG2      ARG  72   0.764  -5.988  -8.361
  522    HG3  ARG  72           HG1      ARG  72   2.139  -5.058  -8.965
  523    HD2  ARG  72           HD2      ARG  72   1.669  -6.751 -10.561
  524    HD3  ARG  72           HD1      ARG  72   3.152  -7.202  -9.732
  525    HE   ARG  72           HE       ARG  72   0.508  -8.398  -9.231
  526   HH11  ARG  72          HH11      ARG  72   4.056  -8.712  -8.960
  527   HH12  ARG  72          HH12      ARG  72   4.052 -10.388  -9.085
  528   HH21  ARG  72          HH21      ARG  72   0.525 -10.786  -9.322
  529   HH22  ARG  72          HH22      ARG  72   2.030 -11.581  -9.271
  530    H    GLU  73           HN       GLU  73   1.267  -3.226  -7.221
  531    HA   GLU  73           HA       GLU  73   3.544  -1.862  -8.323
  532    HB2  GLU  73           HB2      GLU  73   0.665  -1.013  -8.067
  533    HB3  GLU  73           HB1      GLU  73   1.880  -0.279  -9.111
  534    HG2  GLU  73           HG2      GLU  73   2.038  -2.234 -10.433
  535    HG3  GLU  73           HG1      GLU  73   1.049  -3.148  -9.300
  536    H    LEU  74           HN       LEU  74   1.539  -1.694  -5.504
  537    HA   LEU  74           HA       LEU  74   2.318   0.894  -4.652
  538    HB2  LEU  74           HB2      LEU  74   0.274  -0.445  -3.881
  539    HB3  LEU  74           HB1      LEU  74   1.353  -1.413  -2.912
  540    HG   LEU  74           HG       LEU  74   0.115   0.289  -1.552
  541   HD11  LEU  74          HD11      LEU  74   2.186  -0.517  -0.742
  542   HD12  LEU  74          HD12      LEU  74   1.948   1.187  -0.322
  543   HD13  LEU  74          HD13      LEU  74   3.045   0.737  -1.639
  544   HD21  LEU  74          HD21      LEU  74   0.667   2.637  -1.766
  545   HD22  LEU  74          HD22      LEU  74  -0.066   2.034  -3.246
  546   HD23  LEU  74          HD23      LEU  74   1.675   2.292  -3.171
  547    H    LEU  75           HN       LEU  75   3.461  -2.416  -4.135
  548    HA   LEU  75           HA       LEU  75   5.622  -2.064  -2.381
  549    HB2  LEU  75           HB2      LEU  75   5.133  -3.931  -4.653
  550    HB3  LEU  75           HB1      LEU  75   6.730  -3.854  -3.969
  551    HG   LEU  75           HG       LEU  75   5.592  -5.660  -3.183
  552   HD11  LEU  75          HD11      LEU  75   5.702  -5.266  -0.695
  553   HD12  LEU  75          HD12      LEU  75   5.787  -3.547  -1.023
  554   HD13  LEU  75          HD13      LEU  75   7.080  -4.614  -1.583
  555   HD21  LEU  75          HD21      LEU  75   3.572  -5.546  -1.743
  556   HD22  LEU  75          HD22      LEU  75   3.300  -5.074  -3.420
  557   HD23  LEU  75          HD23      LEU  75   3.431  -3.841  -2.167
  558    H    ASP  76           HN       ASP  76   5.474  -1.828  -5.812
  559    HA   ASP  76           HA       ASP  76   8.192  -1.275  -6.360
  560    HB2  ASP  76           HB2      ASP  76   6.728  -1.958  -8.172
  561    HB3  ASP  76           HB1      ASP  76   5.762  -0.500  -7.978
  562    H    LEU  77           HN       LEU  77   5.470   0.880  -5.905
  563    HA   LEU  77           HA       LEU  77   6.677   3.347  -6.224
  564    HB2  LEU  77           HB2      LEU  77   4.594   2.462  -4.264
  565    HB3  LEU  77           HB1      LEU  77   5.038   4.130  -4.475
  566    HG   LEU  77           HG       LEU  77   3.717   2.305  -6.474
  567   HD11  LEU  77          HD11      LEU  77   1.853   3.884  -6.277
  568   HD12  LEU  77          HD12      LEU  77   2.766   4.785  -5.051
  569   HD13  LEU  77          HD13      LEU  77   2.251   3.136  -4.729
  570   HD21  LEU  77          HD21      LEU  77   4.560   5.186  -6.824
  571   HD22  LEU  77          HD22      LEU  77   3.630   4.236  -7.981
  572   HD23  LEU  77          HD23      LEU  77   5.304   3.794  -7.614
  573    H    ILE  78           HN       ILE  78   6.432   1.397  -3.298
  574    HA   ILE  78           HA       ILE  78   7.966   3.044  -1.591
  575    HB   ILE  78           HB       ILE  78   7.516   0.049  -1.499
  576   HG12  ILE  78          HG12      ILE  78   5.437   1.355  -1.375
  577   HG13  ILE  78          HG11      ILE  78   5.771   0.528   0.138
  578   HG21  ILE  78          HG21      ILE  78   8.561   1.886   0.663
  579   HG22  ILE  78          HG22      ILE  78   9.468   0.633  -0.179
  580   HG23  ILE  78          HG23      ILE  78   8.128   0.187   0.885
  581   HD11  ILE  78          HD11      ILE  78   6.232   3.450  -0.432
  582   HD12  ILE  78          HD12      ILE  78   6.601   2.641   1.083
  583   HD13  ILE  78          HD13      ILE  78   4.925   2.763   0.536
  584    H    ASN  79           HN       ASN  79   8.799   0.049  -3.295
  585    HA   ASN  79           HA       ASN  79  11.461  -0.215  -2.575
  586    HB2  ASN  79           HB2      ASN  79   9.946  -1.124  -4.996
  587    HB3  ASN  79           HB1      ASN  79  11.681  -1.383  -4.904
  588   HD21  ASN  79          HD21      ASN  79   9.774  -1.542  -1.976
  589   HD22  ASN  79          HD22      ASN  79   9.791  -3.257  -1.824
  590    H    GLY  80           HN       GLY  80  10.153   1.514  -5.383
  591    HA2  GLY  80           HA2      GLY  80  12.572   2.277  -6.520
  592    HA3  GLY  80           HA1      GLY  80  11.044   3.118  -6.696
  593    H    ALA  81           HN       ALA  81  10.463   4.112  -4.320
  594    HA   ALA  81           HA       ALA  81  12.162   6.364  -4.092
  595    HB1  ALA  81           HB1      ALA  81  10.714   7.050  -2.256
  596    HB2  ALA  81           HB2      ALA  81  10.003   5.436  -2.196
  597    HB3  ALA  81           HB3      ALA  81   9.755   6.454  -3.611
  598    H    LEU  82           HN       LEU  82  11.902   3.383  -2.259
  599    HA   LEU  82           HA       LEU  82  13.498   4.217  -0.096
  600    HB2  LEU  82           HB2      LEU  82  11.792   2.484   0.024
  601    HB3  LEU  82           HB1      LEU  82  12.702   1.508  -1.107
  602    HG   LEU  82           HG       LEU  82  14.471   1.295   0.485
  603   HD11  LEU  82          HD11      LEU  82  14.183   3.380   1.754
  604   HD12  LEU  82          HD12      LEU  82  14.119   2.002   2.857
  605   HD13  LEU  82          HD13      LEU  82  12.629   2.805   2.366
  606   HD21  LEU  82          HD21      LEU  82  12.718  -0.367   0.379
  607   HD22  LEU  82          HD22      LEU  82  11.761   0.546   1.544
  608   HD23  LEU  82          HD23      LEU  82  13.285  -0.187   2.039
  609    H    ALA  83           HN       ALA  83  14.129   2.669  -3.195
  610    HA   ALA  83           HA       ALA  83  16.814   1.977  -2.622
  611    HB1  ALA  83           HB1      ALA  83  15.536   0.917  -4.438
  612    HB2  ALA  83           HB2      ALA  83  17.035   1.619  -5.033
  613    HB3  ALA  83           HB3      ALA  83  15.501   2.449  -5.309
  614    H    GLU  84           HN       GLU  84  15.193   4.892  -3.578
  615    HA   GLU  84           HA       GLU  84  17.495   6.294  -4.471
  616    HB2  GLU  84           HB2      GLU  84  14.727   7.175  -3.644
  617    HB3  GLU  84           HB1      GLU  84  15.946   8.213  -4.349
  618    HG2  GLU  84           HG2      GLU  84  14.747   5.810  -5.709
  619    HG3  GLU  84           HG1      GLU  84  14.200   7.464  -5.941
  620    H    ALA  85           HN       ALA  85  15.738   5.784  -1.505
  621    HA   ALA  85           HA       ALA  85  17.052   7.900  -0.052
  622    HB1  ALA  85           HB1      ALA  85  15.749   7.153   1.843
  623    HB2  ALA  85           HB2      ALA  85  15.271   5.700   0.979
  624    HB3  ALA  85           HB3      ALA  85  14.718   7.270   0.412
  625    H    ALA  86           HN       ALA  86  17.535   4.502  -0.546
  626    HA   ALA  86           HA       ALA  86  19.788   4.617   1.317
  627    HB1  ALA  86           HB1      ALA  86  18.066   2.214   0.684
  628    HB2  ALA  86           HB2      ALA  86  18.019   3.139   2.183
  629    HB3  ALA  86           HB3      ALA  86  19.472   2.231   1.754
  630   H28A  SDO 101          H28A      SDO  42 -11.063  11.800  -0.110
  631   H28B  SDO 101          H28B      SDO  42  -9.620  10.978  -0.709
  632   H30A  SDO 101          H30A      SDO  42  -8.311  12.941   0.030
  633   H30B  SDO 101          H30B      SDO  42  -9.801  13.734   0.541
  634   H30C  SDO 101          H30C      SDO  42  -8.713  14.549  -0.575
  635   H31A  SDO 101          H31A      SDO  42  -8.057  12.132  -2.229
  636   H31B  SDO 101          H31B      SDO  42  -8.489  13.687  -2.943
  637   H31C  SDO 101          H31C      SDO  42  -9.373  12.223  -3.407
  638   H32A  SDO 101          H32A      SDO  42 -11.600  13.400  -2.680
  639   H33A  SDO 101          H33A      SDO  42  -9.808  15.503  -2.071
  640   H36A  SDO 101          H36A      SDO  42 -12.160  16.073  -1.714
  641   H37A  SDO 101          H37A      SDO  42 -14.335  16.306  -0.560
  642   H37B  SDO 101          H37B      SDO  42 -13.621  15.434   0.800
  643   H38A  SDO 101          H38A      SDO  42 -12.667  18.133  -0.229
  644   H38B  SDO 101          H38B      SDO  42 -13.892  17.942   0.978
  645   H41A  SDO 101          H41A      SDO  42 -11.436  15.602   1.089
  646   H42A  SDO 101          H42A      SDO  42 -10.426  16.605   3.627
  647   H42B  SDO 101          H42B      SDO  42 -10.232  14.966   2.987
  648   H43A  SDO 101          H43A      SDO  42  -8.878  17.443   1.968
  649   H43B  SDO 101          H43B      SDO  42  -8.661  15.833   1.319
  650    H1A  SDO 101           H1A      SDO  42  -7.110  14.514   5.008
  651    H1B  SDO 101           H1B      SDO  42  -7.316  16.131   5.636
  652    H2A  SDO 101           H2A      SDO  42  -9.505  14.390   4.589
  653    H2B  SDO 101           H2B      SDO  42  -9.699  15.983   5.265
  654    H4A  SDO 101           H4A      SDO  42  -8.441  13.076   8.134
  655    H4B  SDO 101           H4B      SDO  42  -8.606  14.693   8.767
  656    H5A  SDO 101           H5A      SDO  42  -6.739  15.444   7.358
  657    H5B  SDO 101           H5B      SDO  42  -6.501  13.768   6.853
  658    H6A  SDO 101           H6A      SDO  42  -6.120  13.105   9.162
  659    H6B  SDO 101           H6B      SDO  42  -6.421  14.750   9.706
  660    H8A  SDO 101           H8A      SDO  42  -4.333  14.316   6.614
  661    H8B  SDO 101           H8B      SDO  42  -2.964  15.084   7.423
  662    H8C  SDO 101           H8C      SDO  42  -4.482  15.974   7.218
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  17.870  -3.094   1.009
    2    H2   MET   1           HT2      MET   1  16.987  -4.061  -0.109
    3    H3   MET   1           HT3      MET   1  18.488  -3.460  -0.511
    4    HA   MET   1           HA       MET   1  18.350  -5.829   0.136
    5    HB2  MET   1           HB2      MET   1  20.492  -4.640   0.103
    6    HB3  MET   1           HB1      MET   1  20.199  -4.030   1.728
    7    HG2  MET   1           HG2      MET   1  20.277  -6.342   2.580
    8    HG3  MET   1           HG1      MET   1  20.627  -6.910   0.949
    9    HE1  MET   1           HE1      MET   1  22.899  -6.365  -0.362
   10    HE2  MET   1           HE2      MET   1  24.150  -5.292   0.264
   11    HE3  MET   1           HE3      MET   1  22.563  -4.649  -0.164
   12    H    ALA   2           HN       ALA   2  18.877  -4.158   3.289
   13    HA   ALA   2           HA       ALA   2  17.228  -6.232   4.470
   14    HB1  ALA   2           HB1      ALA   2  18.821  -4.060   5.825
   15    HB2  ALA   2           HB2      ALA   2  19.400  -5.692   5.489
   16    HB3  ALA   2           HB3      ALA   2  18.062  -5.439   6.615
   17    H    THR   3           HN       THR   3  17.185  -2.719   4.075
   18    HA   THR   3           HA       THR   3  14.612  -2.742   5.383
   19    HB   THR   3           HB       THR   3  16.027  -0.947   6.166
   20    HG1  THR   3           HG1      THR   3  14.628   0.904   4.974
   21   HG21  THR   3          HG21      THR   3  16.856   0.880   4.717
   22   HG22  THR   3          HG22      THR   3  16.264  -0.003   3.303
   23   HG23  THR   3          HG23      THR   3  17.564  -0.677   4.289
   24    H    LEU   4           HN       LEU   4  13.447  -3.865   3.948
   25    HA   LEU   4           HA       LEU   4  12.642  -2.354   1.617
   26    HB2  LEU   4           HB2      LEU   4  14.285  -4.026   0.856
   27    HB3  LEU   4           HB1      LEU   4  13.297  -5.314   1.553
   28    HG   LEU   4           HG       LEU   4  11.501  -4.599  -0.055
   29   HD11  LEU   4          HD11      LEU   4  12.278  -2.344  -0.476
   30   HD12  LEU   4          HD12      LEU   4  12.180  -3.254  -1.986
   31   HD13  LEU   4          HD13      LEU   4  13.747  -2.964  -1.231
   32   HD21  LEU   4          HD21      LEU   4  12.884  -6.552  -0.504
   33   HD22  LEU   4          HD22      LEU   4  14.127  -5.522  -1.217
   34   HD23  LEU   4          HD23      LEU   4  12.558  -5.681  -2.004
   35    H    LEU   5           HN       LEU   5  10.514  -2.787   1.045
   36    HA   LEU   5           HA       LEU   5   8.921  -3.899   3.231
   37    HB2  LEU   5           HB2      LEU   5   8.684  -1.509   2.266
   38    HB3  LEU   5           HB1      LEU   5   7.998  -2.281   0.859
   39    HG   LEU   5           HG       LEU   5   6.819  -2.405   3.647
   40   HD11  LEU   5          HD11      LEU   5   6.157  -0.726   1.266
   41   HD12  LEU   5          HD12      LEU   5   6.781  -0.162   2.819
   42   HD13  LEU   5          HD13      LEU   5   5.157  -0.854   2.705
   43   HD21  LEU   5          HD21      LEU   5   5.625  -3.131   0.977
   44   HD22  LEU   5          HD22      LEU   5   4.798  -3.161   2.537
   45   HD23  LEU   5          HD23      LEU   5   6.128  -4.276   2.223
   46    H    THR   6           HN       THR   6   7.879  -5.807   2.862
   47    HA   THR   6           HA       THR   6   7.939  -6.900   0.152
   48    HB   THR   6           HB       THR   6   7.863  -9.116   1.362
   49    HG1  THR   6           HG1      THR   6   8.858  -8.424   3.718
   50   HG21  THR   6          HG21      THR   6   9.989  -8.215   0.482
   51   HG22  THR   6          HG22      THR   6  10.259  -9.094   1.981
   52   HG23  THR   6          HG23      THR   6  10.235  -7.329   1.987
   53    H    THR   7           HN       THR   7   6.206  -8.853   0.146
   54    HA   THR   7           HA       THR   7   3.624  -7.707   0.314
   55    HB   THR   7           HB       THR   7   4.330 -10.658   0.116
   56    HG1  THR   7           HG1      THR   7   4.489 -10.293  -2.139
   57   HG21  THR   7          HG21      THR   7   2.268 -10.778  -1.233
   58   HG22  THR   7          HG22      THR   7   2.014  -9.050  -1.002
   59   HG23  THR   7          HG23      THR   7   1.932 -10.145   0.380
   60    H    ASP   8           HN       ASP   8   5.640  -9.487   2.418
   61    HA   ASP   8           HA       ASP   8   3.788 -10.641   4.238
   62    HB2  ASP   8           HB2      ASP   8   6.160 -11.343   3.984
   63    HB3  ASP   8           HB1      ASP   8   6.668  -9.804   4.645
   64    H    ASP   9           HN       ASP   9   5.676  -7.665   4.189
   65    HA   ASP   9           HA       ASP   9   4.716  -6.762   6.723
   66    HB2  ASP   9           HB2      ASP   9   6.941  -6.099   5.767
   67    HB3  ASP   9           HB1      ASP   9   6.084  -5.094   4.613
   68    H    LEU  10           HN       LEU  10   3.987  -5.976   3.362
   69    HA   LEU  10           HA       LEU  10   2.245  -3.835   3.863
   70    HB2  LEU  10           HB2      LEU  10   3.075  -4.298   1.611
   71    HB3  LEU  10           HB1      LEU  10   2.112  -5.770   1.550
   72    HG   LEU  10           HG       LEU  10   0.079  -4.310   1.901
   73   HD11  LEU  10          HD11      LEU  10   1.990  -2.107   1.215
   74   HD12  LEU  10          HD12      LEU  10   1.107  -2.326   2.727
   75   HD13  LEU  10          HD13      LEU  10   0.230  -1.970   1.239
   76   HD21  LEU  10          HD21      LEU  10   0.581  -5.293  -0.258
   77   HD22  LEU  10          HD22      LEU  10   1.639  -3.935  -0.648
   78   HD23  LEU  10          HD23      LEU  10  -0.092  -3.673  -0.453
   79    H    ARG  11           HN       ARG  11   1.687  -7.291   3.859
   80    HA   ARG  11           HA       ARG  11  -1.071  -7.356   3.772
   81    HB2  ARG  11           HB2      ARG  11   0.437  -9.330   3.687
   82    HB3  ARG  11           HB1      ARG  11   0.738  -9.127   5.396
   83    HG2  ARG  11           HG2      ARG  11  -1.384  -9.808   6.010
   84    HG3  ARG  11           HG1      ARG  11  -2.047  -9.513   4.399
   85    HD2  ARG  11           HD2      ARG  11  -1.764 -11.911   4.858
   86    HD3  ARG  11           HD1      ARG  11  -0.781 -11.361   3.501
   87    HE   ARG  11           HE       ARG  11   0.359 -11.597   6.184
   88   HH11  ARG  11          HH11      ARG  11   0.363 -12.573   2.746
   89   HH12  ARG  11          HH12      ARG  11   1.755 -13.528   2.887
   90   HH21  ARG  11          HH21      ARG  11   2.281 -12.846   6.342
   91   HH22  ARG  11          HH22      ARG  11   2.937 -13.665   5.000
   92    H    ARG  12           HN       ARG  12   1.009  -6.881   6.543
   93    HA   ARG  12           HA       ARG  12  -1.218  -6.639   8.359
   94    HB2  ARG  12           HB2      ARG  12   1.726  -6.069   8.738
   95    HB3  ARG  12           HB1      ARG  12   0.525  -6.070  10.030
   96    HG2  ARG  12           HG2      ARG  12   0.092  -8.405   9.692
   97    HG3  ARG  12           HG1      ARG  12   1.147  -8.435   8.284
   98    HD2  ARG  12           HD2      ARG  12   3.056  -7.869   9.746
   99    HD3  ARG  12           HD1      ARG  12   1.972  -7.940  11.142
  100    HE   ARG  12           HE       ARG  12   1.708 -10.249  10.802
  101   HH11  ARG  12          HH11      ARG  12   4.152  -8.782   8.734
  102   HH12  ARG  12          HH12      ARG  12   4.906 -10.209   8.250
  103   HH21  ARG  12          HH21      ARG  12   2.704 -12.306  10.167
  104   HH22  ARG  12          HH22      ARG  12   4.063 -12.325   9.160
  105    H    ALA  13           HN       ALA  13   1.003  -4.516   6.698
  106    HA   ALA  13           HA       ALA  13   0.434  -2.083   7.920
  107    HB1  ALA  13           HB1      ALA  13   1.357  -1.077   5.914
  108    HB2  ALA  13           HB2      ALA  13   1.212  -2.625   5.074
  109    HB3  ALA  13           HB3      ALA  13   2.319  -2.463   6.440
  110    H    LEU  14           HN       LEU  14  -1.066  -3.657   5.171
  111    HA   LEU  14           HA       LEU  14  -2.675  -1.518   4.340
  112    HB2  LEU  14           HB2      LEU  14  -1.995  -3.725   3.146
  113    HB3  LEU  14           HB1      LEU  14  -3.356  -4.425   3.988
  114    HG   LEU  14           HG       LEU  14  -4.855  -2.827   2.845
  115   HD11  LEU  14          HD11      LEU  14  -3.282  -1.027   2.446
  116   HD12  LEU  14          HD12      LEU  14  -3.993  -1.571   0.920
  117   HD13  LEU  14          HD13      LEU  14  -2.352  -2.056   1.359
  118   HD21  LEU  14          HD21      LEU  14  -3.107  -4.462   1.021
  119   HD22  LEU  14          HD22      LEU  14  -4.738  -3.886   0.655
  120   HD23  LEU  14          HD23      LEU  14  -4.481  -5.062   1.946
  121    H    VAL  15           HN       VAL  15  -3.192  -4.208   6.545
  122    HA   VAL  15           HA       VAL  15  -5.913  -3.871   7.183
  123    HB   VAL  15           HB       VAL  15  -3.630  -4.887   8.908
  124   HG11  VAL  15          HG11      VAL  15  -6.614  -5.301   9.250
  125   HG12  VAL  15          HG12      VAL  15  -5.599  -4.289  10.270
  126   HG13  VAL  15          HG13      VAL  15  -5.353  -6.038  10.238
  127   HG21  VAL  15          HG21      VAL  15  -3.902  -6.158   6.855
  128   HG22  VAL  15          HG22      VAL  15  -5.617  -6.374   7.198
  129   HG23  VAL  15          HG23      VAL  15  -4.411  -7.117   8.245
  130    H    GLU  16           HN       GLU  16  -3.038  -2.824   9.009
  131    HA   GLU  16           HA       GLU  16  -4.081  -1.285  11.005
  132    HB2  GLU  16           HB2      GLU  16  -1.614  -0.721   9.360
  133    HB3  GLU  16           HB1      GLU  16  -1.962  -0.050  10.950
  134    HG2  GLU  16           HG2      GLU  16  -1.885  -2.282  11.908
  135    HG3  GLU  16           HG1      GLU  16  -1.585  -2.965  10.326
  136    H    SER  17           HN       SER  17  -3.667  -0.403   7.654
  137    HA   SER  17           HA       SER  17  -4.218   2.392   8.138
  138    HB2  SER  17           HB2      SER  17  -3.636   0.915   5.600
  139    HB3  SER  17           HB1      SER  17  -3.575   2.665   5.856
  140    HG   SER  17           HG       SER  17  -1.856   0.658   6.746
  141    H    ALA  18           HN       ALA  18  -6.123  -0.313   7.624
  142    HA   ALA  18           HA       ALA  18  -8.119   1.120   6.039
  143    HB1  ALA  18           HB1      ALA  18  -8.126  -1.715   7.073
  144    HB2  ALA  18           HB2      ALA  18  -7.652  -1.222   5.446
  145    HB3  ALA  18           HB3      ALA  18  -9.321  -1.002   5.990
  146    H    GLY  19           HN       GLY  19  -7.205   0.805   9.149
  147    HA2  GLY  19           HA2      GLY  19  -8.202   1.544  11.096
  148    HA3  GLY  19           HA1      GLY  19  -9.695   1.817  10.192
  149    H    GLU  20           HN       GLU  20 -11.149   0.195   9.931
  150    HA   GLU  20           HA       GLU  20 -10.658  -2.458  10.637
  151    HB2  GLU  20           HB2      GLU  20 -10.720  -1.602  12.926
  152    HB3  GLU  20           HB1      GLU  20 -12.301  -0.879  12.615
  153    HG2  GLU  20           HG2      GLU  20 -13.324  -2.990  12.409
  154    HG3  GLU  20           HG1      GLU  20 -11.764  -3.818  12.398
  155    H    THR  21           HN       THR  21 -11.959  -3.643   9.549
  156    HA   THR  21           HA       THR  21 -14.682  -3.285   9.191
  157    HB   THR  21           HB       THR  21 -14.042  -1.398   7.663
  158    HG1  THR  21           HG1      THR  21 -15.834  -2.789   7.024
  159   HG21  THR  21          HG21      THR  21 -11.782  -2.112   7.060
  160   HG22  THR  21          HG22      THR  21 -12.729  -1.830   5.600
  161   HG23  THR  21          HG23      THR  21 -12.432  -3.477   6.155
  162    H    ASP  22           HN       ASP  22 -15.181  -4.910   7.112
  163    HA   ASP  22           HA       ASP  22 -13.423  -7.125   7.566
  164    HB2  ASP  22           HB2      ASP  22 -15.158  -8.418   6.357
  165    HB3  ASP  22           HB1      ASP  22 -15.828  -7.607   7.761
  166    H    GLY  23           HN       GLY  23 -11.705  -6.969   6.421
  167    HA2  GLY  23           HA2      GLY  23 -11.733  -5.514   3.898
  168    HA3  GLY  23           HA1      GLY  23 -10.303  -5.977   4.812
  169    H    THR  24           HN       THR  24 -12.913  -8.135   3.867
  170    HA   THR  24           HA       THR  24 -12.916 -10.095   2.715
  171    HB   THR  24           HB       THR  24 -12.163  -9.945   0.341
  172    HG1  THR  24           HG1      THR  24 -10.596  -7.927   1.354
  173   HG21  THR  24          HG21      THR  24 -13.497  -8.009  -0.344
  174   HG22  THR  24          HG22      THR  24 -13.485  -7.423   1.319
  175   HG23  THR  24          HG23      THR  24 -14.293  -8.943   0.925
  176    H    ASP  25           HN       ASP  25 -10.829 -11.046   0.929
  177    HA   ASP  25           HA       ASP  25  -9.259 -12.186   3.061
  178    HB2  ASP  25           HB2      ASP  25  -9.508 -13.060   0.191
  179    HB3  ASP  25           HB1      ASP  25  -8.428 -13.814   1.361
  180    H    LEU  26           HN       LEU  26  -7.897 -10.759   3.618
  181    HA   LEU  26           HA       LEU  26  -5.961  -9.744   1.669
  182    HB2  LEU  26           HB2      LEU  26  -7.221  -8.677   3.942
  183    HB3  LEU  26           HB1      LEU  26  -5.553  -8.935   4.408
  184    HG   LEU  26           HG       LEU  26  -4.837  -7.559   2.470
  185   HD11  LEU  26          HD11      LEU  26  -6.755  -7.921   1.023
  186   HD12  LEU  26          HD12      LEU  26  -6.514  -6.194   1.307
  187   HD13  LEU  26          HD13      LEU  26  -7.793  -7.064   2.158
  188   HD21  LEU  26          HD21      LEU  26  -5.532  -5.412   3.438
  189   HD22  LEU  26          HD22      LEU  26  -5.072  -6.573   4.688
  190   HD23  LEU  26          HD23      LEU  26  -6.777  -6.245   4.370
  191    H    SER  27           HN       SER  27  -6.380 -12.434   3.209
  192    HA   SER  27           HA       SER  27  -3.881 -12.675   4.628
  193    HB2  SER  27           HB2      SER  27  -6.008 -13.672   5.508
  194    HB3  SER  27           HB1      SER  27  -5.995 -14.791   4.141
  195    HG   SER  27           HG       SER  27  -5.041 -15.567   6.170
  196    H    GLY  28           HN       GLY  28  -2.174 -13.862   3.998
  197    HA2  GLY  28           HA2      GLY  28  -0.788 -15.107   2.691
  198    HA3  GLY  28           HA1      GLY  28  -2.208 -15.724   1.865
  199    H    ASP  29           HN       ASP  29  -2.179 -15.358  -0.161
  200    HA   ASP  29           HA       ASP  29  -0.566 -13.182  -1.238
  201    HB2  ASP  29           HB2      ASP  29  -1.985 -15.393  -2.759
  202    HB3  ASP  29           HB1      ASP  29  -0.802 -14.268  -3.399
  203    H    PHE  30           HN       PHE  30  -1.526 -11.348  -1.538
  204    HA   PHE  30           HA       PHE  30  -4.154 -11.237  -2.855
  205    HB2  PHE  30           HB2      PHE  30  -4.891  -9.437  -1.348
  206    HB3  PHE  30           HB1      PHE  30  -4.475 -10.846  -0.386
  207    HD1  PHE  30           HD2      PHE  30  -2.232 -10.880   0.783
  208    HD2  PHE  30           HD1      PHE  30  -3.832  -7.372  -1.009
  209    HE1  PHE  30           HE2      PHE  30  -0.663  -9.515   2.055
  210    HE2  PHE  30           HE1      PHE  30  -2.264  -5.995   0.276
  211    HZ   PHE  30           HZ       PHE  30  -0.673  -7.058   1.813
  212    H    LEU  31           HN       LEU  31  -1.226 -10.905  -3.442
  213    HA   LEU  31           HA       LEU  31  -0.618  -8.122  -3.584
  214    HB2  LEU  31           HB2      LEU  31   1.070  -9.923  -3.278
  215    HB3  LEU  31           HB1      LEU  31   0.790 -10.416  -4.936
  216    HG   LEU  31           HG       LEU  31   1.585  -8.193  -5.697
  217   HD11  LEU  31          HD11      LEU  31   2.269  -7.813  -2.786
  218   HD12  LEU  31          HD12      LEU  31   1.095  -6.887  -3.722
  219   HD13  LEU  31          HD13      LEU  31   2.810  -6.781  -4.110
  220   HD21  LEU  31          HD21      LEU  31   3.952  -8.612  -5.206
  221   HD22  LEU  31          HD22      LEU  31   3.092 -10.076  -5.667
  222   HD23  LEU  31          HD23      LEU  31   3.478  -9.781  -3.973
  223    H    ASP  32           HN       ASP  32  -2.128 -10.355  -5.763
  224    HA   ASP  32           HA       ASP  32  -2.071  -8.243  -7.792
  225    HB2  ASP  32           HB2      ASP  32  -2.414  -9.908  -9.543
  226    HB3  ASP  32           HB1      ASP  32  -0.983 -10.298  -8.612
  227    H    LEU  33           HN       LEU  33  -3.875  -8.986  -5.443
  228    HA   LEU  33           HA       LEU  33  -6.443  -9.109  -6.813
  229    HB2  LEU  33           HB2      LEU  33  -5.973 -10.482  -4.753
  230    HB3  LEU  33           HB1      LEU  33  -5.780  -9.000  -3.846
  231    HG   LEU  33           HG       LEU  33  -8.165  -8.485  -4.183
  232   HD11  LEU  33          HD11      LEU  33  -8.465  -9.570  -6.360
  233   HD12  LEU  33          HD12      LEU  33  -9.640 -10.166  -5.182
  234   HD13  LEU  33          HD13      LEU  33  -8.237 -11.148  -5.604
  235   HD21  LEU  33          HD21      LEU  33  -9.073 -10.286  -2.804
  236   HD22  LEU  33          HD22      LEU  33  -7.483  -9.773  -2.231
  237   HD23  LEU  33          HD23      LEU  33  -7.651 -11.274  -3.150
  238    H    ARG  34           HN       ARG  34  -7.720  -7.277  -6.993
  239    HA   ARG  34           HA       ARG  34  -6.182  -4.837  -6.860
  240    HB2  ARG  34           HB2      ARG  34  -8.986  -5.228  -7.871
  241    HB3  ARG  34           HB1      ARG  34  -7.956  -3.823  -8.143
  242    HG2  ARG  34           HG2      ARG  34  -6.392  -5.263  -9.396
  243    HG3  ARG  34           HG1      ARG  34  -7.493  -6.620  -9.171
  244    HD2  ARG  34           HD2      ARG  34  -7.898  -5.710 -11.334
  245    HD3  ARG  34           HD1      ARG  34  -9.261  -5.264 -10.304
  246    HE   ARG  34           HE       ARG  34  -7.027  -3.499 -10.993
  247   HH11  ARG  34          HH11      ARG  34 -10.501  -3.890 -10.206
  248   HH12  ARG  34          HH12      ARG  34 -10.820  -2.224 -10.430
  249   HH21  ARG  34          HH21      ARG  34  -7.568  -1.334 -11.412
  250   HH22  ARG  34          HH22      ARG  34  -9.164  -0.732 -11.210
  251    H    PHE  35           HN       PHE  35  -6.843  -2.863  -5.976
  252    HA   PHE  35           HA       PHE  35  -7.733  -3.052  -3.321
  253    HB2  PHE  35           HB2      PHE  35  -7.322  -0.626  -5.057
  254    HB3  PHE  35           HB1      PHE  35  -7.780  -0.511  -3.361
  255    HD1  PHE  35           HD2      PHE  35  -6.199  -1.574  -1.649
  256    HD2  PHE  35           HD1      PHE  35  -5.094  -0.831  -5.687
  257    HE1  PHE  35           HE2      PHE  35  -3.827  -1.709  -1.024
  258    HE2  PHE  35           HE1      PHE  35  -2.716  -0.974  -5.067
  259    HZ   PHE  35           HZ       PHE  35  -2.090  -1.365  -2.703
  260    H    GLU  36           HN       GLU  36  -9.522  -2.303  -6.226
  261    HA   GLU  36           HA       GLU  36 -11.771  -1.222  -4.902
  262    HB2  GLU  36           HB2      GLU  36 -11.657  -2.556  -7.619
  263    HB3  GLU  36           HB1      GLU  36 -12.969  -1.545  -7.015
  264    HG2  GLU  36           HG2      GLU  36 -11.371   0.337  -6.837
  265    HG3  GLU  36           HG1      GLU  36 -10.146  -0.682  -7.582
  266    H    ASP  37           HN       ASP  37 -10.752  -4.478  -5.617
  267    HA   ASP  37           HA       ASP  37 -13.241  -5.760  -5.035
  268    HB2  ASP  37           HB2      ASP  37 -10.408  -6.822  -5.050
  269    HB3  ASP  37           HB1      ASP  37 -11.832  -7.817  -4.813
  270    H    ILE  38           HN       ILE  38 -10.253  -5.148  -3.298
  271    HA   ILE  38           HA       ILE  38 -11.204  -6.477  -0.955
  272    HB   ILE  38           HB       ILE  38  -9.027  -5.911   0.075
  273   HG12  ILE  38          HG12      ILE  38  -8.479  -4.509  -2.563
  274   HG13  ILE  38          HG11      ILE  38  -8.656  -3.723  -1.000
  275   HG21  ILE  38          HG21      ILE  38  -7.669  -7.276  -1.430
  276   HG22  ILE  38          HG22      ILE  38  -8.809  -7.002  -2.736
  277   HG23  ILE  38          HG23      ILE  38  -9.303  -7.923  -1.315
  278   HD11  ILE  38          HD11      ILE  38  -6.647  -4.844  -0.204
  279   HD12  ILE  38          HD12      ILE  38  -6.324  -3.893  -1.653
  280   HD13  ILE  38          HD13      ILE  38  -6.468  -5.647  -1.762
  281    H    GLY  39           HN       GLY  39 -12.272  -3.759  -1.977
  282    HA2  GLY  39           HA2      GLY  39 -13.531  -2.112  -0.959
  283    HA3  GLY  39           HA1      GLY  39 -13.249  -2.943   0.560
  284    H    TYR  40           HN       TYR  40 -10.829  -1.505  -1.595
  285    HA   TYR  40           HA       TYR  40 -10.196   0.302   0.598
  286    HB2  TYR  40           HB2      TYR  40  -8.446  -1.103  -1.341
  287    HB3  TYR  40           HB1      TYR  40  -7.924   0.464  -0.723
  288    HD1  TYR  40           HD2      TYR  40  -9.184  -2.834   0.399
  289    HD2  TYR  40           HD1      TYR  40  -6.792   0.546   1.302
  290    HE1  TYR  40           HE2      TYR  40  -8.382  -3.966   2.374
  291    HE2  TYR  40           HE1      TYR  40  -5.955  -0.559   3.313
  292    HH   TYR  40           HH       TYR  40  -6.649  -3.880   4.007
  293    H    ASP  41           HN       ASP  41 -10.811   2.189   0.382
  294    HA   ASP  41           HA       ASP  41 -11.106   3.424  -2.240
  295    HB2  ASP  41           HB2      ASP  41 -11.833   4.408   0.537
  296    HB3  ASP  41           HB1      ASP  41 -12.067   5.341  -0.933
  297    H    SER  42           HN       SER  42 -10.336   5.686  -2.408
  298    HA   SER  42           HA       SER  42  -7.626   5.883  -2.470
  299    HB2  SER  42           HB2      SER  42  -8.099   8.333  -2.705
  300    HB3  SER  42           HB1      SER  42  -9.040   7.278  -3.773
  301    H    LEU  43           HN       LEU  43  -9.779   7.253  -0.077
  302    HA   LEU  43           HA       LEU  43  -8.023   8.611   1.558
  303    HB2  LEU  43           HB2      LEU  43 -10.473   7.084   2.425
  304    HB3  LEU  43           HB1      LEU  43  -9.647   8.298   3.382
  305    HG   LEU  43           HG       LEU  43 -11.078   8.781   0.766
  306   HD11  LEU  43          HD11      LEU  43 -11.777   9.549   3.593
  307   HD12  LEU  43          HD12      LEU  43 -12.589   8.325   2.617
  308   HD13  LEU  43          HD13      LEU  43 -12.663  10.022   2.144
  309   HD21  LEU  43          HD21      LEU  43  -9.160  10.260   1.039
  310   HD22  LEU  43          HD22      LEU  43  -9.709  10.687   2.652
  311   HD23  LEU  43          HD23      LEU  43 -10.667  11.165   1.245
  312    H    ALA  44           HN       ALA  44  -8.912   5.199   1.755
  313    HA   ALA  44           HA       ALA  44  -7.403   4.666   4.098
  314    HB1  ALA  44           HB1      ALA  44  -9.330   3.308   3.485
  315    HB2  ALA  44           HB2      ALA  44  -7.873   2.316   3.600
  316    HB3  ALA  44           HB3      ALA  44  -8.507   2.768   2.021
  317    H    LEU  45           HN       LEU  45  -6.758   4.608   0.663
  318    HA   LEU  45           HA       LEU  45  -4.371   3.119   0.911
  319    HB2  LEU  45           HB2      LEU  45  -5.723   3.214  -1.105
  320    HB3  LEU  45           HB1      LEU  45  -5.292   4.899  -1.320
  321    HG   LEU  45           HG       LEU  45  -3.249   4.365  -2.278
  322   HD11  LEU  45          HD11      LEU  45  -1.925   2.403  -1.714
  323   HD12  LEU  45          HD12      LEU  45  -3.220   1.754  -0.701
  324   HD13  LEU  45          HD13      LEU  45  -2.359   3.225  -0.218
  325   HD21  LEU  45          HD21      LEU  45  -4.969   3.234  -3.517
  326   HD22  LEU  45          HD22      LEU  45  -4.789   1.904  -2.348
  327   HD23  LEU  45          HD23      LEU  45  -3.469   2.246  -3.471
  328    H    MET  46           HN       MET  46  -5.154   6.569   0.956
  329    HA   MET  46           HA       MET  46  -2.527   7.725   0.862
  330    HB2  MET  46           HB2      MET  46  -4.676   8.735   2.731
  331    HB3  MET  46           HB1      MET  46  -3.427   9.665   1.923
  332    HG2  MET  46           HG2      MET  46  -4.618   9.172  -0.201
  333    HG3  MET  46           HG1      MET  46  -5.852   8.409   0.816
  334    HE1  MET  46           HE1      MET  46  -7.262   9.681   2.695
  335    HE2  MET  46           HE2      MET  46  -7.100  11.399   3.037
  336    HE3  MET  46           HE3      MET  46  -5.766  10.300   3.396
  337    H    GLU  47           HN       GLU  47  -4.615   6.757   3.426
  338    HA   GLU  47           HA       GLU  47  -3.071   7.041   5.665
  339    HB2  GLU  47           HB2      GLU  47  -5.373   5.659   4.681
  340    HB3  GLU  47           HB1      GLU  47  -4.836   4.984   6.240
  341    HG2  GLU  47           HG2      GLU  47  -5.807   7.733   5.444
  342    HG3  GLU  47           HG1      GLU  47  -6.540   6.620   6.596
  343    H    THR  48           HN       THR  48  -3.414   4.268   3.496
  344    HA   THR  48           HA       THR  48  -1.795   2.380   4.750
  345    HB   THR  48           HB       THR  48  -2.260   2.896   1.799
  346    HG1  THR  48           HG1      THR  48  -4.141   2.426   3.140
  347   HG21  THR  48          HG21      THR  48  -1.678   0.548   1.443
  348   HG22  THR  48          HG22      THR  48  -1.255   0.384   3.154
  349   HG23  THR  48          HG23      THR  48  -0.306   1.440   2.106
  350    H    ALA  49           HN       ALA  49  -0.974   4.747   2.291
  351    HA   ALA  49           HA       ALA  49   1.729   4.156   2.022
  352    HB1  ALA  49           HB1      ALA  49   1.948   6.332   0.954
  353    HB2  ALA  49           HB2      ALA  49   0.369   6.812   1.584
  354    HB3  ALA  49           HB3      ALA  49   0.489   5.501   0.406
  355    H    ALA  50           HN       ALA  50   0.118   6.509   4.133
  356    HA   ALA  50           HA       ALA  50   2.364   7.819   5.128
  357    HB1  ALA  50           HB1      ALA  50   0.959   8.543   6.980
  358    HB2  ALA  50           HB2      ALA  50  -0.208   7.277   6.601
  359    HB3  ALA  50           HB3      ALA  50   0.060   8.590   5.462
  360    H    ARG  51           HN       ARG  51   0.890   4.864   6.245
  361    HA   ARG  51           HA       ARG  51   2.375   4.493   8.637
  362    HB2  ARG  51           HB2      ARG  51   0.231   3.363   8.085
  363    HB3  ARG  51           HB1      ARG  51   1.022   2.477   6.809
  364    HG2  ARG  51           HG2      ARG  51   1.766   2.146   9.719
  365    HG3  ARG  51           HG1      ARG  51   0.461   1.239   8.964
  366    HD2  ARG  51           HD2      ARG  51   2.173   0.454   7.273
  367    HD3  ARG  51           HD1      ARG  51   3.408   1.159   8.319
  368    HE   ARG  51           HE       ARG  51   1.758  -0.506   9.846
  369   HH11  ARG  51          HH11      ARG  51   4.263  -0.803   7.337
  370   HH12  ARG  51          HH12      ARG  51   4.701  -2.396   7.668
  371   HH21  ARG  51          HH21      ARG  51   2.266  -2.696  10.335
  372   HH22  ARG  51          HH22      ARG  51   3.553  -3.507   9.560
  373    H    LEU  52           HN       LEU  52   2.953   3.724   5.306
  374    HA   LEU  52           HA       LEU  52   5.274   2.087   5.837
  375    HB2  LEU  52           HB2      LEU  52   4.190   3.133   3.227
  376    HB3  LEU  52           HB1      LEU  52   5.376   1.855   3.428
  377    HG   LEU  52           HG       LEU  52   2.496   1.740   4.316
  378   HD11  LEU  52          HD11      LEU  52   3.888   0.364   2.038
  379   HD12  LEU  52          HD12      LEU  52   2.702   1.661   1.912
  380   HD13  LEU  52          HD13      LEU  52   2.224   0.090   2.549
  381   HD21  LEU  52          HD21      LEU  52   2.982  -0.640   4.765
  382   HD22  LEU  52          HD22      LEU  52   3.893   0.457   5.795
  383   HD23  LEU  52          HD23      LEU  52   4.693  -0.330   4.448
  384    H    GLU  53           HN       GLU  53   4.572   5.255   4.445
  385    HA   GLU  53           HA       GLU  53   7.091   6.117   3.649
  386    HB2  GLU  53           HB2      GLU  53   4.866   7.751   4.895
  387    HB3  GLU  53           HB1      GLU  53   6.239   8.416   4.035
  388    HG2  GLU  53           HG2      GLU  53   5.481   7.375   1.977
  389    HG3  GLU  53           HG1      GLU  53   4.134   6.622   2.847
  390    H    SER  54           HN       SER  54   5.565   6.335   6.810
  391    HA   SER  54           HA       SER  54   7.513   7.886   8.076
  392    HB2  SER  54           HB2      SER  54   5.605   5.886   9.297
  393    HB3  SER  54           HB1      SER  54   6.467   7.153  10.172
  394    HG   SER  54           HG       SER  54   4.416   7.415   8.221
  395    H    ARG  55           HN       ARG  55   7.265   4.357   7.777
  396    HA   ARG  55           HA       ARG  55   9.440   3.924   9.622
  397    HB2  ARG  55           HB2      ARG  55   7.661   2.248   9.424
  398    HB3  ARG  55           HB1      ARG  55   8.120   1.953   7.745
  399    HG2  ARG  55           HG2      ARG  55  10.404   1.318   8.601
  400    HG3  ARG  55           HG1      ARG  55   9.724   1.374  10.219
  401    HD2  ARG  55           HD2      ARG  55   8.767  -0.381   7.971
  402    HD3  ARG  55           HD1      ARG  55   9.811  -0.892   9.289
  403    HE   ARG  55           HE       ARG  55   7.577   0.143  10.492
  404   HH11  ARG  55          HH11      ARG  55   8.312  -2.457   8.215
  405   HH12  ARG  55          HH12      ARG  55   6.982  -3.421   8.605
  406   HH21  ARG  55          HH21      ARG  55   5.703  -1.264  11.133
  407   HH22  ARG  55          HH22      ARG  55   5.540  -2.774  10.365
  408    H    TYR  56           HN       TYR  56   8.991   3.667   6.133
  409    HA   TYR  56           HA       TYR  56  11.704   2.742   5.819
  410    HB2  TYR  56           HB2      TYR  56   9.509   3.102   3.770
  411    HB3  TYR  56           HB1      TYR  56  11.085   2.400   3.437
  412    HD1  TYR  56           HD1      TYR  56  11.722   0.237   4.448
  413    HD2  TYR  56           HD2      TYR  56   7.807   1.822   4.923
  414    HE1  TYR  56           HE1      TYR  56  10.926  -1.965   5.220
  415    HE2  TYR  56           HE2      TYR  56   6.999  -0.376   5.684
  416    HH   TYR  56           HH       TYR  56   7.542  -2.666   5.733
  417    H    GLY  57           HN       GLY  57  10.190   5.741   5.792
  418    HA2  GLY  57           HA2      GLY  57  11.170   7.791   5.584
  419    HA3  GLY  57           HA1      GLY  57  12.677   6.990   5.158
  420    H    VAL  58           HN       VAL  58   9.430   7.244   3.742
  421    HA   VAL  58           HA       VAL  58  10.665   8.256   1.306
  422    HB   VAL  58           HB       VAL  58   9.293   6.849  -0.162
  423   HG11  VAL  58          HG11      VAL  58  10.310   4.672   0.181
  424   HG12  VAL  58          HG12      VAL  58  10.708   5.133   1.831
  425   HG13  VAL  58          HG13      VAL  58  11.488   5.971   0.480
  426   HG21  VAL  58          HG21      VAL  58   7.973   4.977   0.683
  427   HG22  VAL  58          HG22      VAL  58   7.345   6.521   1.256
  428   HG23  VAL  58          HG23      VAL  58   8.288   5.492   2.343
  429    H    SER  59           HN       SER  59   8.508   8.740  -0.250
  430    HA   SER  59           HA       SER  59   6.328   9.748   1.300
  431    HB2  SER  59           HB2      SER  59   8.067  11.637  -0.330
  432    HB3  SER  59           HB1      SER  59   6.535  12.060   0.421
  433    HG   SER  59           HG       SER  59   8.032  10.927   2.247
  434    H    ILE  60           HN       ILE  60   4.529   9.546   0.139
  435    HA   ILE  60           HA       ILE  60   4.814   9.228  -2.772
  436    HB   ILE  60           HB       ILE  60   2.876   7.642  -1.018
  437   HG12  ILE  60          HG12      ILE  60   5.292   6.689  -2.588
  438   HG13  ILE  60          HG11      ILE  60   5.217   6.825  -0.837
  439   HG21  ILE  60          HG21      ILE  60   1.956   8.189  -3.229
  440   HG22  ILE  60          HG22      ILE  60   2.306   6.458  -3.090
  441   HG23  ILE  60          HG23      ILE  60   3.397   7.507  -3.987
  442   HD11  ILE  60          HD11      ILE  60   3.448   5.137  -0.790
  443   HD12  ILE  60          HD12      ILE  60   4.916   4.527  -1.559
  444   HD13  ILE  60          HD13      ILE  60   3.540   5.005  -2.546
  445    HA   PRO  61           HA       PRO  61   1.877  12.597  -2.748
  446    HB2  PRO  61           HB2      PRO  61   1.675  11.940  -5.629
  447    HB3  PRO  61           HB1      PRO  61   2.129  13.461  -4.854
  448    HG2  PRO  61           HG2      PRO  61   3.959  11.958  -6.082
  449    HG3  PRO  61           HG1      PRO  61   4.345  12.816  -4.581
  450    HD2  PRO  61           HD2      PRO  61   3.660   9.927  -4.980
  451    HD3  PRO  61           HD1      PRO  61   4.928  10.652  -3.966
  452    H    ASP  62           HN       ASP  62  -0.307  12.732  -2.756
  453    HA   ASP  62           HA       ASP  62  -1.837  10.477  -2.313
  454    HB2  ASP  62           HB2      ASP  62  -3.798  11.987  -2.335
  455    HB3  ASP  62           HB1      ASP  62  -2.460  12.642  -1.402
  456    H    ASP  63           HN       ASP  63  -1.534  12.339  -5.308
  457    HA   ASP  63           HA       ASP  63  -3.593  10.974  -6.694
  458    HB2  ASP  63           HB2      ASP  63  -1.218  12.502  -7.752
  459    HB3  ASP  63           HB1      ASP  63  -2.393  11.744  -8.811
  460    H    VAL  64           HN       VAL  64  -0.224  10.324  -6.303
  461    HA   VAL  64           HA       VAL  64  -0.104   8.204  -8.194
  462    HB   VAL  64           HB       VAL  64   1.798   8.824  -5.916
  463   HG11  VAL  64          HG11      VAL  64   3.471   7.660  -7.291
  464   HG12  VAL  64          HG12      VAL  64   2.213   7.283  -8.472
  465   HG13  VAL  64          HG13      VAL  64   2.132   6.606  -6.845
  466   HG21  VAL  64          HG21      VAL  64   3.111  10.069  -7.572
  467   HG22  VAL  64          HG22      VAL  64   1.521  10.774  -7.325
  468   HG23  VAL  64          HG23      VAL  64   1.838   9.807  -8.768
  469    H    ALA  65           HN       ALA  65  -0.532   8.442  -4.692
  470    HA   ALA  65           HA       ALA  65  -0.469   5.713  -4.100
  471    HB1  ALA  65           HB1      ALA  65  -1.748   6.313  -2.101
  472    HB2  ALA  65           HB2      ALA  65  -2.041   7.919  -2.775
  473    HB3  ALA  65           HB3      ALA  65  -0.398   7.424  -2.356
  474    H    GLY  66           HN       GLY  66  -3.200   7.864  -4.890
  475    HA2  GLY  66           HA2      GLY  66  -5.063   5.656  -4.986
  476    HA3  GLY  66           HA1      GLY  66  -5.404   7.331  -5.397
  477    H    ARG  67           HN       ARG  67  -2.653   6.270  -6.968
  478    HA   ARG  67           HA       ARG  67  -4.063   6.027  -9.501
  479    HB2  ARG  67           HB2      ARG  67  -2.153   7.593  -9.334
  480    HB3  ARG  67           HB1      ARG  67  -1.106   6.250  -8.888
  481    HG2  ARG  67           HG2      ARG  67  -1.755   5.213 -11.072
  482    HG3  ARG  67           HG1      ARG  67  -2.490   6.790 -11.439
  483    HD2  ARG  67           HD2      ARG  67  -0.398   7.879 -11.366
  484    HD3  ARG  67           HD1      ARG  67   0.399   6.446 -10.700
  485    HE   ARG  67           HE       ARG  67  -0.808   5.740 -13.107
  486   HH11  ARG  67          HH11      ARG  67   1.931   7.746 -12.060
  487   HH12  ARG  67          HH12      ARG  67   2.804   7.507 -13.486
  488   HH21  ARG  67          HH21      ARG  67   0.390   5.369 -14.978
  489   HH22  ARG  67          HH22      ARG  67   1.918   6.090 -15.216
  490    H    VAL  68           HN       VAL  68  -2.609   4.055  -7.098
  491    HA   VAL  68           HA       VAL  68  -1.642   2.201  -9.020
  492    HB   VAL  68           HB       VAL  68  -0.854   0.771  -7.181
  493   HG11  VAL  68          HG11      VAL  68   0.566   2.521  -7.973
  494   HG12  VAL  68          HG12      VAL  68   0.767   2.349  -6.229
  495   HG13  VAL  68          HG13      VAL  68  -0.185   3.682  -6.883
  496   HG21  VAL  68          HG21      VAL  68  -0.977   1.541  -4.875
  497   HG22  VAL  68          HG22      VAL  68  -2.584   1.142  -5.502
  498   HG23  VAL  68          HG23      VAL  68  -2.085   2.831  -5.346
  499    H    ASP  69           HN       ASP  69  -2.206  -0.018  -9.136
  500    HA   ASP  69           HA       ASP  69  -5.152  -0.215  -9.192
  501    HB2  ASP  69           HB2      ASP  69  -3.628  -0.521 -11.292
  502    HB3  ASP  69           HB1      ASP  69  -3.223  -2.052 -10.566
  503    H    THR  70           HN       THR  70  -2.347  -2.318  -8.775
  504    HA   THR  70           HA       THR  70  -3.840  -3.922  -6.863
  505    HB   THR  70           HB       THR  70  -2.369  -5.784  -7.621
  506    HG1  THR  70           HG1      THR  70  -1.222  -5.312  -9.660
  507   HG21  THR  70          HG21      THR  70  -4.527  -5.460  -8.738
  508   HG22  THR  70          HG22      THR  70  -3.322  -6.026  -9.906
  509   HG23  THR  70          HG23      THR  70  -3.772  -4.319  -9.846
  510    HA   PRO  71           HA       PRO  71  -0.953  -2.974  -3.623
  511    HB2  PRO  71           HB2      PRO  71  -0.271  -5.886  -3.586
  512    HB3  PRO  71           HB1      PRO  71  -0.680  -4.813  -2.242
  513    HG2  PRO  71           HG2      PRO  71  -2.495  -6.479  -3.165
  514    HG3  PRO  71           HG1      PRO  71  -2.955  -4.810  -2.770
  515    HD2  PRO  71           HD2      PRO  71  -2.488  -6.072  -5.436
  516    HD3  PRO  71           HD1      PRO  71  -3.701  -4.865  -4.953
  517    H    ARG  72           HN       ARG  72   0.281  -5.119  -6.176
  518    HA   ARG  72           HA       ARG  72   3.002  -4.806  -5.455
  519    HB2  ARG  72           HB2      ARG  72   3.618  -5.785  -7.566
  520    HB3  ARG  72           HB1      ARG  72   2.249  -6.654  -6.902
  521    HG2  ARG  72           HG2      ARG  72   0.763  -5.564  -8.491
  522    HG3  ARG  72           HG1      ARG  72   2.105  -4.587  -9.096
  523    HD2  ARG  72           HD2      ARG  72   1.767  -6.422 -10.610
  524    HD3  ARG  72           HD1      ARG  72   3.272  -6.689  -9.734
  525    HE   ARG  72           HE       ARG  72   0.754  -8.115  -9.406
  526   HH11  ARG  72          HH11      ARG  72   4.209  -7.857  -8.525
  527   HH12  ARG  72          HH12      ARG  72   4.309  -9.469  -7.945
  528   HH21  ARG  72          HH21      ARG  72   1.003 -10.370  -8.639
  529   HH22  ARG  72          HH22      ARG  72   2.473 -10.867  -7.951
  530    H    GLU  73           HN       GLU  73   0.886  -2.808  -7.329
  531    HA   GLU  73           HA       GLU  73   2.822  -1.186  -8.586
  532    HB2  GLU  73           HB2      GLU  73  -0.012  -0.633  -7.687
  533    HB3  GLU  73           HB1      GLU  73   0.952   0.503  -8.619
  534    HG2  GLU  73           HG2      GLU  73   0.266  -2.266  -9.537
  535    HG3  GLU  73           HG1      GLU  73  -0.662  -0.817  -9.950
  536    H    LEU  74           HN       LEU  74   1.163  -1.045  -5.515
  537    HA   LEU  74           HA       LEU  74   2.249   1.382  -4.594
  538    HB2  LEU  74           HB2      LEU  74   0.152   0.313  -3.764
  539    HB3  LEU  74           HB1      LEU  74   1.098  -0.954  -3.030
  540    HG   LEU  74           HG       LEU  74   0.171   0.734  -1.435
  541   HD11  LEU  74          HD11      LEU  74   2.175   1.027  -0.102
  542   HD12  LEU  74          HD12      LEU  74   3.160   0.567  -1.494
  543   HD13  LEU  74          HD13      LEU  74   2.054  -0.600  -0.771
  544   HD21  LEU  74          HD21      LEU  74   0.383   2.726  -2.799
  545   HD22  LEU  74          HD22      LEU  74   2.140   2.594  -2.752
  546   HD23  LEU  74          HD23      LEU  74   1.240   2.928  -1.272
  547    H    LEU  75           HN       LEU  75   3.119  -2.039  -4.148
  548    HA   LEU  75           HA       LEU  75   5.319  -1.925  -2.453
  549    HB2  LEU  75           HB2      LEU  75   4.394  -3.722  -4.575
  550    HB3  LEU  75           HB1      LEU  75   6.108  -3.785  -4.247
  551    HG   LEU  75           HG       LEU  75   4.901  -5.481  -3.153
  552   HD11  LEU  75          HD11      LEU  75   6.914  -4.666  -2.066
  553   HD12  LEU  75          HD12      LEU  75   5.743  -5.119  -0.835
  554   HD13  LEU  75          HD13      LEU  75   5.989  -3.419  -1.234
  555   HD21  LEU  75          HD21      LEU  75   2.762  -4.444  -2.840
  556   HD22  LEU  75          HD22      LEU  75   3.446  -3.293  -1.696
  557   HD23  LEU  75          HD23      LEU  75   3.363  -5.010  -1.284
  558    H    ASP  76           HN       ASP  76   5.215  -1.781  -5.904
  559    HA   ASP  76           HA       ASP  76   7.965  -1.512  -6.394
  560    HB2  ASP  76           HB2      ASP  76   6.483  -2.211  -8.168
  561    HB3  ASP  76           HB1      ASP  76   5.619  -0.680  -8.113
  562    H    LEU  77           HN       LEU  77   5.463   0.887  -5.890
  563    HA   LEU  77           HA       LEU  77   6.937   3.209  -6.394
  564    HB2  LEU  77           HB2      LEU  77   4.742   2.618  -4.458
  565    HB3  LEU  77           HB1      LEU  77   5.391   4.218  -4.650
  566    HG   LEU  77           HG       LEU  77   3.934   2.599  -6.737
  567   HD11  LEU  77          HD11      LEU  77   3.179   5.093  -5.221
  568   HD12  LEU  77          HD12      LEU  77   2.506   3.484  -4.980
  569   HD13  LEU  77          HD13      LEU  77   2.225   4.334  -6.498
  570   HD21  LEU  77          HD21      LEU  77   4.077   4.595  -8.134
  571   HD22  LEU  77          HD22      LEU  77   5.690   3.993  -7.745
  572   HD23  LEU  77          HD23      LEU  77   5.052   5.401  -6.906
  573    H    ILE  78           HN       ILE  78   6.392   1.481  -3.375
  574    HA   ILE  78           HA       ILE  78   8.050   2.992  -1.706
  575    HB   ILE  78           HB       ILE  78   7.310   0.058  -1.546
  576   HG12  ILE  78          HG12      ILE  78   5.409   1.646  -1.490
  577   HG13  ILE  78          HG11      ILE  78   5.573   0.763   0.017
  578   HG21  ILE  78          HG21      ILE  78   8.509   1.819   0.603
  579   HG22  ILE  78          HG22      ILE  78   9.305   0.469  -0.211
  580   HG23  ILE  78          HG23      ILE  78   7.919   0.174   0.835
  581   HD11  ILE  78          HD11      ILE  78   6.460   3.597  -0.490
  582   HD12  ILE  78          HD12      ILE  78   6.643   2.714   1.029
  583   HD13  ILE  78          HD13      ILE  78   5.031   3.090   0.411
  584    H    ASN  79           HN       ASN  79   8.666  -0.098  -3.313
  585    HA   ASN  79           HA       ASN  79  11.295  -0.603  -2.554
  586    HB2  ASN  79           HB2      ASN  79   9.733  -1.370  -4.996
  587    HB3  ASN  79           HB1      ASN  79  11.412  -1.846  -4.828
  588   HD21  ASN  79          HD21      ASN  79   9.438  -1.722  -1.951
  589   HD22  ASN  79          HD22      ASN  79   9.246  -3.437  -1.782
  590    H    GLY  80           HN       GLY  80  10.163   1.230  -5.373
  591    HA2  GLY  80           HA2      GLY  80  12.712   1.729  -6.449
  592    HA3  GLY  80           HA1      GLY  80  11.252   2.646  -6.790
  593    H    ALA  81           HN       ALA  81  10.683   3.696  -4.316
  594    HA   ALA  81           HA       ALA  81  12.516   5.887  -4.208
  595    HB1  ALA  81           HB1      ALA  81  10.286   5.185  -2.310
  596    HB2  ALA  81           HB2      ALA  81  10.107   6.146  -3.776
  597    HB3  ALA  81           HB3      ALA  81  11.089   6.748  -2.439
  598    H    LEU  82           HN       LEU  82  11.908   3.114  -2.164
  599    HA   LEU  82           HA       LEU  82  13.462   3.882   0.027
  600    HB2  LEU  82           HB2      LEU  82  11.639   2.370   0.193
  601    HB3  LEU  82           HB1      LEU  82  12.363   1.276  -0.958
  602    HG   LEU  82           HG       LEU  82  14.043   0.676   0.618
  603   HD11  LEU  82          HD11      LEU  82  14.246   2.790   1.854
  604   HD12  LEU  82          HD12      LEU  82  13.906   1.464   2.971
  605   HD13  LEU  82          HD13      LEU  82  12.619   2.576   2.506
  606   HD21  LEU  82          HD21      LEU  82  12.582  -0.479   2.223
  607   HD22  LEU  82          HD22      LEU  82  11.969  -0.556   0.572
  608   HD23  LEU  82          HD23      LEU  82  11.253   0.567   1.731
  609    H    ALA  83           HN       ALA  83  14.216   2.111  -2.928
  610    HA   ALA  83           HA       ALA  83  16.707   1.096  -2.083
  611    HB1  ALA  83           HB1      ALA  83  15.806   1.776  -4.882
  612    HB2  ALA  83           HB2      ALA  83  15.515   0.243  -4.054
  613    HB3  ALA  83           HB3      ALA  83  17.164   0.737  -4.452
  614    H    GLU  84           HN       GLU  84  15.721   4.237  -3.240
  615    HA   GLU  84           HA       GLU  84  18.383   5.178  -3.681
  616    HB2  GLU  84           HB2      GLU  84  15.704   6.529  -3.578
  617    HB3  GLU  84           HB1      GLU  84  17.212   7.305  -4.030
  618    HG2  GLU  84           HG2      GLU  84  15.875   5.033  -5.470
  619    HG3  GLU  84           HG1      GLU  84  15.896   6.724  -5.982
  620    H    ALA  85           HN       ALA  85  15.756   5.636  -1.360
  621    HA   ALA  85           HA       ALA  85  16.936   7.611   0.218
  622    HB1  ALA  85           HB1      ALA  85  14.545   7.075   0.251
  623    HB2  ALA  85           HB2      ALA  85  15.244   7.093   1.869
  624    HB3  ALA  85           HB3      ALA  85  14.905   5.557   1.078
  625    H    ALA  86           HN       ALA  86  16.997   4.075   0.614
  626    HA   ALA  86           HA       ALA  86  19.156   4.485   2.541
  627    HB1  ALA  86           HB1      ALA  86  18.318   2.585   3.824
  628    HB2  ALA  86           HB2      ALA  86  16.952   2.434   2.717
  629    HB3  ALA  86           HB3      ALA  86  17.107   3.867   3.731
  630   H28A  SDO 101          H28A      SDO  42 -10.173  11.535  -1.720
  631   H28B  SDO 101          H28B      SDO  42  -8.953  10.280  -1.487
  632   H30A  SDO 101          H30A      SDO  42  -8.682  13.197  -0.880
  633   H30B  SDO 101          H30B      SDO  42  -7.089  13.449  -1.587
  634   H30C  SDO 101          H30C      SDO  42  -7.419  11.988  -0.652
  635   H31A  SDO 101          H31A      SDO  42  -6.331  11.928  -3.496
  636   H31B  SDO 101          H31B      SDO  42  -7.414  10.655  -4.054
  637   H31C  SDO 101          H31C      SDO  42  -6.687  10.550  -2.454
  638   H32A  SDO 101          H32A      SDO  42  -9.009  12.526  -4.615
  639   H33A  SDO 101          H33A      SDO  42  -7.700  14.246  -4.832
  640   H36A  SDO 101          H36A      SDO  42  -8.843  15.248  -2.919
  641   H37A  SDO 101          H37A      SDO  42 -10.798  16.772  -2.966
  642   H37B  SDO 101          H37B      SDO  42 -11.734  15.446  -2.260
  643   H38A  SDO 101          H38A      SDO  42  -9.351  16.810  -0.954
  644   H38B  SDO 101          H38B      SDO  42 -11.034  17.185  -0.631
  645   H41A  SDO 101          H41A      SDO  42  -8.798  16.127   0.967
  646   H42A  SDO 101          H42A      SDO  42  -9.899  14.861   2.991
  647   H42B  SDO 101          H42B      SDO  42  -9.640  13.501   1.861
  648   H43A  SDO 101          H43A      SDO  42  -7.549  15.425   2.770
  649   H43B  SDO 101          H43B      SDO  42  -7.261  13.923   1.899
  650    H1A  SDO 101           H1A      SDO  42  -8.767  11.833   5.292
  651    H1B  SDO 101           H1B      SDO  42  -8.948  13.369   6.104
  652    H2A  SDO 101           H2A      SDO  42 -10.312  12.572   3.567
  653    H2B  SDO 101           H2B      SDO  42 -10.525  14.087   4.403
  654    H4A  SDO 101           H4A      SDO  42 -12.044  10.722   6.560
  655    H4B  SDO 101           H4B      SDO  42 -12.200  12.239   7.395
  656    H5A  SDO 101           H5A      SDO  42  -9.756  12.404   7.592
  657    H5B  SDO 101           H5B      SDO  42  -9.627  10.806   6.850
  658    H6A  SDO 101           H6A      SDO  42 -10.950   9.841   8.649
  659    H6B  SDO 101           H6B      SDO  42 -11.140  11.427   9.384
  660    H8A  SDO 101           H8A      SDO  42  -7.076  10.755   9.742
  661    H8B  SDO 101           H8B      SDO  42  -7.865  12.089   8.892
  662    H8C  SDO 101           H8C      SDO  42  -7.693  10.507   8.104
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  22.766  -4.636   4.961
    2    H2   MET   1           HT2      MET   1  22.744  -4.561   3.293
    3    H3   MET   1           HT3      MET   1  23.287  -5.988   4.075
    4    HA   MET   1           HA       MET   1  21.066  -6.275   3.214
    5    HB2  MET   1           HB2      MET   1  21.628  -7.450   5.296
    6    HB3  MET   1           HB1      MET   1  21.225  -6.023   6.233
    7    HG2  MET   1           HG2      MET   1  19.482  -7.728   6.367
    8    HG3  MET   1           HG1      MET   1  18.885  -6.253   5.609
    9    HE1  MET   1           HE1      MET   1  16.843  -9.072   3.806
   10    HE2  MET   1           HE2      MET   1  16.765  -7.613   4.790
   11    HE3  MET   1           HE3      MET   1  17.384  -9.109   5.483
   12    H    ALA   2           HN       ALA   2  19.681  -4.957   2.262
   13    HA   ALA   2           HA       ALA   2  19.077  -2.373   3.395
   14    HB1  ALA   2           HB1      ALA   2  17.843  -2.017   1.328
   15    HB2  ALA   2           HB2      ALA   2  18.068  -3.709   0.886
   16    HB3  ALA   2           HB3      ALA   2  19.461  -2.627   0.979
   17    H    THR   3           HN       THR   3  17.128  -1.760   4.230
   18    HA   THR   3           HA       THR   3  15.438  -3.865   5.211
   19    HB   THR   3           HB       THR   3  14.232  -1.866   6.259
   20    HG1  THR   3           HG1      THR   3  14.866  -0.272   4.870
   21   HG21  THR   3          HG21      THR   3  16.010  -1.466   7.911
   22   HG22  THR   3          HG22      THR   3  17.195  -2.159   6.806
   23   HG23  THR   3          HG23      THR   3  15.928  -3.178   7.488
   24    H    LEU   4           HN       LEU   4  14.927  -4.418   2.933
   25    HA   LEU   4           HA       LEU   4  13.226  -2.624   1.469
   26    HB2  LEU   4           HB2      LEU   4  14.923  -4.121   0.393
   27    HB3  LEU   4           HB1      LEU   4  13.930  -5.486   0.847
   28    HG   LEU   4           HG       LEU   4  12.085  -4.544  -0.546
   29   HD11  LEU   4          HD11      LEU   4  14.214  -2.600  -1.465
   30   HD12  LEU   4          HD12      LEU   4  12.762  -2.204  -0.551
   31   HD13  LEU   4          HD13      LEU   4  12.621  -2.821  -2.192
   32   HD21  LEU   4          HD21      LEU   4  13.084  -5.193  -2.692
   33   HD22  LEU   4          HD22      LEU   4  13.533  -6.303  -1.396
   34   HD23  LEU   4          HD23      LEU   4  14.690  -5.104  -1.967
   35    H    LEU   5           HN       LEU   5  11.183  -2.480   1.792
   36    HA   LEU   5           HA       LEU   5   9.631  -4.097   3.503
   37    HB2  LEU   5           HB2      LEU   5   9.345  -1.635   2.772
   38    HB3  LEU   5           HB1      LEU   5   8.620  -2.263   1.320
   39    HG   LEU   5           HG       LEU   5   7.514  -2.587   4.122
   40   HD11  LEU   5          HD11      LEU   5   6.744  -0.812   1.839
   41   HD12  LEU   5          HD12      LEU   5   7.343  -0.323   3.433
   42   HD13  LEU   5          HD13      LEU   5   5.762  -1.095   3.264
   43   HD21  LEU   5          HD21      LEU   5   5.485  -3.391   3.053
   44   HD22  LEU   5          HD22      LEU   5   6.843  -4.448   2.654
   45   HD23  LEU   5          HD23      LEU   5   6.253  -3.280   1.469
   46    H    THR   6           HN       THR   6   8.979  -6.124   3.013
   47    HA   THR   6           HA       THR   6   8.611  -6.790   0.219
   48    HB   THR   6           HB       THR   6   8.779  -9.209   1.194
   49    HG1  THR   6           HG1      THR   6   9.053  -9.172   3.300
   50   HG21  THR   6          HG21      THR   6  11.174  -7.361   1.125
   51   HG22  THR   6          HG22      THR   6  10.457  -8.152  -0.278
   52   HG23  THR   6          HG23      THR   6  11.228  -9.118   0.983
   53    H    THR   7           HN       THR   7   7.098  -9.068   0.290
   54    HA   THR   7           HA       THR   7   4.531  -8.126   0.238
   55    HB   THR   7           HB       THR   7   5.059 -11.024   0.670
   56    HG1  THR   7           HG1      THR   7   5.857 -10.539  -1.798
   57   HG21  THR   7          HG21      THR   7   2.883 -10.175  -0.174
   58   HG22  THR   7          HG22      THR   7   3.686 -11.170  -1.393
   59   HG23  THR   7          HG23      THR   7   3.715  -9.417  -1.529
   60    H    ASP   8           HN       ASP   8   6.252  -9.953   2.772
   61    HA   ASP   8           HA       ASP   8   4.098 -10.619   4.402
   62    HB2  ASP   8           HB2      ASP   8   5.746 -10.918   6.232
   63    HB3  ASP   8           HB1      ASP   8   6.259 -11.682   4.735
   64    H    ASP   9           HN       ASP   9   6.081  -7.697   4.472
   65    HA   ASP   9           HA       ASP   9   4.742  -6.688   6.793
   66    HB2  ASP   9           HB2      ASP   9   7.023  -5.990   6.308
   67    HB3  ASP   9           HB1      ASP   9   6.494  -5.223   4.823
   68    H    LEU  10           HN       LEU  10   4.550  -6.080   3.361
   69    HA   LEU  10           HA       LEU  10   2.657  -3.998   3.442
   70    HB2  LEU  10           HB2      LEU  10   3.828  -4.632   1.371
   71    HB3  LEU  10           HB1      LEU  10   2.889  -6.110   1.297
   72    HG   LEU  10           HG       LEU  10   0.824  -4.663   1.196
   73   HD11  LEU  10          HD11      LEU  10   2.831  -2.480   0.688
   74   HD12  LEU  10          HD12      LEU  10   1.720  -2.613   2.049
   75   HD13  LEU  10          HD13      LEU  10   1.087  -2.362   0.421
   76   HD21  LEU  10          HD21      LEU  10   1.679  -5.775  -0.786
   77   HD22  LEU  10          HD22      LEU  10   2.817  -4.462  -1.067
   78   HD23  LEU  10          HD23      LEU  10   1.084  -4.173  -1.209
   79    H    ARG  11           HN       ARG  11   2.187  -7.494   3.409
   80    HA   ARG  11           HA       ARG  11  -0.569  -7.606   3.196
   81    HB2  ARG  11           HB2      ARG  11   0.747  -9.599   2.993
   82    HB3  ARG  11           HB1      ARG  11   1.374  -9.422   4.624
   83    HG2  ARG  11           HG2      ARG  11  -0.794  -9.967   5.549
   84    HG3  ARG  11           HG1      ARG  11  -1.504 -10.003   3.934
   85    HD2  ARG  11           HD2      ARG  11  -0.269 -11.922   3.326
   86    HD3  ARG  11           HD1      ARG  11   0.782 -11.786   4.734
   87    HE   ARG  11           HE       ARG  11  -1.502 -12.120   5.934
   88   HH11  ARG  11          HH11      ARG  11  -0.435 -13.824   2.990
   89   HH12  ARG  11          HH12      ARG  11  -1.067 -15.329   3.428
   90   HH21  ARG  11          HH21      ARG  11  -2.401 -14.214   6.531
   91   HH22  ARG  11          HH22      ARG  11  -2.279 -15.542   5.475
   92    H    ARG  12           HN       ARG  12   1.407  -7.078   6.025
   93    HA   ARG  12           HA       ARG  12  -0.827  -7.089   7.853
   94    HB2  ARG  12           HB2      ARG  12   1.934  -5.963   8.288
   95    HB3  ARG  12           HB1      ARG  12   0.769  -6.419   9.525
   96    HG2  ARG  12           HG2      ARG  12   1.001  -8.747   8.920
   97    HG3  ARG  12           HG1      ARG  12   2.084  -8.308   7.596
   98    HD2  ARG  12           HD2      ARG  12   3.560  -7.238   9.313
   99    HD3  ARG  12           HD1      ARG  12   2.554  -8.009  10.541
  100    HE   ARG  12           HE       ARG  12   3.154 -10.146   9.340
  101   HH11  ARG  12          HH11      ARG  12   5.289  -7.376   9.605
  102   HH12  ARG  12          HH12      ARG  12   6.706  -8.221   9.205
  103   HH21  ARG  12          HH21      ARG  12   5.025 -11.353   8.921
  104   HH22  ARG  12          HH22      ARG  12   6.569 -10.603   8.850
  105    H    ALA  13           HN       ALA  13   1.348  -4.715   6.431
  106    HA   ALA  13           HA       ALA  13   0.514  -2.413   7.717
  107    HB1  ALA  13           HB1      ALA  13   1.594  -2.625   4.927
  108    HB2  ALA  13           HB2      ALA  13   2.557  -2.588   6.409
  109    HB3  ALA  13           HB3      ALA  13   1.590  -1.185   5.942
  110    H    LEU  14           HN       LEU  14  -0.695  -3.778   4.686
  111    HA   LEU  14           HA       LEU  14  -2.334  -1.666   3.965
  112    HB2  LEU  14           HB2      LEU  14  -1.667  -3.756   2.659
  113    HB3  LEU  14           HB1      LEU  14  -2.899  -4.604   3.559
  114    HG   LEU  14           HG       LEU  14  -4.616  -3.159   2.591
  115   HD11  LEU  14          HD11      LEU  14  -2.333  -1.987   1.008
  116   HD12  LEU  14          HD12      LEU  14  -3.272  -1.161   2.255
  117   HD13  LEU  14          HD13      LEU  14  -4.048  -1.652   0.755
  118   HD21  LEU  14          HD21      LEU  14  -4.486  -4.014   0.300
  119   HD22  LEU  14          HD22      LEU  14  -4.061  -5.251   1.487
  120   HD23  LEU  14          HD23      LEU  14  -2.794  -4.440   0.564
  121    H    VAL  15           HN       VAL  15  -2.947  -4.471   6.010
  122    HA   VAL  15           HA       VAL  15  -5.666  -4.046   6.616
  123    HB   VAL  15           HB       VAL  15  -3.537  -5.360   8.317
  124   HG11  VAL  15          HG11      VAL  15  -6.544  -5.726   8.316
  125   HG12  VAL  15          HG12      VAL  15  -5.603  -4.918   9.571
  126   HG13  VAL  15          HG13      VAL  15  -5.410  -6.649   9.301
  127   HG21  VAL  15          HG21      VAL  15  -3.579  -6.361   6.130
  128   HG22  VAL  15          HG22      VAL  15  -5.335  -6.554   6.211
  129   HG23  VAL  15          HG23      VAL  15  -4.287  -7.478   7.294
  130    H    GLU  16           HN       GLU  16  -2.710  -3.238   8.403
  131    HA   GLU  16           HA       GLU  16  -3.674  -1.985  10.679
  132    HB2  GLU  16           HB2      GLU  16  -1.336  -0.940   9.084
  133    HB3  GLU  16           HB1      GLU  16  -1.586  -0.807  10.818
  134    HG2  GLU  16           HG2      GLU  16  -1.057  -3.342   9.302
  135    HG3  GLU  16           HG1      GLU  16   0.133  -2.443  10.224
  136    H    SER  17           HN       SER  17  -3.158  -0.643   7.494
  137    HA   SER  17           HA       SER  17  -3.752   2.058   8.222
  138    HB2  SER  17           HB2      SER  17  -3.487   0.826   5.487
  139    HB3  SER  17           HB1      SER  17  -3.337   2.535   5.915
  140    HG   SER  17           HG       SER  17  -1.602   0.385   6.465
  141    H    ALA  18           HN       ALA  18  -5.685  -0.624   7.499
  142    HA   ALA  18           HA       ALA  18  -7.821   0.857   6.238
  143    HB1  ALA  18           HB1      ALA  18  -9.036  -1.258   6.281
  144    HB2  ALA  18           HB2      ALA  18  -7.765  -1.975   7.275
  145    HB3  ALA  18           HB3      ALA  18  -7.415  -1.486   5.621
  146    H    GLY  19           HN       GLY  19  -6.817   0.013   9.412
  147    HA2  GLY  19           HA2      GLY  19  -7.621   1.147  11.299
  148    HA3  GLY  19           HA1      GLY  19  -9.141   1.437  10.460
  149    H    GLU  20           HN       GLU  20 -10.816   0.117  10.850
  150    HA   GLU  20           HA       GLU  20 -10.250  -2.175  12.586
  151    HB2  GLU  20           HB2      GLU  20 -12.472  -1.918  13.539
  152    HB3  GLU  20           HB1      GLU  20 -11.621  -0.390  13.642
  153    HG2  GLU  20           HG2      GLU  20 -13.679  -1.061  11.546
  154    HG3  GLU  20           HG1      GLU  20 -14.031  -0.210  13.048
  155    H    THR  21           HN       THR  21 -10.623  -1.519   9.591
  156    HA   THR  21           HA       THR  21 -12.638  -3.297   8.703
  157    HB   THR  21           HB       THR  21 -10.281  -1.989   7.309
  158    HG1  THR  21           HG1      THR  21 -12.960  -1.295   7.760
  159   HG21  THR  21          HG21      THR  21 -12.766  -3.266   6.104
  160   HG22  THR  21          HG22      THR  21 -11.143  -3.937   6.020
  161   HG23  THR  21          HG23      THR  21 -11.509  -2.417   5.207
  162    H    ASP  22           HN       ASP  22 -12.173  -5.239   9.784
  163    HA   ASP  22           HA       ASP  22  -9.657  -6.553   9.170
  164    HB2  ASP  22           HB2      ASP  22 -11.839  -7.223  11.045
  165    HB3  ASP  22           HB1      ASP  22 -10.489  -8.322  10.798
  166    H    GLY  23           HN       GLY  23 -11.825  -6.102   7.429
  167    HA2  GLY  23           HA2      GLY  23 -12.604  -8.856   6.684
  168    HA3  GLY  23           HA1      GLY  23 -13.383  -7.397   6.055
  169    H    THR  24           HN       THR  24 -10.020  -7.343   6.296
  170    HA   THR  24           HA       THR  24  -9.722  -7.270   3.447
  171    HB   THR  24           HB       THR  24  -7.401  -6.519   4.150
  172    HG1  THR  24           HG1      THR  24  -7.390  -7.491   6.179
  173   HG21  THR  24          HG21      THR  24  -9.737  -5.005   5.329
  174   HG22  THR  24          HG22      THR  24  -9.226  -4.923   3.643
  175   HG23  THR  24          HG23      THR  24  -8.163  -4.325   4.920
  176    H    ASP  25           HN       ASP  25 -10.095  -9.592   3.193
  177    HA   ASP  25           HA       ASP  25  -8.280 -11.456   4.381
  178    HB2  ASP  25           HB2      ASP  25 -10.577 -12.100   3.668
  179    HB3  ASP  25           HB1      ASP  25 -10.096 -11.873   1.990
  180    H    LEU  26           HN       LEU  26  -6.282 -10.876   3.930
  181    HA   LEU  26           HA       LEU  26  -5.397 -10.562   1.155
  182    HB2  LEU  26           HB2      LEU  26  -4.401  -9.647   3.790
  183    HB3  LEU  26           HB1      LEU  26  -3.210  -9.947   2.549
  184    HG   LEU  26           HG       LEU  26  -4.198  -8.247   1.124
  185   HD11  LEU  26          HD11      LEU  26  -6.207  -7.815   3.323
  186   HD12  LEU  26          HD12      LEU  26  -6.543  -8.485   1.733
  187   HD13  LEU  26          HD13      LEU  26  -6.011  -6.808   1.885
  188   HD21  LEU  26          HD21      LEU  26  -2.541  -7.600   2.749
  189   HD22  LEU  26          HD22      LEU  26  -3.812  -7.289   3.936
  190   HD23  LEU  26          HD23      LEU  26  -3.703  -6.305   2.478
  191    H    SER  27           HN       SER  27  -5.915 -13.145   2.712
  192    HA   SER  27           HA       SER  27  -3.344 -14.324   3.010
  193    HB2  SER  27           HB2      SER  27  -6.036 -15.676   2.816
  194    HB3  SER  27           HB1      SER  27  -4.555 -16.335   3.509
  195    HG   SER  27           HG       SER  27  -6.252 -15.326   4.907
  196    H    GLY  28           HN       GLY  28  -2.112 -14.642   1.232
  197    HA2  GLY  28           HA2      GLY  28  -1.673 -16.237  -0.510
  198    HA3  GLY  28           HA1      GLY  28  -3.367 -16.118  -0.962
  199    H    ASP  29           HN       ASP  29  -3.528 -15.226  -2.862
  200    HA   ASP  29           HA       ASP  29  -1.475 -13.374  -3.709
  201    HB2  ASP  29           HB2      ASP  29  -3.694 -14.672  -5.282
  202    HB3  ASP  29           HB1      ASP  29  -2.643 -13.446  -5.965
  203    H    PHE  30           HN       PHE  30  -2.398 -12.008  -1.967
  204    HA   PHE  30           HA       PHE  30  -4.658 -10.357  -2.699
  205    HB2  PHE  30           HB2      PHE  30  -4.139  -9.029  -0.753
  206    HB3  PHE  30           HB1      PHE  30  -3.890 -10.707  -0.305
  207    HD1  PHE  30           HD2      PHE  30  -1.539 -11.592  -0.119
  208    HD2  PHE  30           HD1      PHE  30  -2.341  -7.437  -0.634
  209    HE1  PHE  30           HE2      PHE  30   0.725 -11.059   0.662
  210    HE2  PHE  30           HE1      PHE  30  -0.075  -6.910   0.139
  211    HZ   PHE  30           HZ       PHE  30   1.452  -8.656   0.774
  212    H    LEU  31           HN       LEU  31  -1.371 -10.568  -3.349
  213    HA   LEU  31           HA       LEU  31  -0.622  -7.891  -3.768
  214    HB2  LEU  31           HB2      LEU  31   0.811  -9.974  -3.422
  215    HB3  LEU  31           HB1      LEU  31   0.529 -10.320  -5.113
  216    HG   LEU  31           HG       LEU  31   1.561  -8.104  -5.649
  217   HD11  LEU  31          HD11      LEU  31   2.335  -8.199  -2.739
  218   HD12  LEU  31          HD12      LEU  31   1.261  -7.029  -3.499
  219   HD13  LEU  31          HD13      LEU  31   2.970  -7.071  -3.936
  220   HD21  LEU  31          HD21      LEU  31   3.852  -8.898  -5.338
  221   HD22  LEU  31          HD22      LEU  31   2.790 -10.192  -5.886
  222   HD23  LEU  31          HD23      LEU  31   3.277 -10.115  -4.195
  223    H    ASP  32           HN       ASP  32  -2.304 -10.244  -5.669
  224    HA   ASP  32           HA       ASP  32  -2.219  -8.533  -8.070
  225    HB2  ASP  32           HB2      ASP  32  -2.822 -11.483  -7.852
  226    HB3  ASP  32           HB1      ASP  32  -2.809 -10.541  -9.337
  227    H    LEU  33           HN       LEU  33  -3.987  -8.537  -5.614
  228    HA   LEU  33           HA       LEU  33  -6.569  -8.916  -6.954
  229    HB2  LEU  33           HB2      LEU  33  -6.069  -9.983  -4.685
  230    HB3  LEU  33           HB1      LEU  33  -6.007  -8.360  -4.030
  231    HG   LEU  33           HG       LEU  33  -8.379  -8.049  -4.584
  232   HD11  LEU  33          HD11      LEU  33  -8.235 -10.914  -5.526
  233   HD12  LEU  33          HD12      LEU  33  -8.506  -9.493  -6.544
  234   HD13  LEU  33          HD13      LEU  33  -9.710  -9.965  -5.344
  235   HD21  LEU  33          HD21      LEU  33  -7.772  -8.941  -2.400
  236   HD22  LEU  33          HD22      LEU  33  -7.800 -10.581  -3.040
  237   HD23  LEU  33          HD23      LEU  33  -9.289  -9.643  -2.956
  238    H    ARG  34           HN       ARG  34  -8.148  -6.936  -6.123
  239    HA   ARG  34           HA       ARG  34  -6.514  -4.565  -6.765
  240    HB2  ARG  34           HB2      ARG  34  -9.482  -4.825  -7.123
  241    HB3  ARG  34           HB1      ARG  34  -8.423  -3.594  -7.778
  242    HG2  ARG  34           HG2      ARG  34  -7.382  -5.299  -9.210
  243    HG3  ARG  34           HG1      ARG  34  -8.532  -6.484  -8.577
  244    HD2  ARG  34           HD2      ARG  34 -10.345  -4.874  -9.304
  245    HD3  ARG  34           HD1      ARG  34  -9.088  -4.020 -10.190
  246    HE   ARG  34           HE       ARG  34 -10.200  -6.620 -10.744
  247   HH11  ARG  34          HH11      ARG  34  -7.543  -4.395 -11.505
  248   HH12  ARG  34          HH12      ARG  34  -7.456  -4.817 -13.124
  249   HH21  ARG  34          HH21      ARG  34 -10.093  -7.212 -13.023
  250   HH22  ARG  34          HH22      ARG  34  -8.933  -6.464 -14.019
  251    H    PHE  35           HN       PHE  35  -7.007  -2.623  -5.695
  252    HA   PHE  35           HA       PHE  35  -7.776  -2.851  -2.990
  253    HB2  PHE  35           HB2      PHE  35  -7.585  -0.380  -4.734
  254    HB3  PHE  35           HB1      PHE  35  -7.840  -0.334  -2.990
  255    HD1  PHE  35           HD2      PHE  35  -6.044  -1.257  -1.486
  256    HD2  PHE  35           HD1      PHE  35  -5.440  -0.618  -5.643
  257    HE1  PHE  35           HE2      PHE  35  -3.612  -1.330  -1.141
  258    HE2  PHE  35           HE1      PHE  35  -3.004  -0.694  -5.305
  259    HZ   PHE  35           HZ       PHE  35  -2.092  -1.016  -3.024
  260    H    GLU  36           HN       GLU  36  -9.526  -2.280  -5.859
  261    HA   GLU  36           HA       GLU  36 -11.974  -1.323  -4.927
  262    HB2  GLU  36           HB2      GLU  36 -11.330  -3.113  -7.267
  263    HB3  GLU  36           HB1      GLU  36 -12.887  -2.345  -7.007
  264    HG2  GLU  36           HG2      GLU  36 -11.915  -0.162  -7.247
  265    HG3  GLU  36           HG1      GLU  36 -10.292  -0.849  -7.309
  266    H    ASP  37           HN       ASP  37 -10.623  -4.574  -4.997
  267    HA   ASP  37           HA       ASP  37 -13.125  -5.871  -4.356
  268    HB2  ASP  37           HB2      ASP  37 -10.301  -6.979  -4.355
  269    HB3  ASP  37           HB1      ASP  37 -11.765  -7.929  -4.137
  270    H    ILE  38           HN       ILE  38 -10.119  -5.075  -2.730
  271    HA   ILE  38           HA       ILE  38 -10.991  -6.297  -0.297
  272    HB   ILE  38           HB       ILE  38  -8.806  -5.437   0.657
  273   HG12  ILE  38          HG12      ILE  38  -8.405  -4.650  -2.242
  274   HG13  ILE  38          HG11      ILE  38  -8.465  -3.564  -0.864
  275   HG21  ILE  38          HG21      ILE  38  -9.104  -7.713  -0.165
  276   HG22  ILE  38          HG22      ILE  38  -7.490  -7.115  -0.562
  277   HG23  ILE  38          HG23      ILE  38  -8.736  -7.175  -1.806
  278   HD11  ILE  38          HD11      ILE  38  -6.344  -5.638  -1.375
  279   HD12  ILE  38          HD12      ILE  38  -6.393  -4.527  -0.003
  280   HD13  ILE  38          HD13      ILE  38  -6.188  -3.904  -1.638
  281    H    GLY  39           HN       GLY  39 -12.139  -3.678  -1.456
  282    HA2  GLY  39           HA2      GLY  39 -13.482  -2.081  -0.500
  283    HA3  GLY  39           HA1      GLY  39 -13.137  -2.807   1.055
  284    H    TYR  40           HN       TYR  40 -10.793  -1.364  -1.185
  285    HA   TYR  40           HA       TYR  40 -10.189   0.518   0.959
  286    HB2  TYR  40           HB2      TYR  40  -8.430  -0.629  -1.182
  287    HB3  TYR  40           HB1      TYR  40  -8.016   0.882  -0.385
  288    HD1  TYR  40           HD2      TYR  40  -9.062  -2.567   0.459
  289    HD2  TYR  40           HD1      TYR  40  -6.688   0.780   1.490
  290    HE1  TYR  40           HE2      TYR  40  -8.107  -3.833   2.302
  291    HE2  TYR  40           HE1      TYR  40  -5.717  -0.474   3.354
  292    HH   TYR  40           HH       TYR  40  -6.091  -2.381   4.687
  293    H    ASP  41           HN       ASP  41 -10.909   2.373   0.794
  294    HA   ASP  41           HA       ASP  41 -11.473   3.553  -1.787
  295    HB2  ASP  41           HB2      ASP  41 -11.929   4.555   1.041
  296    HB3  ASP  41           HB1      ASP  41 -12.279   5.502  -0.396
  297    H    SER  42           HN       SER  42 -10.894   6.050  -1.595
  298    HA   SER  42           HA       SER  42  -8.255   6.388  -2.223
  299    HB2  SER  42           HB2      SER  42  -8.818   8.811  -1.823
  300    HB3  SER  42           HB1      SER  42  -9.926   7.930  -2.894
  301    H    LEU  43           HN       LEU  43  -9.841   7.499   0.712
  302    HA   LEU  43           HA       LEU  43  -7.730   8.551   2.118
  303    HB2  LEU  43           HB2      LEU  43 -10.130   7.130   3.257
  304    HB3  LEU  43           HB1      LEU  43  -9.054   8.182   4.161
  305    HG   LEU  43           HG       LEU  43 -10.793   9.041   1.848
  306   HD11  LEU  43          HD11      LEU  43 -12.116   8.471   3.800
  307   HD12  LEU  43          HD12      LEU  43 -12.093  10.220   3.566
  308   HD13  LEU  43          HD13      LEU  43 -11.084   9.477   4.813
  309   HD21  LEU  43          HD21      LEU  43 -10.156  11.311   2.531
  310   HD22  LEU  43          HD22      LEU  43  -8.759  10.365   2.023
  311   HD23  LEU  43          HD23      LEU  43  -9.065  10.631   3.741
  312    H    ALA  44           HN       ALA  44  -8.989   5.249   2.444
  313    HA   ALA  44           HA       ALA  44  -7.193   4.271   4.290
  314    HB1  ALA  44           HB1      ALA  44  -9.198   3.057   3.570
  315    HB2  ALA  44           HB2      ALA  44  -7.757   2.044   3.474
  316    HB3  ALA  44           HB3      ALA  44  -8.442   2.742   2.008
  317    H    LEU  45           HN       LEU  45  -6.824   4.453   0.760
  318    HA   LEU  45           HA       LEU  45  -4.359   3.047   0.798
  319    HB2  LEU  45           HB2      LEU  45  -5.839   3.109  -1.117
  320    HB3  LEU  45           HB1      LEU  45  -5.490   4.810  -1.338
  321    HG   LEU  45           HG       LEU  45  -3.432   4.383  -2.347
  322   HD11  LEU  45          HD11      LEU  45  -3.369   1.699  -0.914
  323   HD12  LEU  45          HD12      LEU  45  -2.484   3.140  -0.388
  324   HD13  LEU  45          HD13      LEU  45  -2.089   2.384  -1.928
  325   HD21  LEU  45          HD21      LEU  45  -4.899   1.895  -2.496
  326   HD22  LEU  45          HD22      LEU  45  -3.657   2.389  -3.674
  327   HD23  LEU  45          HD23      LEU  45  -5.223   3.274  -3.563
  328    H    MET  46           HN       MET  46  -5.215   6.476   0.894
  329    HA   MET  46           HA       MET  46  -2.611   7.624   0.560
  330    HB2  MET  46           HB2      MET  46  -4.630   8.768   2.532
  331    HB3  MET  46           HB1      MET  46  -3.470   9.644   1.550
  332    HG2  MET  46           HG2      MET  46  -4.788   8.879  -0.409
  333    HG3  MET  46           HG1      MET  46  -5.921   8.281   0.811
  334    HE1  MET  46           HE1      MET  46  -6.557  10.507  -1.517
  335    HE2  MET  46           HE2      MET  46  -7.656  11.551  -0.612
  336    HE3  MET  46           HE3      MET  46  -7.779   9.797  -0.462
  337    H    GLU  47           HN       GLU  47  -4.444   6.602   3.285
  338    HA   GLU  47           HA       GLU  47  -2.608   7.014   5.321
  339    HB2  GLU  47           HB2      GLU  47  -5.049   5.677   4.761
  340    HB3  GLU  47           HB1      GLU  47  -4.320   5.118   6.298
  341    HG2  GLU  47           HG2      GLU  47  -4.246   7.770   6.609
  342    HG3  GLU  47           HG1      GLU  47  -5.520   7.694   5.390
  343    H    THR  48           HN       THR  48  -3.261   4.183   3.315
  344    HA   THR  48           HA       THR  48  -1.586   2.299   4.493
  345    HB   THR  48           HB       THR  48  -2.285   2.773   1.587
  346    HG1  THR  48           HG1      THR  48  -4.038   2.287   3.044
  347   HG21  THR  48          HG21      THR  48  -1.698   0.451   1.150
  348   HG22  THR  48          HG22      THR  48  -1.110   0.260   2.814
  349   HG23  THR  48          HG23      THR  48  -0.288   1.354   1.693
  350    H    ALA  49           HN       ALA  49  -0.912   4.555   1.843
  351    HA   ALA  49           HA       ALA  49   1.777   3.998   1.532
  352    HB1  ALA  49           HB1      ALA  49   1.914   6.154   0.368
  353    HB2  ALA  49           HB2      ALA  49   0.336   6.600   1.021
  354    HB3  ALA  49           HB3      ALA  49   0.474   5.251  -0.103
  355    H    ALA  50           HN       ALA  50   0.095   6.368   3.553
  356    HA   ALA  50           HA       ALA  50   2.278   7.779   4.543
  357    HB1  ALA  50           HB1      ALA  50  -0.026   8.552   4.729
  358    HB2  ALA  50           HB2      ALA  50   0.795   8.594   6.293
  359    HB3  ALA  50           HB3      ALA  50  -0.354   7.304   5.927
  360    H    ARG  51           HN       ARG  51   0.784   4.821   5.837
  361    HA   ARG  51           HA       ARG  51   2.328   4.708   8.217
  362    HB2  ARG  51           HB2      ARG  51   0.319   3.288   7.932
  363    HB3  ARG  51           HB1      ARG  51   1.072   2.433   6.608
  364    HG2  ARG  51           HG2      ARG  51   2.155   2.298   9.441
  365    HG3  ARG  51           HG1      ARG  51   0.896   1.215   8.862
  366    HD2  ARG  51           HD2      ARG  51   2.443   0.442   7.073
  367    HD3  ARG  51           HD1      ARG  51   3.689   1.498   7.727
  368    HE   ARG  51           HE       ARG  51   2.971  -0.149   9.816
  369   HH11  ARG  51          HH11      ARG  51   4.337  -0.552   6.577
  370   HH12  ARG  51          HH12      ARG  51   5.057  -2.058   6.877
  371   HH21  ARG  51          HH21      ARG  51   4.073  -2.318  10.260
  372   HH22  ARG  51          HH22      ARG  51   4.891  -3.030   8.933
  373    H    LEU  52           HN       LEU  52   2.937   3.721   4.959
  374    HA   LEU  52           HA       LEU  52   5.339   2.305   5.577
  375    HB2  LEU  52           HB2      LEU  52   4.449   3.374   2.893
  376    HB3  LEU  52           HB1      LEU  52   5.604   2.092   3.186
  377    HG   LEU  52           HG       LEU  52   2.622   1.990   3.646
  378   HD11  LEU  52          HD11      LEU  52   3.218   1.765   1.343
  379   HD12  LEU  52          HD12      LEU  52   2.631   0.236   1.987
  380   HD13  LEU  52          HD13      LEU  52   4.364   0.484   1.738
  381   HD21  LEU  52          HD21      LEU  52   2.979  -0.387   4.254
  382   HD22  LEU  52          HD22      LEU  52   3.609   0.763   5.424
  383   HD23  LEU  52          HD23      LEU  52   4.717  -0.061   4.335
  384    H    GLU  53           HN       GLU  53   4.516   5.505   4.346
  385    HA   GLU  53           HA       GLU  53   7.085   6.487   3.884
  386    HB2  GLU  53           HB2      GLU  53   4.607   7.976   4.756
  387    HB3  GLU  53           HB1      GLU  53   6.094   8.750   4.234
  388    HG2  GLU  53           HG2      GLU  53   5.844   7.675   2.039
  389    HG3  GLU  53           HG1      GLU  53   4.314   6.978   2.583
  390    H    SER  54           HN       SER  54   5.103   6.728   6.802
  391    HA   SER  54           HA       SER  54   6.978   8.246   8.239
  392    HB2  SER  54           HB2      SER  54   5.524   7.585  10.216
  393    HB3  SER  54           HB1      SER  54   4.713   8.416   8.886
  394    HG   SER  54           HG       SER  54   3.704   6.619   8.326
  395    H    ARG  55           HN       ARG  55   6.652   4.802   7.833
  396    HA   ARG  55           HA       ARG  55   8.389   4.284  10.100
  397    HB2  ARG  55           HB2      ARG  55   6.501   2.723   9.502
  398    HB3  ARG  55           HB1      ARG  55   7.420   2.249   8.081
  399    HG2  ARG  55           HG2      ARG  55   9.257   1.485   9.561
  400    HG3  ARG  55           HG1      ARG  55   8.259   1.893  10.957
  401    HD2  ARG  55           HD2      ARG  55   6.528   0.298  10.010
  402    HD3  ARG  55           HD1      ARG  55   7.769  -0.230   8.878
  403    HE   ARG  55           HE       ARG  55   8.541  -0.294  11.651
  404   HH11  ARG  55          HH11      ARG  55   7.522  -2.273   8.886
  405   HH12  ARG  55          HH12      ARG  55   7.490  -3.726   9.756
  406   HH21  ARG  55          HH21      ARG  55   8.578  -2.295  12.810
  407   HH22  ARG  55          HH22      ARG  55   8.081  -3.760  12.064
  408    H    TYR  56           HN       TYR  56   8.582   3.994   6.554
  409    HA   TYR  56           HA       TYR  56  11.333   3.086   6.845
  410    HB2  TYR  56           HB2      TYR  56   9.551   3.089   4.408
  411    HB3  TYR  56           HB1      TYR  56  11.170   2.397   4.495
  412    HD1  TYR  56           HD1      TYR  56  11.589   0.481   6.064
  413    HD2  TYR  56           HD2      TYR  56   7.671   1.879   5.182
  414    HE1  TYR  56           HE1      TYR  56  10.665  -1.665   6.808
  415    HE2  TYR  56           HE2      TYR  56   6.735  -0.263   5.935
  416    HH   TYR  56           HH       TYR  56   8.569  -2.568   7.636
  417    H    GLY  57           HN       GLY  57   9.925   5.990   6.595
  418    HA2  GLY  57           HA2      GLY  57  10.874   8.041   6.298
  419    HA3  GLY  57           HA1      GLY  57  12.394   7.243   5.952
  420    H    VAL  58           HN       VAL  58   9.451   6.664   4.176
  421    HA   VAL  58           HA       VAL  58  10.813   7.765   1.831
  422    HB   VAL  58           HB       VAL  58   9.241   6.470   0.403
  423   HG11  VAL  58          HG11      VAL  58  10.062   4.246   0.854
  424   HG12  VAL  58          HG12      VAL  58  10.601   4.758   2.456
  425   HG13  VAL  58          HG13      VAL  58  11.355   5.436   1.009
  426   HG21  VAL  58          HG21      VAL  58   8.193   5.352   2.999
  427   HG22  VAL  58          HG22      VAL  58   7.807   4.744   1.393
  428   HG23  VAL  58          HG23      VAL  58   7.314   6.372   1.861
  429    H    SER  59           HN       SER  59   9.127   8.585   0.104
  430    HA   SER  59           HA       SER  59   6.818   9.862   1.267
  431    HB2  SER  59           HB2      SER  59   9.060  11.498   0.065
  432    HB3  SER  59           HB1      SER  59   7.460  12.117   0.471
  433    HG   SER  59           HG       SER  59   8.389  10.798   2.536
  434    H    ILE  60           HN       ILE  60   5.271   9.486  -0.057
  435    HA   ILE  60           HA       ILE  60   5.771   9.531  -2.954
  436    HB   ILE  60           HB       ILE  60   3.894   7.668  -1.423
  437   HG12  ILE  60          HG12      ILE  60   5.107   5.845  -2.726
  438   HG13  ILE  60          HG11      ILE  60   6.293   7.065  -3.181
  439   HG21  ILE  60          HG21      ILE  60   4.065   8.012  -4.407
  440   HG22  ILE  60          HG22      ILE  60   2.717   8.454  -3.358
  441   HG23  ILE  60          HG23      ILE  60   3.148   6.755  -3.572
  442   HD11  ILE  60          HD11      ILE  60   5.651   6.131  -0.388
  443   HD12  ILE  60          HD12      ILE  60   6.847   7.354  -0.815
  444   HD13  ILE  60          HD13      ILE  60   7.068   5.684  -1.341
  445    HA   PRO  61           HA       PRO  61   2.770  12.847  -2.680
  446    HB2  PRO  61           HB2      PRO  61   2.198  12.836  -5.411
  447    HB3  PRO  61           HB1      PRO  61   3.486  13.768  -4.642
  448    HG2  PRO  61           HG2      PRO  61   3.632  11.171  -6.094
  449    HG3  PRO  61           HG1      PRO  61   4.796  12.510  -6.054
  450    HD2  PRO  61           HD2      PRO  61   5.165  10.226  -4.671
  451    HD3  PRO  61           HD1      PRO  61   5.728  11.790  -4.058
  452    H    ASP  62           HN       ASP  62   0.641  12.825  -2.367
  453    HA   ASP  62           HA       ASP  62  -0.915  10.596  -1.991
  454    HB2  ASP  62           HB2      ASP  62  -1.923  13.345  -2.772
  455    HB3  ASP  62           HB1      ASP  62  -2.887  12.077  -2.037
  456    H    ASP  63           HN       ASP  63  -0.843  12.634  -4.826
  457    HA   ASP  63           HA       ASP  63  -2.842  11.714  -6.416
  458    HB2  ASP  63           HB2      ASP  63  -0.077  12.587  -7.248
  459    HB3  ASP  63           HB1      ASP  63  -1.451  12.412  -8.332
  460    H    VAL  64           HN       VAL  64   0.345  10.258  -6.019
  461    HA   VAL  64           HA       VAL  64  -0.029   8.528  -8.271
  462    HB   VAL  64           HB       VAL  64   2.190   8.470  -6.198
  463   HG11  VAL  64          HG11      VAL  64   3.496   7.281  -7.907
  464   HG12  VAL  64          HG12      VAL  64   2.079   7.240  -8.954
  465   HG13  VAL  64          HG13      VAL  64   2.068   6.370  -7.424
  466   HG21  VAL  64          HG21      VAL  64   2.089  10.615  -7.311
  467   HG22  VAL  64          HG22      VAL  64   2.077   9.827  -8.889
  468   HG23  VAL  64          HG23      VAL  64   3.503   9.716  -7.856
  469    H    ALA  65           HN       ALA  65  -0.861   8.354  -4.980
  470    HA   ALA  65           HA       ALA  65  -0.762   5.533  -4.674
  471    HB1  ALA  65           HB1      ALA  65  -2.463   7.552  -3.202
  472    HB2  ALA  65           HB2      ALA  65  -0.833   7.064  -2.745
  473    HB3  ALA  65           HB3      ALA  65  -2.151   5.893  -2.696
  474    H    GLY  66           HN       GLY  66  -3.081   7.785  -5.951
  475    HA2  GLY  66           HA2      GLY  66  -5.137   5.731  -6.173
  476    HA3  GLY  66           HA1      GLY  66  -5.305   7.424  -6.615
  477    H    ARG  67           HN       ARG  67  -2.451   6.025  -7.809
  478    HA   ARG  67           HA       ARG  67  -3.666   5.821 -10.462
  479    HB2  ARG  67           HB2      ARG  67  -0.810   6.344  -9.647
  480    HB3  ARG  67           HB1      ARG  67  -1.371   6.183 -11.297
  481    HG2  ARG  67           HG2      ARG  67  -2.263   8.307  -9.352
  482    HG3  ARG  67           HG1      ARG  67  -1.061   8.524 -10.627
  483    HD2  ARG  67           HD2      ARG  67  -2.720   8.109 -12.326
  484    HD3  ARG  67           HD1      ARG  67  -3.928   7.719 -11.104
  485    HE   ARG  67           HE       ARG  67  -3.496  10.119 -10.343
  486   HH11  ARG  67          HH11      ARG  67  -3.425   9.083 -13.759
  487   HH12  ARG  67          HH12      ARG  67  -4.006  10.587 -14.322
  488   HH21  ARG  67          HH21      ARG  67  -4.247  12.246 -11.248
  489   HH22  ARG  67          HH22      ARG  67  -4.437  12.323 -12.953
  490    H    VAL  68           HN       VAL  68  -2.912   3.848  -8.031
  491    HA   VAL  68           HA       VAL  68  -1.809   1.828  -9.814
  492    HB   VAL  68           HB       VAL  68  -1.244   0.449  -7.787
  493   HG11  VAL  68          HG11      VAL  68   0.417   1.895  -8.778
  494   HG12  VAL  68          HG12      VAL  68   0.595   1.816  -7.027
  495   HG13  VAL  68          HG13      VAL  68  -0.138   3.237  -7.779
  496   HG21  VAL  68          HG21      VAL  68  -2.111   2.898  -6.247
  497   HG22  VAL  68          HG22      VAL  68  -1.324   1.463  -5.588
  498   HG23  VAL  68          HG23      VAL  68  -2.952   1.347  -6.264
  499    H    ASP  69           HN       ASP  69  -2.642  -0.514  -8.947
  500    HA   ASP  69           HA       ASP  69  -5.591  -0.380  -8.812
  501    HB2  ASP  69           HB2      ASP  69  -4.943  -0.675 -11.182
  502    HB3  ASP  69           HB1      ASP  69  -3.915  -2.004 -10.725
  503    H    THR  70           HN       THR  70  -2.753  -2.428  -8.803
  504    HA   THR  70           HA       THR  70  -3.999  -4.158  -6.801
  505    HB   THR  70           HB       THR  70  -2.443  -5.882  -7.642
  506    HG1  THR  70           HG1      THR  70  -1.630  -3.818  -9.463
  507   HG21  THR  70          HG21      THR  70  -3.346  -6.083  -9.956
  508   HG22  THR  70          HG22      THR  70  -3.933  -4.408  -9.821
  509   HG23  THR  70          HG23      THR  70  -4.593  -5.658  -8.778
  510    HA   PRO  71           HA       PRO  71  -1.073  -2.832  -3.725
  511    HB2  PRO  71           HB2      PRO  71  -0.664  -5.720  -3.115
  512    HB3  PRO  71           HB1      PRO  71  -1.122  -4.391  -2.040
  513    HG2  PRO  71           HG2      PRO  71  -2.946  -6.129  -2.817
  514    HG3  PRO  71           HG1      PRO  71  -3.332  -4.396  -2.756
  515    HD2  PRO  71           HD2      PRO  71  -2.647  -6.106  -5.121
  516    HD3  PRO  71           HD1      PRO  71  -3.914  -4.875  -4.952
  517    H    ARG  72           HN       ARG  72  -0.069  -5.330  -6.017
  518    HA   ARG  72           HA       ARG  72   2.664  -5.214  -5.267
  519    HB2  ARG  72           HB2      ARG  72   3.201  -6.419  -7.312
  520    HB3  ARG  72           HB1      ARG  72   1.825  -7.149  -6.518
  521    HG2  ARG  72           HG2      ARG  72   0.357  -5.981  -8.176
  522    HG3  ARG  72           HG1      ARG  72   1.826  -5.469  -9.015
  523    HD2  ARG  72           HD2      ARG  72   0.970  -8.312  -8.471
  524    HD3  ARG  72           HD1      ARG  72   0.920  -7.489 -10.025
  525    HE   ARG  72           HE       ARG  72   3.484  -7.303  -9.551
  526   HH11  ARG  72          HH11      ARG  72   1.376 -10.136  -8.954
  527   HH12  ARG  72          HH12      ARG  72   2.601 -11.284  -9.134
  528   HH21  ARG  72          HH21      ARG  72   5.185  -8.962  -9.899
  529   HH22  ARG  72          HH22      ARG  72   4.777 -10.615  -9.775
  530    H    GLU  73           HN       GLU  73   0.727  -3.261  -7.340
  531    HA   GLU  73           HA       GLU  73   2.916  -1.919  -8.589
  532    HB2  GLU  73           HB2      GLU  73   0.020  -1.138  -8.257
  533    HB3  GLU  73           HB1      GLU  73   1.175  -0.307  -9.290
  534    HG2  GLU  73           HG2      GLU  73   1.376  -2.171 -10.723
  535    HG3  GLU  73           HG1      GLU  73   0.503  -3.211  -9.600
  536    H    LEU  74           HN       LEU  74   0.815  -1.329  -5.835
  537    HA   LEU  74           HA       LEU  74   1.768   1.220  -5.058
  538    HB2  LEU  74           HB2      LEU  74  -0.298  -0.126  -4.169
  539    HB3  LEU  74           HB1      LEU  74   0.929  -0.945  -3.201
  540    HG   LEU  74           HG       LEU  74  -0.428   0.908  -1.975
  541   HD11  LEU  74          HD11      LEU  74   1.430   1.707  -0.713
  542   HD12  LEU  74          HD12      LEU  74   2.533   1.134  -1.972
  543   HD13  LEU  74          HD13      LEU  74   1.573  -0.024  -1.049
  544   HD21  LEU  74          HD21      LEU  74   0.350   3.185  -2.308
  545   HD22  LEU  74          HD22      LEU  74  -0.396   2.558  -3.776
  546   HD23  LEU  74          HD23      LEU  74   1.360   2.661  -3.655
  547    H    LEU  75           HN       LEU  75   2.602  -2.046  -4.027
  548    HA   LEU  75           HA       LEU  75   4.576  -1.502  -2.185
  549    HB2  LEU  75           HB2      LEU  75   3.494  -3.609  -2.414
  550    HB3  LEU  75           HB1      LEU  75   4.104  -3.806  -4.040
  551    HG   LEU  75           HG       LEU  75   6.351  -3.795  -3.104
  552   HD11  LEU  75          HD11      LEU  75   5.956  -2.796  -0.941
  553   HD12  LEU  75          HD12      LEU  75   6.604  -4.423  -0.697
  554   HD13  LEU  75          HD13      LEU  75   4.879  -4.119  -0.488
  555   HD21  LEU  75          HD21      LEU  75   6.222  -6.173  -2.417
  556   HD22  LEU  75          HD22      LEU  75   5.265  -5.762  -3.856
  557   HD23  LEU  75          HD23      LEU  75   4.463  -5.978  -2.306
  558    H    ASP  76           HN       ASP  76   4.729  -1.924  -5.680
  559    HA   ASP  76           HA       ASP  76   7.543  -2.033  -5.924
  560    HB2  ASP  76           HB2      ASP  76   5.916  -2.772  -7.683
  561    HB3  ASP  76           HB1      ASP  76   5.545  -1.079  -7.972
  562    H    LEU  77           HN       LEU  77   5.185   0.579  -6.056
  563    HA   LEU  77           HA       LEU  77   6.867   2.722  -6.693
  564    HB2  LEU  77           HB2      LEU  77   4.481   2.656  -4.859
  565    HB3  LEU  77           HB1      LEU  77   5.220   4.113  -5.467
  566    HG   LEU  77           HG       LEU  77   3.802   2.018  -7.096
  567   HD11  LEU  77          HD11      LEU  77   2.098   3.731  -7.389
  568   HD12  LEU  77          HD12      LEU  77   3.020   4.837  -6.368
  569   HD13  LEU  77          HD13      LEU  77   2.327   3.364  -5.677
  570   HD21  LEU  77          HD21      LEU  77   5.603   3.072  -8.361
  571   HD22  LEU  77          HD22      LEU  77   4.999   4.665  -7.914
  572   HD23  LEU  77          HD23      LEU  77   4.031   3.614  -8.951
  573    H    ILE  78           HN       ILE  78   5.908   1.370  -3.597
  574    HA   ILE  78           HA       ILE  78   7.379   3.066  -1.884
  575    HB   ILE  78           HB       ILE  78   6.640   0.162  -1.446
  576   HG12  ILE  78          HG12      ILE  78   4.659   1.483  -1.980
  577   HG13  ILE  78          HG11      ILE  78   4.648   1.021  -0.286
  578   HG21  ILE  78          HG21      ILE  78   7.308   2.334   0.546
  579   HG22  ILE  78          HG22      ILE  78   8.314   0.946   0.143
  580   HG23  ILE  78          HG23      ILE  78   6.759   0.704   0.949
  581   HD11  ILE  78          HD11      ILE  78   5.386   3.273   0.328
  582   HD12  ILE  78          HD12      ILE  78   3.884   3.309  -0.590
  583   HD13  ILE  78          HD13      ILE  78   5.410   3.729  -1.373
  584    H    ASN  79           HN       ASN  79   8.175  -0.121  -3.217
  585    HA   ASN  79           HA       ASN  79  10.722  -0.350  -2.104
  586    HB2  ASN  79           HB2      ASN  79   9.676  -1.474  -4.710
  587    HB3  ASN  79           HB1      ASN  79  11.246  -1.893  -4.038
  588   HD21  ASN  79          HD21      ASN  79  10.217  -1.879  -1.271
  589   HD22  ASN  79          HD22      ASN  79   9.307  -3.341  -1.119
  590    H    GLY  80           HN       GLY  80   9.797   1.100  -5.217
  591    HA2  GLY  80           HA2      GLY  80  12.388   1.822  -6.033
  592    HA3  GLY  80           HA1      GLY  80  10.899   2.596  -6.557
  593    H    ALA  81           HN       ALA  81   9.943   3.650  -4.233
  594    HA   ALA  81           HA       ALA  81  11.488   6.005  -3.961
  595    HB1  ALA  81           HB1      ALA  81   9.057   5.981  -3.747
  596    HB2  ALA  81           HB2      ALA  81   9.817   6.678  -2.317
  597    HB3  ALA  81           HB3      ALA  81   9.189   5.027  -2.269
  598    H    LEU  82           HN       LEU  82  11.336   3.047  -2.124
  599    HA   LEU  82           HA       LEU  82  12.592   3.974   0.212
  600    HB2  LEU  82           HB2      LEU  82  11.152   2.057   0.197
  601    HB3  LEU  82           HB1      LEU  82  12.176   1.230  -0.959
  602    HG   LEU  82           HG       LEU  82  13.927   1.131   0.701
  603   HD11  LEU  82          HD11      LEU  82  13.372   1.585   3.094
  604   HD12  LEU  82          HD12      LEU  82  11.822   2.249   2.576
  605   HD13  LEU  82          HD13      LEU  82  13.325   3.043   2.101
  606   HD21  LEU  82          HD21      LEU  82  11.288  -0.058   1.521
  607   HD22  LEU  82          HD22      LEU  82  12.862  -0.602   2.100
  608   HD23  LEU  82          HD23      LEU  82  12.455  -0.741   0.391
  609    H    ALA  83           HN       ALA  83  13.699   2.654  -2.841
  610    HA   ALA  83           HA       ALA  83  16.357   2.168  -2.089
  611    HB1  ALA  83           HB1      ALA  83  16.859   2.202  -4.495
  612    HB2  ALA  83           HB2      ALA  83  15.274   2.908  -4.815
  613    HB3  ALA  83           HB3      ALA  83  15.397   1.274  -4.153
  614    H    GLU  84           HN       GLU  84  14.613   5.061  -2.963
  615    HA   GLU  84           HA       GLU  84  16.852   6.812  -3.234
  616    HB2  GLU  84           HB2      GLU  84  13.900   7.199  -2.803
  617    HB3  GLU  84           HB1      GLU  84  15.026   8.519  -3.023
  618    HG2  GLU  84           HG2      GLU  84  14.561   6.336  -5.032
  619    HG3  GLU  84           HG1      GLU  84  13.713   7.877  -5.038
  620    H    ALA  85           HN       ALA  85  14.453   6.037  -0.754
  621    HA   ALA  85           HA       ALA  85  15.192   8.003   1.108
  622    HB1  ALA  85           HB1      ALA  85  13.800   6.816   2.680
  623    HB2  ALA  85           HB2      ALA  85  13.766   5.405   1.621
  624    HB3  ALA  85           HB3      ALA  85  13.013   6.916   1.104
  625    H    ALA  86           HN       ALA  86  16.109   4.554   0.956
  626    HA   ALA  86           HA       ALA  86  17.888   5.044   3.222
  627    HB1  ALA  86           HB1      ALA  86  17.946   2.606   3.466
  628    HB2  ALA  86           HB2      ALA  86  16.934   2.439   2.034
  629    HB3  ALA  86           HB3      ALA  86  16.286   3.209   3.480
  630   H28A  SDO 101          H28A      SDO  42 -11.900  11.135   0.116
  631   H28B  SDO 101          H28B      SDO  42 -10.235  10.677  -0.263
  632   H30A  SDO 101          H30A      SDO  42 -10.107  14.332  -0.010
  633   H30B  SDO 101          H30B      SDO  42  -9.505  12.806   0.644
  634   H30C  SDO 101          H30C      SDO  42 -11.167  13.302   0.949
  635   H31A  SDO 101          H31A      SDO  42  -9.430  13.625  -2.333
  636   H31B  SDO 101          H31B      SDO  42  -9.940  12.045  -2.932
  637   H31C  SDO 101          H31C      SDO  42  -8.796  12.155  -1.596
  638   H32A  SDO 101          H32A      SDO  42 -12.472  12.684  -2.464
  639   H33A  SDO 101          H33A      SDO  42 -11.597  15.187  -1.481
  640   H36A  SDO 101          H36A      SDO  42 -13.765  15.106  -1.551
  641   H37A  SDO 101          H37A      SDO  42 -16.048  14.866  -0.567
  642   H37B  SDO 101          H37B      SDO  42 -15.264  14.115   0.825
  643   H38A  SDO 101          H38A      SDO  42 -14.876  16.986  -0.065
  644   H38B  SDO 101          H38B      SDO  42 -15.974  16.459   1.186
  645   H41A  SDO 101          H41A      SDO  42 -13.625  14.374   1.719
  646   H42A  SDO 101          H42A      SDO  42 -11.344  15.412   2.573
  647   H42B  SDO 101          H42B      SDO  42 -12.436  15.851   3.890
  648   H43A  SDO 101          H43A      SDO  42 -12.002  13.103   2.804
  649   H43B  SDO 101          H43B      SDO  42 -12.903  13.492   4.264
  650    H1A  SDO 101           H1A      SDO  42  -9.279  15.033   5.924
  651    H1B  SDO 101           H1B      SDO  42  -8.464  14.542   4.459
  652    H2A  SDO 101           H2A      SDO  42 -10.735  16.485   4.586
  653    H2B  SDO 101           H2B      SDO  42  -9.840  16.035   3.164
  654    H4A  SDO 101           H4A      SDO  42  -7.511  18.298   5.908
  655    H4B  SDO 101           H4B      SDO  42  -6.654  17.786   4.482
  656    H5A  SDO 101           H5A      SDO  42  -6.806  15.453   5.174
  657    H5B  SDO 101           H5B      SDO  42  -7.628  15.970   6.649
  658    H6A  SDO 101           H6A      SDO  42  -5.701  17.272   7.311
  659    H6B  SDO 101           H6B      SDO  42  -4.867  16.843   5.820
  660    H8A  SDO 101           H8A      SDO  42  -6.271  13.888   6.258
  661    H8B  SDO 101           H8B      SDO  42  -6.452  13.925   8.020
  662    H8C  SDO 101           H8C      SDO  42  -5.053  13.127   7.293
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  20.248  -3.800  -0.542
    2    H2   MET   1           HT2      MET   1  19.235  -5.121  -0.117
    3    H3   MET   1           HT3      MET   1  20.566  -4.751   0.805
    4    HA   MET   1           HA       MET   1  19.738  -2.839   1.676
    5    HB2  MET   1           HB2      MET   1  17.325  -3.264  -0.110
    6    HB3  MET   1           HB1      MET   1  17.459  -2.031   1.129
    7    HG2  MET   1           HG2      MET   1  19.342  -1.031  -0.094
    8    HG3  MET   1           HG1      MET   1  19.159  -2.263  -1.335
    9    HE1  MET   1           HE1      MET   1  17.606   0.915   0.352
   10    HE2  MET   1           HE2      MET   1  16.364  -0.298   0.653
   11    HE3  MET   1           HE3      MET   1  16.046   1.035  -0.458
   12    H    ALA   2           HN       ALA   2  19.580  -3.681   3.601
   13    HA   ALA   2           HA       ALA   2  18.252  -6.147   4.115
   14    HB1  ALA   2           HB1      ALA   2  20.193  -5.405   5.422
   15    HB2  ALA   2           HB2      ALA   2  18.812  -5.780   6.456
   16    HB3  ALA   2           HB3      ALA   2  19.223  -4.100   6.111
   17    H    THR   3           HN       THR   3  17.415  -2.782   4.733
   18    HA   THR   3           HA       THR   3  14.826  -3.639   5.698
   19    HB   THR   3           HB       THR   3  14.522  -1.104   6.071
   20    HG1  THR   3           HG1      THR   3  16.105   0.168   5.571
   21   HG21  THR   3          HG21      THR   3  14.988  -2.680   7.889
   22   HG22  THR   3          HG22      THR   3  15.837  -1.150   8.149
   23   HG23  THR   3          HG23      THR   3  16.715  -2.561   7.551
   24    H    LEU   4           HN       LEU   4  14.217  -4.497   3.633
   25    HA   LEU   4           HA       LEU   4  13.312  -2.450   1.733
   26    HB2  LEU   4           HB2      LEU   4  14.901  -4.328   0.960
   27    HB3  LEU   4           HB1      LEU   4  13.585  -5.437   1.279
   28    HG   LEU   4           HG       LEU   4  12.259  -4.114  -0.404
   29   HD11  LEU   4          HD11      LEU   4  14.984  -2.942  -0.966
   30   HD12  LEU   4          HD12      LEU   4  13.571  -2.074  -0.364
   31   HD13  LEU   4          HD13      LEU   4  13.557  -2.761  -1.988
   32   HD21  LEU   4          HD21      LEU   4  14.786  -5.484  -1.328
   33   HD22  LEU   4          HD22      LEU   4  13.351  -5.199  -2.314
   34   HD23  LEU   4          HD23      LEU   4  13.262  -6.277  -0.919
   35    H    LEU   5           HN       LEU   5  11.041  -2.614   1.177
   36    HA   LEU   5           HA       LEU   5   9.481  -3.821   3.309
   37    HB2  LEU   5           HB2      LEU   5   9.180  -1.461   2.223
   38    HB3  LEU   5           HB1      LEU   5   8.437  -2.320   0.907
   39    HG   LEU   5           HG       LEU   5   7.354  -2.461   3.731
   40   HD11  LEU   5          HD11      LEU   5   7.337  -0.161   2.990
   41   HD12  LEU   5          HD12      LEU   5   5.699  -0.828   3.008
   42   HD13  LEU   5          HD13      LEU   5   6.563  -0.639   1.482
   43   HD21  LEU   5          HD21      LEU   5   5.306  -3.141   2.640
   44   HD22  LEU   5          HD22      LEU   5   6.623  -4.234   2.200
   45   HD23  LEU   5          HD23      LEU   5   6.084  -3.001   1.065
   46    H    THR   6           HN       THR   6   8.567  -5.819   3.098
   47    HA   THR   6           HA       THR   6   8.681  -7.010   0.435
   48    HB   THR   6           HB       THR   6   8.430  -9.191   1.570
   49    HG1  THR   6           HG1      THR   6   8.434  -7.612   3.957
   50   HG21  THR   6          HG21      THR   6  10.614  -7.474   2.779
   51   HG22  THR   6          HG22      THR   6  10.698  -8.297   1.223
   52   HG23  THR   6          HG23      THR   6  10.615  -9.233   2.714
   53    H    THR   7           HN       THR   7   6.843  -8.915   0.343
   54    HA   THR   7           HA       THR   7   4.393  -7.642   0.038
   55    HB   THR   7           HB       THR   7   3.883 -10.295   0.031
   56    HG1  THR   7           HG1      THR   7   5.935 -11.192  -0.856
   57   HG21  THR   7          HG21      THR   7   5.338  -8.752  -2.151
   58   HG22  THR   7          HG22      THR   7   3.598  -8.754  -1.876
   59   HG23  THR   7          HG23      THR   7   4.399 -10.228  -2.387
   60    H    ASP   8           HN       ASP   8   5.821  -9.729   2.472
   61    HA   ASP   8           HA       ASP   8   3.501 -10.192   4.008
   62    HB2  ASP   8           HB2      ASP   8   5.484 -11.588   4.230
   63    HB3  ASP   8           HB1      ASP   8   6.404 -10.234   4.864
   64    H    ASP   9           HN       ASP   9   5.956  -7.667   4.150
   65    HA   ASP   9           HA       ASP   9   5.086  -6.372   6.516
   66    HB2  ASP   9           HB2      ASP   9   6.373  -5.104   4.073
   67    HB3  ASP   9           HB1      ASP   9   6.119  -4.296   5.607
   68    H    LEU  10           HN       LEU  10   4.259  -5.836   3.131
   69    HA   LEU  10           HA       LEU  10   2.403  -3.777   3.680
   70    HB2  LEU  10           HB2      LEU  10   3.419  -4.034   1.470
   71    HB3  LEU  10           HB1      LEU  10   2.601  -5.570   1.266
   72    HG   LEU  10           HG       LEU  10   0.420  -4.386   1.306
   73   HD11  LEU  10          HD11      LEU  10   2.091  -1.884   1.344
   74   HD12  LEU  10          HD12      LEU  10   1.043  -2.458   2.635
   75   HD13  LEU  10          HD13      LEU  10   0.349  -1.962   1.093
   76   HD21  LEU  10          HD21      LEU  10   1.522  -4.894  -0.807
   77   HD22  LEU  10          HD22      LEU  10   2.394  -3.365  -0.727
   78   HD23  LEU  10          HD23      LEU  10   0.639  -3.372  -0.901
   79    H    ARG  11           HN       ARG  11   2.092  -7.262   3.337
   80    HA   ARG  11           HA       ARG  11  -0.688  -7.474   3.369
   81    HB2  ARG  11           HB2      ARG  11   0.841  -9.374   2.898
   82    HB3  ARG  11           HB1      ARG  11   1.329  -9.386   4.590
   83    HG2  ARG  11           HG2      ARG  11  -0.970  -9.947   5.237
   84    HG3  ARG  11           HG1      ARG  11  -1.442  -9.942   3.541
   85    HD2  ARG  11           HD2      ARG  11  -1.084 -12.213   4.305
   86    HD3  ARG  11           HD1      ARG  11   0.138 -11.773   3.114
   87    HE   ARG  11           HE       ARG  11   1.558 -11.308   5.175
   88   HH11  ARG  11          HH11      ARG  11  -0.890 -13.891   5.036
   89   HH12  ARG  11          HH12      ARG  11  -0.080 -14.885   6.141
   90   HH21  ARG  11          HH21      ARG  11   2.694 -12.727   6.610
   91   HH22  ARG  11          HH22      ARG  11   2.000 -14.246   7.015
   92    H    ARG  12           HN       ARG  12   1.586  -6.960   5.939
   93    HA   ARG  12           HA       ARG  12  -0.288  -7.325   8.064
   94    HB2  ARG  12           HB2      ARG  12   2.361  -5.867   7.996
   95    HB3  ARG  12           HB1      ARG  12   1.431  -6.193   9.451
   96    HG2  ARG  12           HG2      ARG  12   1.689  -8.567   9.132
   97    HG3  ARG  12           HG1      ARG  12   2.549  -8.285   7.613
   98    HD2  ARG  12           HD2      ARG  12   4.122  -8.763   9.371
   99    HD3  ARG  12           HD1      ARG  12   4.296  -7.093   8.852
  100    HE   ARG  12           HE       ARG  12   2.585  -6.979  10.984
  101   HH11  ARG  12          HH11      ARG  12   5.901  -8.175  10.473
  102   HH12  ARG  12          HH12      ARG  12   6.384  -7.919  12.078
  103   HH21  ARG  12          HH21      ARG  12   3.261  -6.726  13.264
  104   HH22  ARG  12          HH22      ARG  12   4.852  -7.171  13.690
  105    H    ALA  13           HN       ALA  13   1.180  -4.454   6.618
  106    HA   ALA  13           HA       ALA  13  -0.271  -2.595   8.142
  107    HB1  ALA  13           HB1      ALA  13   0.557  -0.910   6.624
  108    HB2  ALA  13           HB2      ALA  13   1.001  -2.152   5.451
  109    HB3  ALA  13           HB3      ALA  13   1.830  -2.063   7.003
  110    H    LEU  14           HN       LEU  14  -0.941  -3.911   4.908
  111    HA   LEU  14           HA       LEU  14  -3.114  -2.229   4.370
  112    HB2  LEU  14           HB2      LEU  14  -1.822  -3.548   2.699
  113    HB3  LEU  14           HB1      LEU  14  -2.595  -5.001   3.298
  114    HG   LEU  14           HG       LEU  14  -4.763  -4.184   2.528
  115   HD11  LEU  14          HD11      LEU  14  -4.891  -2.171   1.127
  116   HD12  LEU  14          HD12      LEU  14  -3.192  -1.821   1.489
  117   HD13  LEU  14          HD13      LEU  14  -4.390  -1.788   2.771
  118   HD21  LEU  14          HD21      LEU  14  -2.609  -4.077   0.423
  119   HD22  LEU  14          HD22      LEU  14  -4.329  -4.313   0.115
  120   HD23  LEU  14          HD23      LEU  14  -3.421  -5.528   1.014
  121    H    VAL  15           HN       VAL  15  -2.867  -4.944   6.443
  122    HA   VAL  15           HA       VAL  15  -5.747  -5.273   6.628
  123    HB   VAL  15           HB       VAL  15  -3.486  -6.459   8.274
  124   HG11  VAL  15          HG11      VAL  15  -5.184  -7.944   9.270
  125   HG12  VAL  15          HG12      VAL  15  -6.454  -7.102   8.374
  126   HG13  VAL  15          HG13      VAL  15  -5.551  -6.252   9.633
  127   HG21  VAL  15          HG21      VAL  15  -5.318  -7.658   6.201
  128   HG22  VAL  15          HG22      VAL  15  -4.136  -8.556   7.160
  129   HG23  VAL  15          HG23      VAL  15  -3.594  -7.329   6.023
  130    H    GLU  16           HN       GLU  16  -3.096  -4.020   8.653
  131    HA   GLU  16           HA       GLU  16  -4.521  -3.226  10.887
  132    HB2  GLU  16           HB2      GLU  16  -2.066  -1.924   9.709
  133    HB3  GLU  16           HB1      GLU  16  -2.652  -1.705  11.356
  134    HG2  GLU  16           HG2      GLU  16  -2.373  -4.124  11.713
  135    HG3  GLU  16           HG1      GLU  16  -1.715  -4.257  10.103
  136    H    SER  17           HN       SER  17  -4.006  -1.419   7.882
  137    HA   SER  17           HA       SER  17  -5.229   0.912   8.995
  138    HB2  SER  17           HB2      SER  17  -4.230   0.360   6.203
  139    HB3  SER  17           HB1      SER  17  -4.760   1.932   6.816
  140    HG   SER  17           HG       SER  17  -3.142   1.291   8.601
  141    H    ALA  18           HN       ALA  18  -6.740  -1.776   8.211
  142    HA   ALA  18           HA       ALA  18  -8.912  -0.606   6.704
  143    HB1  ALA  18           HB1      ALA  18 -10.014  -2.806   7.045
  144    HB2  ALA  18           HB2      ALA  18  -8.674  -3.298   8.088
  145    HB3  ALA  18           HB3      ALA  18  -8.393  -2.985   6.376
  146    H    GLY  19           HN       GLY  19 -10.093   0.837   7.741
  147    HA2  GLY  19           HA2      GLY  19 -10.515   0.575  10.620
  148    HA3  GLY  19           HA1      GLY  19 -10.829   2.013   9.656
  149    H    GLU  20           HN       GLU  20 -12.600   1.666   7.921
  150    HA   GLU  20           HA       GLU  20 -14.630  -0.014   9.096
  151    HB2  GLU  20           HB2      GLU  20 -16.370   1.693   8.493
  152    HB3  GLU  20           HB1      GLU  20 -15.317   2.128   9.824
  153    HG2  GLU  20           HG2      GLU  20 -14.103   3.661   8.428
  154    HG3  GLU  20           HG1      GLU  20 -14.999   3.124   7.004
  155    H    THR  21           HN       THR  21 -14.476  -1.575   7.822
  156    HA   THR  21           HA       THR  21 -15.839  -1.665   5.452
  157    HB   THR  21           HB       THR  21 -13.747  -0.503   4.572
  158    HG1  THR  21           HG1      THR  21 -13.250  -2.137   2.944
  159   HG21  THR  21          HG21      THR  21 -12.093  -1.411   6.122
  160   HG22  THR  21          HG22      THR  21 -11.619  -1.773   4.457
  161   HG23  THR  21          HG23      THR  21 -12.337  -3.028   5.462
  162    H    ASP  22           HN       ASP  22 -14.758  -4.054   4.546
  163    HA   ASP  22           HA       ASP  22 -14.615  -5.540   7.060
  164    HB2  ASP  22           HB2      ASP  22 -16.636  -6.070   5.850
  165    HB3  ASP  22           HB1      ASP  22 -15.718  -6.580   4.431
  166    H    GLY  23           HN       GLY  23 -12.811  -6.225   7.446
  167    HA2  GLY  23           HA2      GLY  23 -10.720  -6.015   5.696
  168    HA3  GLY  23           HA1      GLY  23 -10.615  -6.949   7.206
  169    H    THR  24           HN       THR  24 -10.010  -7.187   4.070
  170    HA   THR  24           HA       THR  24 -11.383  -9.573   3.406
  171    HB   THR  24           HB       THR  24  -9.754  -9.316   1.392
  172    HG1  THR  24           HG1      THR  24  -9.310  -6.861   1.386
  173   HG21  THR  24          HG21      THR  24 -11.830  -7.197   2.012
  174   HG22  THR  24          HG22      THR  24 -12.160  -8.783   1.308
  175   HG23  THR  24          HG23      THR  24 -11.218  -7.593   0.403
  176    H    ASP  25           HN       ASP  25  -9.550 -11.072   2.084
  177    HA   ASP  25           HA       ASP  25  -7.701 -11.890   4.207
  178    HB2  ASP  25           HB2      ASP  25  -9.374 -13.608   3.573
  179    HB3  ASP  25           HB1      ASP  25  -8.781 -13.557   1.915
  180    H    LEU  26           HN       LEU  26  -5.650 -11.693   3.800
  181    HA   LEU  26           HA       LEU  26  -4.825 -11.117   1.032
  182    HB2  LEU  26           HB2      LEU  26  -3.810 -10.087   3.667
  183    HB3  LEU  26           HB1      LEU  26  -2.845 -10.001   2.211
  184    HG   LEU  26           HG       LEU  26  -4.601  -8.527   1.211
  185   HD11  LEU  26          HD11      LEU  26  -6.521  -9.200   2.553
  186   HD12  LEU  26          HD12      LEU  26  -6.238  -7.468   2.632
  187   HD13  LEU  26          HD13      LEU  26  -5.776  -8.492   3.992
  188   HD21  LEU  26          HD21      LEU  26  -3.991  -6.566   2.531
  189   HD22  LEU  26          HD22      LEU  26  -2.608  -7.612   2.198
  190   HD23  LEU  26          HD23      LEU  26  -3.358  -7.625   3.789
  191    H    SER  27           HN       SER  27  -4.978 -13.765   2.669
  192    HA   SER  27           HA       SER  27  -2.102 -14.232   2.747
  193    HB2  SER  27           HB2      SER  27  -3.546 -14.567   4.833
  194    HB3  SER  27           HB1      SER  27  -4.154 -16.010   4.022
  195    HG   SER  27           HG       SER  27  -2.491 -16.867   4.980
  196    H    GLY  28           HN       GLY  28  -4.700 -14.772   0.941
  197    HA2  GLY  28           HA2      GLY  28  -3.816 -17.309  -0.202
  198    HA3  GLY  28           HA1      GLY  28  -5.180 -16.337  -0.767
  199    H    ASP  29           HN       ASP  29  -4.511 -14.236  -1.440
  200    HA   ASP  29           HA       ASP  29  -1.957 -13.610  -2.444
  201    HB2  ASP  29           HB2      ASP  29  -2.482 -15.184  -4.279
  202    HB3  ASP  29           HB1      ASP  29  -3.988 -14.316  -4.594
  203    H    PHE  30           HN       PHE  30  -1.879 -11.548  -2.341
  204    HA   PHE  30           HA       PHE  30  -4.364 -10.067  -2.802
  205    HB2  PHE  30           HB2      PHE  30  -3.709  -8.453  -1.112
  206    HB3  PHE  30           HB1      PHE  30  -3.635 -10.062  -0.404
  207    HD1  PHE  30           HD2      PHE  30  -1.286 -11.178  -0.475
  208    HD2  PHE  30           HD1      PHE  30  -1.938  -6.994  -0.784
  209    HE1  PHE  30           HE2      PHE  30   1.030 -10.757   0.275
  210    HE2  PHE  30           HE1      PHE  30   0.379  -6.568  -0.037
  211    HZ   PHE  30           HZ       PHE  30   1.836  -8.369   0.481
  212    H    LEU  31           HN       LEU  31  -1.807 -10.911  -4.387
  213    HA   LEU  31           HA       LEU  31  -0.634  -8.359  -4.910
  214    HB2  LEU  31           HB2      LEU  31  -0.027 -11.115  -5.913
  215    HB3  LEU  31           HB1      LEU  31   0.713  -9.687  -6.596
  216    HG   LEU  31           HG       LEU  31   2.275 -10.594  -5.098
  217   HD11  LEU  31          HD11      LEU  31   0.930  -8.265  -3.742
  218   HD12  LEU  31          HD12      LEU  31   2.171  -8.217  -4.989
  219   HD13  LEU  31          HD13      LEU  31   2.553  -8.867  -3.397
  220   HD21  LEU  31          HD21      LEU  31   1.801 -11.082  -2.725
  221   HD22  LEU  31          HD22      LEU  31   0.841 -12.081  -3.818
  222   HD23  LEU  31          HD23      LEU  31   0.098 -10.708  -3.007
  223    H    ASP  32           HN       ASP  32  -2.823 -10.601  -6.475
  224    HA   ASP  32           HA       ASP  32  -3.105  -8.560  -8.586
  225    HB2  ASP  32           HB2      ASP  32  -2.444 -10.896  -9.312
  226    HB3  ASP  32           HB1      ASP  32  -4.010 -11.446  -8.731
  227    H    LEU  33           HN       LEU  33  -4.180  -8.741  -5.898
  228    HA   LEU  33           HA       LEU  33  -7.063  -8.748  -6.394
  229    HB2  LEU  33           HB2      LEU  33  -6.166 -10.124  -4.555
  230    HB3  LEU  33           HB1      LEU  33  -5.436  -8.697  -3.841
  231    HG   LEU  33           HG       LEU  33  -7.684  -7.798  -3.417
  232   HD11  LEU  33          HD11      LEU  33  -8.864  -8.870  -5.266
  233   HD12  LEU  33          HD12      LEU  33  -9.642  -9.241  -3.728
  234   HD13  LEU  33          HD13      LEU  33  -8.605 -10.443  -4.514
  235   HD21  LEU  33          HD21      LEU  33  -6.527  -9.121  -1.728
  236   HD22  LEU  33          HD22      LEU  33  -7.234 -10.597  -2.401
  237   HD23  LEU  33          HD23      LEU  33  -8.273  -9.380  -1.652
  238    H    ARG  34           HN       ARG  34  -7.964  -6.759  -6.613
  239    HA   ARG  34           HA       ARG  34  -6.205  -4.458  -6.657
  240    HB2  ARG  34           HB2      ARG  34  -9.153  -4.687  -7.189
  241    HB3  ARG  34           HB1      ARG  34  -8.229  -3.210  -7.352
  242    HG2  ARG  34           HG2      ARG  34  -6.967  -4.151  -9.161
  243    HG3  ARG  34           HG1      ARG  34  -7.752  -5.722  -8.930
  244    HD2  ARG  34           HD2      ARG  34  -9.164  -3.144  -9.617
  245    HD3  ARG  34           HD1      ARG  34  -8.800  -4.439 -10.765
  246    HE   ARG  34           HE       ARG  34 -10.121  -5.869  -9.176
  247   HH11  ARG  34          HH11      ARG  34 -10.887  -2.388  -9.632
  248   HH12  ARG  34          HH12      ARG  34 -12.532  -2.596  -9.271
  249   HH21  ARG  34          HH21      ARG  34 -12.420  -6.094  -8.693
  250   HH22  ARG  34          HH22      ARG  34 -13.432  -4.724  -8.734
  251    H    PHE  35           HN       PHE  35  -6.358  -2.612  -5.449
  252    HA   PHE  35           HA       PHE  35  -7.220  -2.755  -2.764
  253    HB2  PHE  35           HB2      PHE  35  -6.720  -0.318  -4.492
  254    HB3  PHE  35           HB1      PHE  35  -7.049  -0.241  -2.769
  255    HD1  PHE  35           HD2      PHE  35  -5.425  -1.456  -1.219
  256    HD2  PHE  35           HD1      PHE  35  -4.563  -0.566  -5.288
  257    HE1  PHE  35           HE2      PHE  35  -3.023  -1.660  -0.748
  258    HE2  PHE  35           HE1      PHE  35  -2.163  -0.768  -4.820
  259    HZ   PHE  35           HZ       PHE  35  -1.389  -1.316  -2.551
  260    H    GLU  36           HN       GLU  36  -8.747  -1.712  -5.668
  261    HA   GLU  36           HA       GLU  36 -11.002  -0.378  -4.677
  262    HB2  GLU  36           HB2      GLU  36 -10.850  -2.061  -7.163
  263    HB3  GLU  36           HB1      GLU  36 -11.943  -0.726  -6.848
  264    HG2  GLU  36           HG2      GLU  36  -9.977   0.783  -6.775
  265    HG3  GLU  36           HG1      GLU  36  -8.973  -0.583  -7.273
  266    H    ASP  37           HN       ASP  37 -10.308  -3.751  -5.339
  267    HA   ASP  37           HA       ASP  37 -13.007  -4.673  -5.065
  268    HB2  ASP  37           HB2      ASP  37 -11.280  -5.744  -6.529
  269    HB3  ASP  37           HB1      ASP  37 -10.449  -6.283  -5.074
  270    H    ILE  38           HN       ILE  38 -10.253  -4.218  -3.012
  271    HA   ILE  38           HA       ILE  38 -11.535  -5.732  -0.891
  272    HB   ILE  38           HB       ILE  38  -9.456  -5.444   0.422
  273   HG12  ILE  38          HG12      ILE  38  -8.375  -4.128  -2.081
  274   HG13  ILE  38          HG11      ILE  38  -8.691  -3.309  -0.562
  275   HG21  ILE  38          HG21      ILE  38  -9.020  -6.553  -2.342
  276   HG22  ILE  38          HG22      ILE  38  -9.760  -7.394  -0.971
  277   HG23  ILE  38          HG23      ILE  38  -8.069  -6.895  -0.895
  278   HD11  ILE  38          HD11      ILE  38  -6.971  -4.686   0.522
  279   HD12  ILE  38          HD12      ILE  38  -6.318  -3.763  -0.830
  280   HD13  ILE  38          HD13      ILE  38  -6.646  -5.484  -1.012
  281    H    GLY  39           HN       GLY  39 -12.271  -3.029  -1.944
  282    HA2  GLY  39           HA2      GLY  39 -13.467  -1.294  -1.060
  283    HA3  GLY  39           HA1      GLY  39 -13.342  -2.098   0.490
  284    H    TYR  40           HN       TYR  40 -10.595  -0.910  -1.426
  285    HA   TYR  40           HA       TYR  40 -10.174   0.991   0.730
  286    HB2  TYR  40           HB2      TYR  40  -8.166  -0.342  -1.078
  287    HB3  TYR  40           HB1      TYR  40  -7.825   1.230  -0.395
  288    HD1  TYR  40           HD2      TYR  40  -8.763  -2.227   0.593
  289    HD2  TYR  40           HD1      TYR  40  -7.158   1.521   1.751
  290    HE1  TYR  40           HE2      TYR  40  -8.171  -3.177   2.760
  291    HE2  TYR  40           HE1      TYR  40  -6.557   0.625   3.924
  292    HH   TYR  40           HH       TYR  40  -6.480  -2.606   4.655
  293    H    ASP  41           HN       ASP  41 -10.799   2.853   0.488
  294    HA   ASP  41           HA       ASP  41 -11.155   4.007  -2.145
  295    HB2  ASP  41           HB2      ASP  41 -11.751   5.218   0.579
  296    HB3  ASP  41           HB1      ASP  41 -12.136   5.935  -0.971
  297    H    SER  42           HN       SER  42 -10.668   6.449  -1.984
  298    HA   SER  42           HA       SER  42  -8.021   6.914  -2.419
  299    HB2  SER  42           HB2      SER  42  -9.949   8.282  -3.139
  300    HB3  SER  42           HB1      SER  42 -10.117   8.864  -1.483
  301    H    LEU  43           HN       LEU  43  -9.859   7.877   0.497
  302    HA   LEU  43           HA       LEU  43  -7.671   8.930   1.913
  303    HB2  LEU  43           HB2      LEU  43 -10.305   7.886   2.958
  304    HB3  LEU  43           HB1      LEU  43  -9.137   8.758   3.924
  305    HG   LEU  43           HG       LEU  43 -10.560   9.888   1.515
  306   HD11  LEU  43          HD11      LEU  43 -12.104   9.488   3.361
  307   HD12  LEU  43          HD12      LEU  43 -11.814  11.212   3.154
  308   HD13  LEU  43          HD13      LEU  43 -11.025  10.335   4.465
  309   HD21  LEU  43          HD21      LEU  43  -9.637  12.024   2.277
  310   HD22  LEU  43          HD22      LEU  43  -8.347  10.875   1.918
  311   HD23  LEU  43          HD23      LEU  43  -8.796  11.193   3.589
  312    H    ALA  44           HN       ALA  44  -9.246   5.782   2.167
  313    HA   ALA  44           HA       ALA  44  -7.688   4.680   4.157
  314    HB1  ALA  44           HB1      ALA  44  -8.455   2.531   3.343
  315    HB2  ALA  44           HB2      ALA  44  -8.952   3.270   1.818
  316    HB3  ALA  44           HB3      ALA  44  -9.768   3.712   3.324
  317    H    LEU  45           HN       LEU  45  -6.997   4.965   0.706
  318    HA   LEU  45           HA       LEU  45  -4.761   3.247   0.635
  319    HB2  LEU  45           HB2      LEU  45  -6.077   4.432  -1.308
  320    HB3  LEU  45           HB1      LEU  45  -4.984   5.764  -1.023
  321    HG   LEU  45           HG       LEU  45  -4.084   4.681  -2.865
  322   HD11  LEU  45          HD11      LEU  45  -2.589   3.503  -0.578
  323   HD12  LEU  45          HD12      LEU  45  -2.314   5.084  -1.323
  324   HD13  LEU  45          HD13      LEU  45  -2.013   3.599  -2.240
  325   HD21  LEU  45          HD21      LEU  45  -4.473   2.024  -1.539
  326   HD22  LEU  45          HD22      LEU  45  -3.732   2.356  -3.121
  327   HD23  LEU  45          HD23      LEU  45  -5.445   2.717  -2.858
  328    H    MET  46           HN       MET  46  -5.130   6.728   1.209
  329    HA   MET  46           HA       MET  46  -2.433   7.568   1.439
  330    HB2  MET  46           HB2      MET  46  -4.570   8.628   3.268
  331    HB3  MET  46           HB1      MET  46  -3.224   9.503   2.546
  332    HG2  MET  46           HG2      MET  46  -4.408   9.153   0.350
  333    HG3  MET  46           HG1      MET  46  -5.719   8.519   1.346
  334    HE1  MET  46           HE1      MET  46  -4.231  12.877   1.760
  335    HE2  MET  46           HE2      MET  46  -3.554  11.733   0.603
  336    HE3  MET  46           HE3      MET  46  -3.330  11.473   2.332
  337    H    GLU  47           HN       GLU  47  -4.759   6.671   3.811
  338    HA   GLU  47           HA       GLU  47  -3.400   6.672   6.169
  339    HB2  GLU  47           HB2      GLU  47  -5.585   5.313   4.901
  340    HB3  GLU  47           HB1      GLU  47  -5.224   4.699   6.543
  341    HG2  GLU  47           HG2      GLU  47  -6.111   7.402   5.539
  342    HG3  GLU  47           HG1      GLU  47  -6.985   6.333   6.630
  343    H    THR  48           HN       THR  48  -3.685   3.989   3.860
  344    HA   THR  48           HA       THR  48  -2.154   2.091   5.273
  345    HB   THR  48           HB       THR  48  -2.583   2.374   2.280
  346    HG1  THR  48           HG1      THR  48  -4.583   2.209   3.419
  347   HG21  THR  48          HG21      THR  48  -0.766   0.809   2.889
  348   HG22  THR  48          HG22      THR  48  -2.144  -0.015   2.168
  349   HG23  THR  48          HG23      THR  48  -1.892  -0.080   3.921
  350    H    ALA  49           HN       ALA  49  -1.335   4.272   2.582
  351    HA   ALA  49           HA       ALA  49   1.329   3.547   2.250
  352    HB1  ALA  49           HB1      ALA  49   0.077   6.228   1.668
  353    HB2  ALA  49           HB2      ALA  49   0.057   4.835   0.590
  354    HB3  ALA  49           HB3      ALA  49   1.589   5.611   0.998
  355    H    ALA  50           HN       ALA  50  -0.077   6.109   4.244
  356    HA   ALA  50           HA       ALA  50   2.208   7.440   5.057
  357    HB1  ALA  50           HB1      ALA  50  -0.298   6.970   6.670
  358    HB2  ALA  50           HB2      ALA  50  -0.064   8.242   5.465
  359    HB3  ALA  50           HB3      ALA  50   0.894   8.244   6.940
  360    H    ARG  51           HN       ARG  51   0.767   4.569   6.370
  361    HA   ARG  51           HA       ARG  51   2.249   4.254   8.757
  362    HB2  ARG  51           HB2      ARG  51   0.108   3.085   7.978
  363    HB3  ARG  51           HB1      ARG  51   1.116   2.100   6.955
  364    HG2  ARG  51           HG2      ARG  51   1.256   2.128   9.979
  365    HG3  ARG  51           HG1      ARG  51   0.315   0.988   9.024
  366    HD2  ARG  51           HD2      ARG  51   2.558   0.441   7.895
  367    HD3  ARG  51           HD1      ARG  51   3.291   1.243   9.286
  368    HE   ARG  51           HE       ARG  51   1.341  -0.850   9.821
  369   HH11  ARG  51          HH11      ARG  51   4.680   0.208  10.146
  370   HH12  ARG  51          HH12      ARG  51   5.244  -1.311  10.729
  371   HH21  ARG  51          HH21      ARG  51   2.095  -2.898  10.588
  372   HH22  ARG  51          HH22      ARG  51   3.765  -3.139  10.891
  373    H    LEU  52           HN       LEU  52   2.856   3.438   5.426
  374    HA   LEU  52           HA       LEU  52   5.230   1.882   5.977
  375    HB2  LEU  52           HB2      LEU  52   4.103   2.858   3.359
  376    HB3  LEU  52           HB1      LEU  52   5.377   1.668   3.554
  377    HG   LEU  52           HG       LEU  52   2.468   1.337   4.332
  378   HD11  LEU  52          HD11      LEU  52   4.111   0.052   2.181
  379   HD12  LEU  52          HD12      LEU  52   2.853   1.268   1.959
  380   HD13  LEU  52          HD13      LEU  52   2.434  -0.330   2.580
  381   HD21  LEU  52          HD21      LEU  52   3.088  -0.985   4.861
  382   HD22  LEU  52          HD22      LEU  52   3.895   0.169   5.919
  383   HD23  LEU  52          HD23      LEU  52   4.794  -0.590   4.605
  384    H    GLU  53           HN       GLU  53   4.415   4.948   4.416
  385    HA   GLU  53           HA       GLU  53   6.868   5.909   3.570
  386    HB2  GLU  53           HB2      GLU  53   4.574   7.448   4.782
  387    HB3  GLU  53           HB1      GLU  53   5.923   8.169   3.926
  388    HG2  GLU  53           HG2      GLU  53   5.247   7.098   1.896
  389    HG3  GLU  53           HG1      GLU  53   3.949   6.240   2.726
  390    H    SER  54           HN       SER  54   5.352   6.413   6.747
  391    HA   SER  54           HA       SER  54   7.314   8.133   7.737
  392    HB2  SER  54           HB2      SER  54   5.013   7.854   8.657
  393    HB3  SER  54           HB1      SER  54   5.516   6.306   9.342
  394    HG   SER  54           HG       SER  54   5.866   8.816  10.202
  395    H    ARG  55           HN       ARG  55   7.028   4.615   7.983
  396    HA   ARG  55           HA       ARG  55   9.246   4.401   9.758
  397    HB2  ARG  55           HB2      ARG  55   7.539   2.708   9.881
  398    HB3  ARG  55           HB1      ARG  55   7.759   2.303   8.185
  399    HG2  ARG  55           HG2      ARG  55  10.002   1.469   8.664
  400    HG3  ARG  55           HG1      ARG  55   9.803   1.890  10.364
  401    HD2  ARG  55           HD2      ARG  55   8.116   0.245  10.651
  402    HD3  ARG  55           HD1      ARG  55   7.960   0.011   8.907
  403    HE   ARG  55           HE       ARG  55  10.595  -0.524   9.922
  404   HH11  ARG  55          HH11      ARG  55   7.412  -2.071   9.651
  405   HH12  ARG  55          HH12      ARG  55   8.052  -3.606   9.285
  406   HH21  ARG  55          HH21      ARG  55  11.428  -2.568   9.415
  407   HH22  ARG  55          HH22      ARG  55  10.405  -3.889   9.028
  408    H    TYR  56           HN       TYR  56   8.873   3.933   6.261
  409    HA   TYR  56           HA       TYR  56  11.636   3.104   6.088
  410    HB2  TYR  56           HB2      TYR  56   9.481   3.264   3.990
  411    HB3  TYR  56           HB1      TYR  56  11.143   2.794   3.641
  412    HD1  TYR  56           HD1      TYR  56  12.041   0.684   4.467
  413    HD2  TYR  56           HD2      TYR  56   8.000   1.774   5.206
  414    HE1  TYR  56           HE1      TYR  56  11.546  -1.632   5.138
  415    HE2  TYR  56           HE2      TYR  56   7.491  -0.537   5.871
  416    HH   TYR  56           HH       TYR  56   8.381  -2.805   5.551
  417    H    GLY  57           HN       GLY  57  10.073   6.043   5.987
  418    HA2  GLY  57           HA2      GLY  57  11.023   8.129   5.769
  419    HA3  GLY  57           HA1      GLY  57  12.531   7.358   5.291
  420    H    VAL  58           HN       VAL  58   9.455   6.808   3.742
  421    HA   VAL  58           HA       VAL  58  10.498   8.201   1.361
  422    HB   VAL  58           HB       VAL  58   9.495   6.593  -0.122
  423   HG11  VAL  58          HG11      VAL  58  10.713   5.090   2.122
  424   HG12  VAL  58          HG12      VAL  58  11.623   5.871   0.817
  425   HG13  VAL  58          HG13      VAL  58  10.551   4.488   0.476
  426   HG21  VAL  58          HG21      VAL  58   8.168   4.691   0.588
  427   HG22  VAL  58          HG22      VAL  58   7.406   6.206   1.073
  428   HG23  VAL  58          HG23      VAL  58   8.267   5.220   2.275
  429    H    SER  59           HN       SER  59   8.403   8.549  -0.222
  430    HA   SER  59           HA       SER  59   5.990   8.826   1.242
  431    HB2  SER  59           HB2      SER  59   7.291  10.999   1.682
  432    HB3  SER  59           HB1      SER  59   7.103  11.343  -0.041
  433    HG   SER  59           HG       SER  59   4.808  10.586   1.301
  434    H    ILE  60           HN       ILE  60   4.214   8.993  -0.143
  435    HA   ILE  60           HA       ILE  60   4.814   8.676  -3.005
  436    HB   ILE  60           HB       ILE  60   2.598   7.277  -1.448
  437   HG12  ILE  60          HG12      ILE  60   5.067   6.119  -2.769
  438   HG13  ILE  60          HG11      ILE  60   4.820   6.281  -1.037
  439   HG21  ILE  60          HG21      ILE  60   2.106   6.107  -3.553
  440   HG22  ILE  60          HG22      ILE  60   3.337   7.067  -4.365
  441   HG23  ILE  60          HG23      ILE  60   1.892   7.855  -3.717
  442   HD11  ILE  60          HD11      ILE  60   3.208   4.559  -2.911
  443   HD12  ILE  60          HD12      ILE  60   2.929   4.732  -1.179
  444   HD13  ILE  60          HD13      ILE  60   4.430   4.005  -1.762
  445    HA   PRO  61           HA       PRO  61   2.294  12.356  -3.356
  446    HB2  PRO  61           HB2      PRO  61   1.953  11.288  -6.114
  447    HB3  PRO  61           HB1      PRO  61   2.464  12.895  -5.593
  448    HG2  PRO  61           HG2      PRO  61   4.221  11.169  -6.569
  449    HG3  PRO  61           HG1      PRO  61   4.646  12.211  -5.200
  450    HD2  PRO  61           HD2      PRO  61   3.926   9.315  -5.232
  451    HD3  PRO  61           HD1      PRO  61   5.132  10.165  -4.241
  452    H    ASP  62           HN       ASP  62   0.198  12.707  -3.059
  453    HA   ASP  62           HA       ASP  62  -1.757  10.977  -2.383
  454    HB2  ASP  62           HB2      ASP  62  -2.150  13.596  -3.823
  455    HB3  ASP  62           HB1      ASP  62  -3.393  12.743  -2.927
  456    H    ASP  63           HN       ASP  63  -1.306  12.342  -5.613
  457    HA   ASP  63           HA       ASP  63  -3.567  11.076  -6.765
  458    HB2  ASP  63           HB2      ASP  63  -2.614  13.088  -7.763
  459    HB3  ASP  63           HB1      ASP  63  -1.123  12.211  -8.117
  460    H    VAL  64           HN       VAL  64  -0.184  10.225  -6.639
  461    HA   VAL  64           HA       VAL  64  -0.336   8.128  -8.558
  462    HB   VAL  64           HB       VAL  64   1.801   8.611  -6.454
  463   HG11  VAL  64          HG11      VAL  64   3.278   7.316  -7.948
  464   HG12  VAL  64          HG12      VAL  64   1.884   6.939  -8.969
  465   HG13  VAL  64          HG13      VAL  64   1.949   6.350  -7.310
  466   HG21  VAL  64          HG21      VAL  64   3.047   9.701  -8.255
  467   HG22  VAL  64          HG22      VAL  64   1.525  10.530  -7.920
  468   HG23  VAL  64          HG23      VAL  64   1.667   9.492  -9.338
  469    H    ALA  65           HN       ALA  65  -0.898   8.278  -5.120
  470    HA   ALA  65           HA       ALA  65  -0.668   5.566  -4.501
  471    HB1  ALA  65           HB1      ALA  65  -0.723   7.367  -2.829
  472    HB2  ALA  65           HB2      ALA  65  -1.965   6.158  -2.528
  473    HB3  ALA  65           HB3      ALA  65  -2.401   7.703  -3.263
  474    H    GLY  66           HN       GLY  66  -3.243   7.529  -5.838
  475    HA2  GLY  66           HA2      GLY  66  -5.110   5.289  -5.822
  476    HA3  GLY  66           HA1      GLY  66  -5.457   6.947  -6.299
  477    H    ARG  67           HN       ARG  67  -2.549   5.922  -7.670
  478    HA   ARG  67           HA       ARG  67  -3.935   5.373 -10.171
  479    HB2  ARG  67           HB2      ARG  67  -1.242   6.585  -9.646
  480    HB3  ARG  67           HB1      ARG  67  -1.770   6.068 -11.236
  481    HG2  ARG  67           HG2      ARG  67  -3.213   8.117  -9.564
  482    HG3  ARG  67           HG1      ARG  67  -2.001   8.523 -10.769
  483    HD2  ARG  67           HD2      ARG  67  -4.225   8.821 -11.695
  484    HD3  ARG  67           HD1      ARG  67  -3.412   7.495 -12.506
  485    HE   ARG  67           HE       ARG  67  -4.805   6.055 -10.920
  486   HH11  ARG  67          HH11      ARG  67  -5.975   9.233 -11.942
  487   HH12  ARG  67          HH12      ARG  67  -7.592   8.734 -12.147
  488   HH21  ARG  67          HH21      ARG  67  -7.040   5.348 -11.222
  489   HH22  ARG  67          HH22      ARG  67  -8.200   6.455 -11.761
  490    H    VAL  68           HN       VAL  68  -2.653   3.703  -7.803
  491    HA   VAL  68           HA       VAL  68  -1.333   1.861  -9.595
  492    HB   VAL  68           HB       VAL  68  -0.798   0.462  -7.535
  493   HG11  VAL  68          HG11      VAL  68   0.072   3.329  -7.436
  494   HG12  VAL  68          HG12      VAL  68   0.785   2.047  -8.413
  495   HG13  VAL  68          HG13      VAL  68   0.872   1.964  -6.656
  496   HG21  VAL  68          HG21      VAL  68  -2.020   2.807  -6.078
  497   HG22  VAL  68          HG22      VAL  68  -1.064   1.519  -5.348
  498   HG23  VAL  68          HG23      VAL  68  -2.628   1.146  -6.073
  499    H    ASP  69           HN       ASP  69  -2.152  -0.608  -8.419
  500    HA   ASP  69           HA       ASP  69  -5.056  -0.522  -8.958
  501    HB2  ASP  69           HB2      ASP  69  -3.595  -1.097 -11.068
  502    HB3  ASP  69           HB1      ASP  69  -3.325  -2.609 -10.256
  503    H    THR  70           HN       THR  70  -2.383  -2.758  -8.518
  504    HA   THR  70           HA       THR  70  -3.850  -4.045  -6.396
  505    HB   THR  70           HB       THR  70  -2.530  -6.056  -7.115
  506    HG1  THR  70           HG1      THR  70  -1.731  -5.699  -9.418
  507   HG21  THR  70          HG21      THR  70  -4.822  -5.686  -7.941
  508   HG22  THR  70          HG22      THR  70  -3.822  -6.454  -9.184
  509   HG23  THR  70          HG23      THR  70  -4.162  -4.721  -9.266
  510    HA   PRO  71           HA       PRO  71  -0.780  -2.951  -3.379
  511    HB2  PRO  71           HB2      PRO  71  -0.485  -5.911  -3.060
  512    HB3  PRO  71           HB1      PRO  71  -0.620  -4.648  -1.827
  513    HG2  PRO  71           HG2      PRO  71  -2.757  -6.038  -2.415
  514    HG3  PRO  71           HG1      PRO  71  -2.878  -4.271  -2.254
  515    HD2  PRO  71           HD2      PRO  71  -2.841  -5.949  -4.730
  516    HD3  PRO  71           HD1      PRO  71  -3.772  -4.481  -4.367
  517    H    ARG  72           HN       ARG  72   0.158  -5.361  -5.757
  518    HA   ARG  72           HA       ARG  72   2.904  -5.440  -5.115
  519    HB2  ARG  72           HB2      ARG  72   3.262  -6.515  -7.241
  520    HB3  ARG  72           HB1      ARG  72   1.747  -7.113  -6.583
  521    HG2  ARG  72           HG2      ARG  72   0.501  -5.676  -8.081
  522    HG3  ARG  72           HG1      ARG  72   2.009  -4.994  -8.704
  523    HD2  ARG  72           HD2      ARG  72   1.375  -6.588 -10.293
  524    HD3  ARG  72           HD1      ARG  72   2.628  -7.371  -9.331
  525    HE   ARG  72           HE       ARG  72  -0.130  -7.813  -8.575
  526   HH11  ARG  72          HH11      ARG  72   2.882  -9.238  -9.842
  527   HH12  ARG  72          HH12      ARG  72   2.165 -10.743 -10.177
  528   HH21  ARG  72          HH21      ARG  72  -1.082  -9.922  -9.080
  529   HH22  ARG  72          HH22      ARG  72  -0.111 -11.115  -9.809
  530    H    GLU  73           HN       GLU  73   1.001  -3.183  -6.952
  531    HA   GLU  73           HA       GLU  73   3.217  -1.896  -8.251
  532    HB2  GLU  73           HB2      GLU  73   0.382  -0.933  -7.884
  533    HB3  GLU  73           HB1      GLU  73   1.545  -0.319  -9.048
  534    HG2  GLU  73           HG2      GLU  73   0.401  -3.104  -9.017
  535    HG3  GLU  73           HG1      GLU  73  -0.103  -1.791 -10.075
  536    H    LEU  74           HN       LEU  74   1.193  -1.379  -5.480
  537    HA   LEU  74           HA       LEU  74   2.052   1.193  -4.652
  538    HB2  LEU  74           HB2      LEU  74   0.071  -0.308  -3.849
  539    HB3  LEU  74           HB1      LEU  74   1.340  -1.079  -2.890
  540    HG   LEU  74           HG       LEU  74  -0.156   0.595  -1.653
  541   HD11  LEU  74          HD11      LEU  74   2.798   1.088  -1.631
  542   HD12  LEU  74          HD12      LEU  74   1.937  -0.147  -0.707
  543   HD13  LEU  74          HD13      LEU  74   1.664   1.572  -0.366
  544   HD21  LEU  74          HD21      LEU  74   0.396   2.949  -1.885
  545   HD22  LEU  74          HD22      LEU  74  -0.255   2.296  -3.392
  546   HD23  LEU  74          HD23      LEU  74   1.483   2.569  -3.219
  547    H    LEU  75           HN       LEU  75   2.984  -2.078  -3.832
  548    HA   LEU  75           HA       LEU  75   4.981  -1.728  -1.991
  549    HB2  LEU  75           HB2      LEU  75   3.948  -3.807  -2.448
  550    HB3  LEU  75           HB1      LEU  75   4.465  -3.765  -4.118
  551    HG   LEU  75           HG       LEU  75   6.761  -3.889  -3.317
  552   HD11  LEU  75          HD11      LEU  75   6.458  -3.172  -1.015
  553   HD12  LEU  75          HD12      LEU  75   7.150  -4.795  -1.039
  554   HD13  LEU  75          HD13      LEU  75   5.436  -4.572  -0.694
  555   HD21  LEU  75          HD21      LEU  75   4.930  -6.174  -2.662
  556   HD22  LEU  75          HD22      LEU  75   6.675  -6.322  -2.968
  557   HD23  LEU  75          HD23      LEU  75   5.583  -5.757  -4.242
  558    H    ASP  76           HN       ASP  76   5.132  -1.772  -5.523
  559    HA   ASP  76           HA       ASP  76   7.964  -1.706  -5.675
  560    HB2  ASP  76           HB2      ASP  76   6.622  -2.529  -7.565
  561    HB3  ASP  76           HB1      ASP  76   5.962  -0.911  -7.796
  562    H    LEU  77           HN       LEU  77   5.457   0.754  -5.723
  563    HA   LEU  77           HA       LEU  77   6.954   3.022  -6.343
  564    HB2  LEU  77           HB2      LEU  77   4.702   2.717  -4.377
  565    HB3  LEU  77           HB1      LEU  77   5.329   4.251  -4.915
  566    HG   LEU  77           HG       LEU  77   3.915   2.198  -6.599
  567   HD11  LEU  77          HD11      LEU  77   3.073   4.936  -5.640
  568   HD12  LEU  77          HD12      LEU  77   2.460   3.388  -5.056
  569   HD13  LEU  77          HD13      LEU  77   2.155   3.882  -6.720
  570   HD21  LEU  77          HD21      LEU  77   4.963   4.928  -7.341
  571   HD22  LEU  77          HD22      LEU  77   3.979   3.894  -8.372
  572   HD23  LEU  77          HD23      LEU  77   5.604   3.384  -7.909
  573    H    ILE  78           HN       ILE  78   6.367   1.482  -3.239
  574    HA   ILE  78           HA       ILE  78   7.738   3.246  -1.572
  575    HB   ILE  78           HB       ILE  78   7.414   0.249  -1.262
  576   HG12  ILE  78          HG12      ILE  78   5.266   1.535  -1.399
  577   HG13  ILE  78          HG11      ILE  78   5.495   0.746   0.158
  578   HG21  ILE  78          HG21      ILE  78   9.232   1.031   0.129
  579   HG22  ILE  78          HG22      ILE  78   7.849   0.633   1.146
  580   HG23  ILE  78          HG23      ILE  78   8.225   2.316   0.784
  581   HD11  ILE  78          HD11      ILE  78   4.581   2.967   0.427
  582   HD12  ILE  78          HD12      ILE  78   5.937   3.659  -0.457
  583   HD13  ILE  78          HD13      ILE  78   6.208   2.896   1.110
  584    H    ASN  79           HN       ASN  79   8.855   0.068  -2.757
  585    HA   ASN  79           HA       ASN  79  11.473   0.481  -1.798
  586    HB2  ASN  79           HB2      ASN  79  10.466  -1.571  -3.752
  587    HB3  ASN  79           HB1      ASN  79  12.105  -1.554  -3.114
  588   HD21  ASN  79          HD21      ASN  79  10.253  -3.620  -2.858
  589   HD22  ASN  79          HD22      ASN  79   9.869  -3.839  -1.177
  590    H    GLY  80           HN       GLY  80  10.012   1.254  -4.846
  591    HA2  GLY  80           HA2      GLY  80  12.379   1.624  -6.338
  592    HA3  GLY  80           HA1      GLY  80  10.835   2.427  -6.625
  593    H    ALA  81           HN       ALA  81  10.459   3.786  -4.313
  594    HA   ALA  81           HA       ALA  81  12.197   6.015  -4.628
  595    HB1  ALA  81           HB1      ALA  81  10.919   7.030  -2.817
  596    HB2  ALA  81           HB2      ALA  81  10.176   5.479  -2.444
  597    HB3  ALA  81           HB3      ALA  81   9.833   6.270  -3.980
  598    H    LEU  82           HN       LEU  82  11.808   3.478  -2.225
  599    HA   LEU  82           HA       LEU  82  13.524   4.370  -0.268
  600    HB2  LEU  82           HB2      LEU  82  11.860   2.655   0.041
  601    HB3  LEU  82           HB1      LEU  82  12.690   1.612  -1.095
  602    HG   LEU  82           HG       LEU  82  14.559   1.490   0.420
  603   HD11  LEU  82          HD11      LEU  82  12.765   2.977   2.341
  604   HD12  LEU  82          HD12      LEU  82  14.271   3.580   1.648
  605   HD13  LEU  82          HD13      LEU  82  14.300   2.218   2.770
  606   HD21  LEU  82          HD21      LEU  82  12.903  -0.257   0.428
  607   HD22  LEU  82          HD22      LEU  82  11.907   0.658   1.568
  608   HD23  LEU  82          HD23      LEU  82  13.466   0.019   2.079
  609    H    ALA  83           HN       ALA  83  14.178   2.462  -3.177
  610    HA   ALA  83           HA       ALA  83  16.797   1.674  -2.561
  611    HB1  ALA  83           HB1      ALA  83  15.616   2.166  -5.294
  612    HB2  ALA  83           HB2      ALA  83  15.464   0.672  -4.370
  613    HB3  ALA  83           HB3      ALA  83  17.045   1.199  -4.932
  614    H    GLU  84           HN       GLU  84  15.542   4.676  -3.865
  615    HA   GLU  84           HA       GLU  84  18.155   5.697  -4.501
  616    HB2  GLU  84           HB2      GLU  84  15.380   6.855  -4.611
  617    HB3  GLU  84           HB1      GLU  84  16.835   7.657  -5.162
  618    HG2  GLU  84           HG2      GLU  84  15.729   5.088  -6.283
  619    HG3  GLU  84           HG1      GLU  84  15.523   6.685  -7.003
  620    H    ALA  85           HN       ALA  85  15.602   5.990  -2.113
  621    HA   ALA  85           HA       ALA  85  16.629   8.367  -0.915
  622    HB1  ALA  85           HB1      ALA  85  14.440   6.548   0.048
  623    HB2  ALA  85           HB2      ALA  85  14.246   7.920  -1.045
  624    HB3  ALA  85           HB3      ALA  85  14.777   8.185   0.619
  625    H    ALA  86           HN       ALA  86  16.986   4.916  -0.164
  626    HA   ALA  86           HA       ALA  86  18.657   5.776   2.081
  627    HB1  ALA  86           HB1      ALA  86  17.848   3.899   3.413
  628    HB2  ALA  86           HB2      ALA  86  16.735   3.448   2.125
  629    HB3  ALA  86           HB3      ALA  86  16.523   4.979   2.979
  630   H28A  SDO 101          H28A      SDO  42 -10.767  12.248  -2.582
  631   H28B  SDO 101          H28B      SDO  42  -9.883  11.376  -1.323
  632   H30A  SDO 101          H30A      SDO  42 -10.695  14.739   0.020
  633   H30B  SDO 101          H30B      SDO  42 -11.033  13.014   0.164
  634   H30C  SDO 101          H30C      SDO  42 -11.663  13.926  -1.209
  635   H31A  SDO 101          H31A      SDO  42  -8.298  14.290   0.110
  636   H31B  SDO 101          H31B      SDO  42  -7.562  13.148  -1.019
  637   H31C  SDO 101          H31C      SDO  42  -8.579  12.539   0.316
  638   H32A  SDO 101          H32A      SDO  42 -10.067  14.751  -3.016
  639   H33A  SDO 101          H33A      SDO  42  -8.059  13.340  -3.057
  640   H36A  SDO 101          H36A      SDO  42  -7.076  15.621  -1.877
  641   H37A  SDO 101          H37A      SDO  42  -6.550  17.981  -1.566
  642   H37B  SDO 101          H37B      SDO  42  -8.014  18.119  -0.578
  643   H38A  SDO 101          H38A      SDO  42  -5.564  16.445   0.121
  644   H38B  SDO 101          H38B      SDO  42  -5.822  18.077   0.663
  645   H41A  SDO 101          H41A      SDO  42  -8.826  16.837   0.608
  646   H42A  SDO 101          H42A      SDO  42  -9.298  15.052   2.536
  647   H42B  SDO 101          H42B      SDO  42  -9.098  16.568   3.450
  648   H43A  SDO 101          H43A      SDO  42 -10.899  16.153   1.099
  649   H43B  SDO 101          H43B      SDO  42 -10.938  17.542   2.173
  650    H1A  SDO 101           H1A      SDO  42 -12.150  14.905   5.302
  651    H1B  SDO 101           H1B      SDO  42 -12.155  13.616   4.131
  652    H2A  SDO 101           H2A      SDO  42  -9.760  15.236   4.878
  653    H2B  SDO 101           H2B      SDO  42  -9.798  13.895   3.765
  654    H4A  SDO 101           H4A      SDO  42 -10.541  12.737   7.814
  655    H4B  SDO 101           H4B      SDO  42 -10.608  11.413   6.679
  656    H5A  SDO 101           H5A      SDO  42 -12.598  12.336   5.640
  657    H5B  SDO 101           H5B      SDO  42 -12.573  13.673   6.785
  658    H6A  SDO 101           H6A      SDO  42 -12.863  12.132   8.643
  659    H6B  SDO 101           H6B      SDO  42 -12.802  10.755   7.548
  660    H8A  SDO 101           H8A      SDO  42 -14.604  13.624   6.267
  661    H8B  SDO 101           H8B      SDO  42 -16.218  12.979   6.582
  662    H8C  SDO 101           H8C      SDO  42 -15.146  12.170   5.424
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  17.727  -8.866  -0.297
    2    H2   MET   1           HT2      MET   1  18.608  -9.714  -1.463
    3    H3   MET   1           HT3      MET   1  17.610  -8.408  -1.926
    4    HA   MET   1           HA       MET   1  20.015  -8.263  -0.225
    5    HB2  MET   1           HB2      MET   1  19.445  -7.159  -2.991
    6    HB3  MET   1           HB1      MET   1  20.887  -6.817  -2.045
    7    HG2  MET   1           HG2      MET   1  20.062  -9.522  -3.073
    8    HG3  MET   1           HG1      MET   1  21.277  -8.476  -3.803
    9    HE1  MET   1           HE1      MET   1  23.575  -7.850  -2.618
   10    HE2  MET   1           HE2      MET   1  24.060  -8.421  -1.022
   11    HE3  MET   1           HE3      MET   1  22.716  -7.289  -1.184
   12    H    ALA   2           HN       ALA   2  20.365  -6.347   0.779
   13    HA   ALA   2           HA       ALA   2  19.979  -4.376   1.746
   14    HB1  ALA   2           HB1      ALA   2  19.707  -3.448  -0.538
   15    HB2  ALA   2           HB2      ALA   2  18.664  -2.635   0.632
   16    HB3  ALA   2           HB3      ALA   2  17.987  -3.835  -0.469
   17    H    THR   3           HN       THR   3  18.185  -3.039   2.788
   18    HA   THR   3           HA       THR   3  16.298  -4.924   3.933
   19    HB   THR   3           HB       THR   3  16.931  -2.074   4.783
   20    HG1  THR   3           HG1      THR   3  18.622  -3.930   4.819
   21   HG21  THR   3          HG21      THR   3  14.762  -3.005   5.607
   22   HG22  THR   3          HG22      THR   3  15.911  -2.750   6.912
   23   HG23  THR   3          HG23      THR   3  15.635  -4.375   6.294
   24    H    LEU   4           HN       LEU   4  15.164  -4.988   1.956
   25    HA   LEU   4           HA       LEU   4  13.733  -2.602   1.115
   26    HB2  LEU   4           HB2      LEU   4  14.980  -4.135  -0.470
   27    HB3  LEU   4           HB1      LEU   4  13.773  -5.351  -0.125
   28    HG   LEU   4           HG       LEU   4  12.041  -3.812  -1.037
   29   HD11  LEU   4          HD11      LEU   4  12.773  -1.881  -2.347
   30   HD12  LEU   4          HD12      LEU   4  14.439  -2.177  -1.851
   31   HD13  LEU   4          HD13      LEU   4  13.233  -1.717  -0.649
   32   HD21  LEU   4          HD21      LEU   4  12.677  -4.135  -3.385
   33   HD22  LEU   4          HD22      LEU   4  13.020  -5.573  -2.427
   34   HD23  LEU   4          HD23      LEU   4  14.329  -4.490  -2.891
   35    H    LEU   5           HN       LEU   5  11.489  -2.530   1.086
   36    HA   LEU   5           HA       LEU   5  10.192  -4.012   3.168
   37    HB2  LEU   5           HB2      LEU   5   9.823  -1.565   2.695
   38    HB3  LEU   5           HB1      LEU   5   9.031  -2.016   1.204
   39    HG   LEU   5           HG       LEU   5   7.565  -1.334   3.214
   40   HD11  LEU   5          HD11      LEU   5   6.600  -2.369   1.233
   41   HD12  LEU   5          HD12      LEU   5   5.819  -2.923   2.716
   42   HD13  LEU   5          HD13      LEU   5   6.979  -3.964   1.887
   43   HD21  LEU   5          HD21      LEU   5   8.315  -4.112   4.065
   44   HD22  LEU   5          HD22      LEU   5   7.050  -3.109   4.776
   45   HD23  LEU   5          HD23      LEU   5   8.732  -2.610   4.879
   46    H    THR   6           HN       THR   6   8.983  -5.822   2.983
   47    HA   THR   6           HA       THR   6   8.585  -6.861   0.315
   48    HB   THR   6           HB       THR   6   8.367  -9.062   1.653
   49    HG1  THR   6           HG1      THR   6   8.457  -8.696   3.743
   50   HG21  THR   6          HG21      THR   6  11.001  -7.570   1.494
   51   HG22  THR   6          HG22      THR   6  10.279  -8.515   0.194
   52   HG23  THR   6          HG23      THR   6  10.825  -9.314   1.669
   53    H    THR   7           HN       THR   7   6.741  -8.625   0.287
   54    HA   THR   7           HA       THR   7   4.317  -7.233   0.346
   55    HB   THR   7           HB       THR   7   4.725 -10.209   0.094
   56    HG1  THR   7           HG1      THR   7   5.346  -9.865  -1.960
   57   HG21  THR   7          HG21      THR   7   2.386  -9.475   0.113
   58   HG22  THR   7          HG22      THR   7   2.841  -9.987  -1.518
   59   HG23  THR   7          HG23      THR   7   2.738  -8.275  -1.131
   60    H    ASP   8           HN       ASP   8   5.784  -9.619   2.483
   61    HA   ASP   8           HA       ASP   8   3.460 -10.308   3.917
   62    HB2  ASP   8           HB2      ASP   8   4.851 -11.417   5.481
   63    HB3  ASP   8           HB1      ASP   8   5.676 -11.567   3.940
   64    H    ASP   9           HN       ASP   9   5.763  -7.709   4.310
   65    HA   ASP   9           HA       ASP   9   4.570  -6.823   6.797
   66    HB2  ASP   9           HB2      ASP   9   7.057  -6.498   6.187
   67    HB3  ASP   9           HB1      ASP   9   6.483  -5.306   5.057
   68    H    LEU  10           HN       LEU  10   4.469  -6.059   3.423
   69    HA   LEU  10           HA       LEU  10   3.050  -3.665   3.407
   70    HB2  LEU  10           HB2      LEU  10   3.942  -4.713   1.401
   71    HB3  LEU  10           HB1      LEU  10   2.785  -6.011   1.546
   72    HG   LEU  10           HG       LEU  10   0.954  -4.254   1.351
   73   HD11  LEU  10          HD11      LEU  10   3.243  -2.571   0.385
   74   HD12  LEU  10          HD12      LEU  10   2.228  -2.280   1.800
   75   HD13  LEU  10          HD13      LEU  10   1.535  -2.192   0.182
   76   HD21  LEU  10          HD21      LEU  10   1.064  -4.238  -1.100
   77   HD22  LEU  10          HD22      LEU  10   1.506  -5.819  -0.448
   78   HD23  LEU  10          HD23      LEU  10   2.759  -4.720  -1.021
   79    H    ARG  11           HN       ARG  11   1.902  -6.994   3.591
   80    HA   ARG  11           HA       ARG  11  -0.843  -6.537   3.551
   81    HB2  ARG  11           HB2      ARG  11   0.100  -8.796   3.408
   82    HB3  ARG  11           HB1      ARG  11   0.621  -8.698   5.080
   83    HG2  ARG  11           HG2      ARG  11  -1.674  -8.630   5.839
   84    HG3  ARG  11           HG1      ARG  11  -2.262  -8.573   4.181
   85    HD2  ARG  11           HD2      ARG  11  -2.470 -10.818   5.087
   86    HD3  ARG  11           HD1      ARG  11  -1.299 -10.796   3.774
   87    HE   ARG  11           HE       ARG  11  -0.353 -10.555   6.522
   88   HH11  ARG  11          HH11      ARG  11  -0.566 -12.504   3.569
   89   HH12  ARG  11          HH12      ARG  11   0.598 -13.647   4.066
   90   HH21  ARG  11          HH21      ARG  11   1.162 -12.155   7.248
   91   HH22  ARG  11          HH22      ARG  11   1.570 -13.478   6.244
   92    H    ARG  12           HN       ARG  12   1.368  -6.585   6.271
   93    HA   ARG  12           HA       ARG  12  -0.353  -6.197   8.411
   94    HB2  ARG  12           HB2      ARG  12   2.386  -5.009   7.952
   95    HB3  ARG  12           HB1      ARG  12   1.539  -4.964   9.482
   96    HG2  ARG  12           HG2      ARG  12   1.665  -7.358   9.672
   97    HG3  ARG  12           HG1      ARG  12   2.377  -7.473   8.053
   98    HD2  ARG  12           HD2      ARG  12   4.328  -6.276   8.764
   99    HD3  ARG  12           HD1      ARG  12   3.603  -5.919  10.324
  100    HE   ARG  12           HE       ARG  12   3.601  -8.555  10.401
  101   HH11  ARG  12          HH11      ARG  12   6.225  -6.426   9.236
  102   HH12  ARG  12          HH12      ARG  12   7.454  -7.355   9.951
  103   HH21  ARG  12          HH21      ARG  12   5.318  -9.775  11.406
  104   HH22  ARG  12          HH22      ARG  12   6.948  -9.309  11.196
  105    H    ALA  13           HN       ALA  13   1.257  -3.724   6.451
  106    HA   ALA  13           HA       ALA  13   0.039  -1.506   7.721
  107    HB1  ALA  13           HB1      ALA  13   2.133  -1.350   6.477
  108    HB2  ALA  13           HB2      ALA  13   0.934  -0.185   5.912
  109    HB3  ALA  13           HB3      ALA  13   1.260  -1.645   4.971
  110    H    LEU  14           HN       LEU  14  -0.789  -3.329   4.793
  111    HA   LEU  14           HA       LEU  14  -2.852  -1.714   3.910
  112    HB2  LEU  14           HB2      LEU  14  -1.640  -3.719   2.810
  113    HB3  LEU  14           HB1      LEU  14  -2.776  -4.715   3.688
  114    HG   LEU  14           HG       LEU  14  -4.628  -3.573   2.515
  115   HD11  LEU  14          HD11      LEU  14  -3.490  -1.473   2.029
  116   HD12  LEU  14          HD12      LEU  14  -4.112  -2.209   0.546
  117   HD13  LEU  14          HD13      LEU  14  -2.393  -2.315   0.931
  118   HD21  LEU  14          HD21      LEU  14  -4.275  -4.662   0.354
  119   HD22  LEU  14          HD22      LEU  14  -3.729  -5.703   1.679
  120   HD23  LEU  14          HD23      LEU  14  -2.555  -4.821   0.705
  121    H    VAL  15           HN       VAL  15  -2.857  -4.477   6.180
  122    HA   VAL  15           HA       VAL  15  -5.599  -4.674   6.735
  123    HB   VAL  15           HB       VAL  15  -3.258  -5.164   8.622
  124   HG11  VAL  15          HG11      VAL  15  -4.802  -6.596   9.903
  125   HG12  VAL  15          HG12      VAL  15  -6.125  -6.091   8.852
  126   HG13  VAL  15          HG13      VAL  15  -5.321  -4.912   9.886
  127   HG21  VAL  15          HG21      VAL  15  -3.569  -7.514   8.042
  128   HG22  VAL  15          HG22      VAL  15  -3.155  -6.524   6.643
  129   HG23  VAL  15          HG23      VAL  15  -4.826  -7.063   6.878
  130    H    GLU  16           HN       GLU  16  -3.116  -2.876   8.506
  131    HA   GLU  16           HA       GLU  16  -4.592  -1.671  10.510
  132    HB2  GLU  16           HB2      GLU  16  -2.414  -0.312   8.929
  133    HB3  GLU  16           HB1      GLU  16  -2.892   0.038  10.578
  134    HG2  GLU  16           HG2      GLU  16  -1.674  -2.531   9.635
  135    HG3  GLU  16           HG1      GLU  16  -0.786  -1.239  10.404
  136    H    SER  17           HN       SER  17  -4.123  -0.638   7.192
  137    HA   SER  17           HA       SER  17  -5.463   1.856   7.485
  138    HB2  SER  17           HB2      SER  17  -4.558   0.422   5.004
  139    HB3  SER  17           HB1      SER  17  -4.948   2.141   5.164
  140    HG   SER  17           HG       SER  17  -2.744   0.698   6.117
  141    H    ALA  18           HN       ALA  18  -6.630  -1.298   7.102
  142    HA   ALA  18           HA       ALA  18  -8.875  -0.639   5.422
  143    HB1  ALA  18           HB1      ALA  18  -8.029  -2.954   5.506
  144    HB2  ALA  18           HB2      ALA  18  -9.714  -2.867   6.014
  145    HB3  ALA  18           HB3      ALA  18  -8.443  -3.036   7.222
  146    H    GLY  19           HN       GLY  19  -8.024  -0.393   8.690
  147    HA2  GLY  19           HA2      GLY  19  -9.067   0.581  10.471
  148    HA3  GLY  19           HA1      GLY  19 -10.220   1.238   9.319
  149    H    GLU  20           HN       GLU  20 -12.145   0.848  10.100
  150    HA   GLU  20           HA       GLU  20 -12.709  -1.865  11.089
  151    HB2  GLU  20           HB2      GLU  20 -14.001   0.741  11.901
  152    HB3  GLU  20           HB1      GLU  20 -14.466  -0.850  12.487
  153    HG2  GLU  20           HG2      GLU  20 -11.843   0.561  12.974
  154    HG3  GLU  20           HG1      GLU  20 -13.144   0.289  14.132
  155    H    THR  21           HN       THR  21 -12.933  -0.427   8.382
  156    HA   THR  21           HA       THR  21 -15.786  -0.846   7.965
  157    HB   THR  21           HB       THR  21 -14.877   1.267   7.032
  158    HG1  THR  21           HG1      THR  21 -15.457   0.786   4.696
  159   HG21  THR  21          HG21      THR  21 -13.338   1.258   5.102
  160   HG22  THR  21          HG22      THR  21 -13.173  -0.496   5.264
  161   HG23  THR  21          HG23      THR  21 -12.588   0.564   6.544
  162    H    ASP  22           HN       ASP  22 -15.403  -1.636   5.124
  163    HA   ASP  22           HA       ASP  22 -15.059  -4.420   5.732
  164    HB2  ASP  22           HB2      ASP  22 -16.828  -3.844   4.155
  165    HB3  ASP  22           HB1      ASP  22 -15.629  -3.179   3.040
  166    H    GLY  23           HN       GLY  23 -13.335  -5.317   5.882
  167    HA2  GLY  23           HA2      GLY  23 -11.126  -4.736   4.042
  168    HA3  GLY  23           HA1      GLY  23 -10.848  -5.028   5.778
  169    H    THR  24           HN       THR  24 -11.309  -6.435   2.790
  170    HA   THR  24           HA       THR  24 -12.634  -8.735   3.742
  171    HB   THR  24           HB       THR  24 -13.001  -7.781   1.470
  172    HG1  THR  24           HG1      THR  24 -12.472 -10.202   0.580
  173   HG21  THR  24          HG21      THR  24 -10.335  -9.076   0.850
  174   HG22  THR  24          HG22      THR  24 -10.692  -7.348   0.822
  175   HG23  THR  24          HG23      THR  24 -11.459  -8.422  -0.344
  176    H    ASP  25           HN       ASP  25 -11.486 -10.774   2.302
  177    HA   ASP  25           HA       ASP  25  -9.648 -11.766   4.242
  178    HB2  ASP  25           HB2      ASP  25 -11.332 -13.227   3.366
  179    HB3  ASP  25           HB1      ASP  25 -10.796 -12.936   1.716
  180    H    LEU  26           HN       LEU  26  -7.733 -10.754   4.160
  181    HA   LEU  26           HA       LEU  26  -6.241 -10.669   1.658
  182    HB2  LEU  26           HB2      LEU  26  -5.831  -9.504   4.382
  183    HB3  LEU  26           HB1      LEU  26  -4.441  -9.717   3.355
  184    HG   LEU  26           HG       LEU  26  -5.406  -8.183   1.703
  185   HD11  LEU  26          HD11      LEU  26  -7.763  -8.558   2.067
  186   HD12  LEU  26          HD12      LEU  26  -7.371  -6.844   2.237
  187   HD13  LEU  26          HD13      LEU  26  -7.655  -7.836   3.675
  188   HD21  LEU  26          HD21      LEU  26  -5.202  -6.139   3.033
  189   HD22  LEU  26          HD22      LEU  26  -3.948  -7.317   3.410
  190   HD23  LEU  26          HD23      LEU  26  -5.311  -7.101   4.510
  191    H    SER  27           HN       SER  27  -6.915 -13.095   3.490
  192    HA   SER  27           HA       SER  27  -4.213 -13.986   3.962
  193    HB2  SER  27           HB2      SER  27  -6.832 -15.349   4.603
  194    HB3  SER  27           HB1      SER  27  -5.229 -15.876   5.132
  195    HG   SER  27           HG       SER  27  -5.925 -13.252   5.659
  196    H    GLY  28           HN       GLY  28  -3.621 -14.011   1.833
  197    HA2  GLY  28           HA2      GLY  28  -3.481 -16.385   0.528
  198    HA3  GLY  28           HA1      GLY  28  -4.829 -15.491  -0.211
  199    H    ASP  29           HN       ASP  29  -2.931 -15.590  -2.005
  200    HA   ASP  29           HA       ASP  29  -1.155 -13.397  -1.379
  201    HB2  ASP  29           HB2      ASP  29  -0.231 -15.465  -2.514
  202    HB3  ASP  29           HB1      ASP  29  -1.103 -14.951  -3.959
  203    H    PHE  30           HN       PHE  30  -2.427 -11.845  -1.282
  204    HA   PHE  30           HA       PHE  30  -4.406 -11.040  -3.193
  205    HB2  PHE  30           HB2      PHE  30  -4.691  -9.111  -1.682
  206    HB3  PHE  30           HB1      PHE  30  -4.665 -10.635  -0.797
  207    HD1  PHE  30           HD2      PHE  30  -2.730 -11.233   0.629
  208    HD2  PHE  30           HD1      PHE  30  -2.912  -7.485  -1.402
  209    HE1  PHE  30           HE2      PHE  30  -0.863 -10.392   1.983
  210    HE2  PHE  30           HE1      PHE  30  -1.043  -6.656  -0.035
  211    HZ   PHE  30           HZ       PHE  30  -0.026  -8.107   1.650
  212    H    LEU  31           HN       LEU  31  -1.310 -11.000  -3.824
  213    HA   LEU  31           HA       LEU  31  -0.530  -8.304  -3.952
  214    HB2  LEU  31           HB2      LEU  31   0.941 -10.362  -3.905
  215    HB3  LEU  31           HB1      LEU  31   0.592 -10.550  -5.611
  216    HG   LEU  31           HG       LEU  31   1.630  -8.342  -6.034
  217   HD11  LEU  31          HD11      LEU  31   2.366  -8.481  -3.114
  218   HD12  LEU  31          HD12      LEU  31   1.239  -7.338  -3.854
  219   HD13  LEU  31          HD13      LEU  31   2.951  -7.287  -4.276
  220   HD21  LEU  31          HD21      LEU  31   3.942  -9.070  -5.665
  221   HD22  LEU  31          HD22      LEU  31   2.949 -10.391  -6.278
  222   HD23  LEU  31          HD23      LEU  31   3.373 -10.321  -4.566
  223    H    ASP  32           HN       ASP  32  -2.069 -10.381  -6.358
  224    HA   ASP  32           HA       ASP  32  -2.155  -8.120  -8.247
  225    HB2  ASP  32           HB2      ASP  32  -2.837  -9.658  -9.980
  226    HB3  ASP  32           HB1      ASP  32  -1.444 -10.329  -9.149
  227    H    LEU  33           HN       LEU  33  -3.924  -8.895  -5.758
  228    HA   LEU  33           HA       LEU  33  -6.539  -9.015  -6.950
  229    HB2  LEU  33           HB2      LEU  33  -5.898 -10.064  -4.721
  230    HB3  LEU  33           HB1      LEU  33  -5.816  -8.455  -4.062
  231    HG   LEU  33           HG       LEU  33  -8.224  -8.156  -4.449
  232   HD11  LEU  33          HD11      LEU  33  -8.144 -11.023  -5.409
  233   HD12  LEU  33          HD12      LEU  33  -8.429  -9.610  -6.424
  234   HD13  LEU  33          HD13      LEU  33  -9.592 -10.044  -5.171
  235   HD21  LEU  33          HD21      LEU  33  -9.001  -9.762  -2.777
  236   HD22  LEU  33          HD22      LEU  33  -7.436  -9.083  -2.328
  237   HD23  LEU  33          HD23      LEU  33  -7.532 -10.713  -3.002
  238    H    ARG  34           HN       ARG  34  -8.153  -7.247  -6.641
  239    HA   ARG  34           HA       ARG  34  -6.776  -4.716  -7.196
  240    HB2  ARG  34           HB2      ARG  34  -9.691  -5.434  -7.481
  241    HB3  ARG  34           HB1      ARG  34  -8.919  -3.963  -8.044
  242    HG2  ARG  34           HG2      ARG  34  -7.689  -5.192  -9.706
  243    HG3  ARG  34           HG1      ARG  34  -8.293  -6.726  -9.052
  244    HD2  ARG  34           HD2      ARG  34  -9.957  -4.530 -10.279
  245    HD3  ARG  34           HD1      ARG  34  -9.566  -6.077 -11.036
  246    HE   ARG  34           HE       ARG  34 -10.693  -6.837  -8.723
  247   HH11  ARG  34          HH11      ARG  34 -11.846  -4.607 -11.260
  248   HH12  ARG  34          HH12      ARG  34 -13.483  -4.851 -10.889
  249   HH21  ARG  34          HH21      ARG  34 -12.920  -7.169  -8.257
  250   HH22  ARG  34          HH22      ARG  34 -14.131  -6.344  -9.126
  251    H    PHE  35           HN       PHE  35  -7.482  -2.743  -6.219
  252    HA   PHE  35           HA       PHE  35  -8.170  -2.958  -3.472
  253    HB2  PHE  35           HB2      PHE  35  -7.974  -0.546  -5.304
  254    HB3  PHE  35           HB1      PHE  35  -8.452  -0.405  -3.616
  255    HD1  PHE  35           HD2      PHE  35  -6.869  -1.022  -1.827
  256    HD2  PHE  35           HD1      PHE  35  -5.678  -0.834  -5.901
  257    HE1  PHE  35           HE2      PHE  35  -4.505  -0.946  -1.129
  258    HE2  PHE  35           HE1      PHE  35  -3.319  -0.756  -5.213
  259    HZ   PHE  35           HZ       PHE  35  -2.729  -0.814  -2.828
  260    H    GLU  36           HN       GLU  36  -9.908  -2.541  -6.397
  261    HA   GLU  36           HA       GLU  36 -12.475  -1.861  -5.537
  262    HB2  GLU  36           HB2      GLU  36 -11.692  -3.846  -7.685
  263    HB3  GLU  36           HB1      GLU  36 -13.277  -3.135  -7.500
  264    HG2  GLU  36           HG2      GLU  36 -10.749  -1.657  -8.150
  265    HG3  GLU  36           HG1      GLU  36 -12.026  -2.079  -9.286
  266    H    ASP  37           HN       ASP  37 -10.796  -4.953  -5.486
  267    HA   ASP  37           HA       ASP  37 -13.148  -6.419  -4.660
  268    HB2  ASP  37           HB2      ASP  37 -10.266  -7.299  -4.893
  269    HB3  ASP  37           HB1      ASP  37 -11.583  -8.359  -4.425
  270    H    ILE  38           HN       ILE  38 -10.230  -5.172  -3.194
  271    HA   ILE  38           HA       ILE  38 -10.924  -6.464  -0.768
  272    HB   ILE  38           HB       ILE  38  -8.954  -5.372   0.288
  273   HG12  ILE  38          HG12      ILE  38  -8.523  -4.209  -2.478
  274   HG13  ILE  38          HG11      ILE  38  -8.911  -3.302  -1.023
  275   HG21  ILE  38          HG21      ILE  38  -7.281  -6.617  -1.001
  276   HG22  ILE  38          HG22      ILE  38  -8.419  -6.760  -2.335
  277   HG23  ILE  38          HG23      ILE  38  -8.766  -7.544  -0.789
  278   HD11  ILE  38          HD11      ILE  38  -6.540  -3.142  -1.571
  279   HD12  ILE  38          HD12      ILE  38  -6.392  -4.895  -1.476
  280   HD13  ILE  38          HD13      ILE  38  -6.777  -3.968  -0.031
  281    H    GLY  39           HN       GLY  39 -12.194  -3.845  -2.110
  282    HA2  GLY  39           HA2      GLY  39 -13.862  -2.466  -1.340
  283    HA3  GLY  39           HA1      GLY  39 -13.779  -3.316   0.185
  284    H    TYR  40           HN       TYR  40 -11.145  -1.560  -1.301
  285    HA   TYR  40           HA       TYR  40 -10.910  -0.037   1.159
  286    HB2  TYR  40           HB2      TYR  40  -9.055  -0.566  -1.111
  287    HB3  TYR  40           HB1      TYR  40  -8.777   0.827  -0.074
  288    HD1  TYR  40           HD2      TYR  40 -10.066  -2.503   0.957
  289    HD2  TYR  40           HD1      TYR  40  -6.807   0.219   1.019
  290    HE1  TYR  40           HE2      TYR  40  -8.916  -3.939   2.574
  291    HE2  TYR  40           HE1      TYR  40  -5.643  -1.179   2.628
  292    HH   TYR  40           HH       TYR  40  -6.147  -2.946   4.274
  293    H    ASP  41           HN       ASP  41 -10.815   2.089   1.324
  294    HA   ASP  41           HA       ASP  41 -12.179   3.666  -0.714
  295    HB2  ASP  41           HB2      ASP  41 -11.165   4.405   2.037
  296    HB3  ASP  41           HB1      ASP  41 -11.978   5.511   0.950
  297    H    SER  42           HN       SER  42 -11.241   5.867  -1.040
  298    HA   SER  42           HA       SER  42  -8.671   5.926  -2.053
  299    HB2  SER  42           HB2      SER  42  -9.100   8.436  -1.764
  300    HB3  SER  42           HB1      SER  42 -10.283   7.537  -2.731
  301    H    LEU  43           HN       LEU  43 -10.074   7.145   0.898
  302    HA   LEU  43           HA       LEU  43  -8.015   8.165   2.369
  303    HB2  LEU  43           HB2      LEU  43 -10.247   6.433   3.383
  304    HB3  LEU  43           HB1      LEU  43  -9.264   7.478   4.382
  305    HG   LEU  43           HG       LEU  43 -11.127   8.412   2.201
  306   HD11  LEU  43          HD11      LEU  43 -12.499   9.211   4.072
  307   HD12  LEU  43          HD12      LEU  43 -11.380   8.448   5.204
  308   HD13  LEU  43          HD13      LEU  43 -12.316   7.457   4.093
  309   HD21  LEU  43          HD21      LEU  43  -9.212   9.902   2.550
  310   HD22  LEU  43          HD22      LEU  43  -9.558   9.951   4.280
  311   HD23  LEU  43          HD23      LEU  43 -10.709  10.630   3.126
  312    H    ALA  44           HN       ALA  44  -9.132   4.840   2.384
  313    HA   ALA  44           HA       ALA  44  -7.372   3.721   4.179
  314    HB1  ALA  44           HB1      ALA  44  -8.623   2.394   1.785
  315    HB2  ALA  44           HB2      ALA  44  -9.374   2.593   3.366
  316    HB3  ALA  44           HB3      ALA  44  -7.949   1.571   3.186
  317    H    LEU  45           HN       LEU  45  -6.891   4.279   0.723
  318    HA   LEU  45           HA       LEU  45  -4.446   2.806   0.701
  319    HB2  LEU  45           HB2      LEU  45  -5.865   2.976  -1.239
  320    HB3  LEU  45           HB1      LEU  45  -5.585   4.706  -1.315
  321    HG   LEU  45           HG       LEU  45  -3.513   4.442  -2.344
  322   HD11  LEU  45          HD11      LEU  45  -2.069   2.518  -2.062
  323   HD12  LEU  45          HD12      LEU  45  -3.308   1.653  -1.135
  324   HD13  LEU  45          HD13      LEU  45  -2.524   3.085  -0.452
  325   HD21  LEU  45          HD21      LEU  45  -3.663   2.585  -3.838
  326   HD22  LEU  45          HD22      LEU  45  -5.288   3.314  -3.593
  327   HD23  LEU  45          HD23      LEU  45  -4.773   1.863  -2.675
  328    H    MET  46           HN       MET  46  -5.400   6.155   1.115
  329    HA   MET  46           HA       MET  46  -2.861   7.456   0.903
  330    HB2  MET  46           HB2      MET  46  -4.906   8.252   2.978
  331    HB3  MET  46           HB1      MET  46  -3.810   9.297   2.088
  332    HG2  MET  46           HG2      MET  46  -5.158   8.689   0.055
  333    HG3  MET  46           HG1      MET  46  -6.225   7.885   1.196
  334    HE1  MET  46           HE1      MET  46  -4.294  11.181   1.958
  335    HE2  MET  46           HE2      MET  46  -5.451  12.437   1.488
  336    HE3  MET  46           HE3      MET  46  -4.702  11.419   0.256
  337    H    GLU  47           HN       GLU  47  -4.742   6.231   3.524
  338    HA   GLU  47           HA       GLU  47  -3.088   6.437   5.672
  339    HB2  GLU  47           HB2      GLU  47  -5.244   4.768   4.710
  340    HB3  GLU  47           HB1      GLU  47  -4.597   4.284   6.315
  341    HG2  GLU  47           HG2      GLU  47  -5.161   6.720   6.923
  342    HG3  GLU  47           HG1      GLU  47  -5.980   6.805   5.365
  343    H    THR  48           HN       THR  48  -3.444   3.702   3.431
  344    HA   THR  48           HA       THR  48  -1.575   1.882   4.375
  345    HB   THR  48           HB       THR  48  -2.321   2.560   1.517
  346    HG1  THR  48           HG1      THR  48  -4.013   1.837   2.950
  347   HG21  THR  48          HG21      THR  48  -1.516   0.434   0.831
  348   HG22  THR  48          HG22      THR  48  -1.115  -0.029   2.486
  349   HG23  THR  48          HG23      THR  48  -0.181   1.236   1.683
  350    H    ALA  49           HN       ALA  49  -1.051   4.302   1.863
  351    HA   ALA  49           HA       ALA  49   1.686   3.811   1.481
  352    HB1  ALA  49           HB1      ALA  49   1.721   5.821   0.136
  353    HB2  ALA  49           HB2      ALA  49   0.172   6.338   0.800
  354    HB3  ALA  49           HB3      ALA  49   0.262   4.895  -0.209
  355    H    ALA  50           HN       ALA  50   0.043   6.368   3.321
  356    HA   ALA  50           HA       ALA  50   2.366   7.739   4.100
  357    HB1  ALA  50           HB1      ALA  50   0.964   8.863   5.718
  358    HB2  ALA  50           HB2      ALA  50  -0.273   7.619   5.542
  359    HB3  ALA  50           HB3      ALA  50   0.101   8.690   4.188
  360    H    ARG  51           HN       ARG  51   0.626   5.069   5.562
  361    HA   ARG  51           HA       ARG  51   2.011   5.053   8.029
  362    HB2  ARG  51           HB2      ARG  51  -0.247   3.935   7.270
  363    HB3  ARG  51           HB1      ARG  51   0.774   2.613   6.757
  364    HG2  ARG  51           HG2      ARG  51   0.757   3.662   9.581
  365    HG3  ARG  51           HG1      ARG  51  -0.347   2.413   9.012
  366    HD2  ARG  51           HD2      ARG  51   1.574   1.008   8.454
  367    HD3  ARG  51           HD1      ARG  51   2.667   2.262   9.049
  368    HE   ARG  51           HE       ARG  51   1.469   1.992  11.227
  369   HH11  ARG  51          HH11      ARG  51   1.727  -0.721   8.955
  370   HH12  ARG  51          HH12      ARG  51   1.584  -1.907  10.195
  371   HH21  ARG  51          HH21      ARG  51   1.362   0.348  12.870
  372   HH22  ARG  51          HH22      ARG  51   1.436  -1.293  12.427
  373    H    LEU  52           HN       LEU  52   2.714   3.848   4.858
  374    HA   LEU  52           HA       LEU  52   4.933   2.237   5.757
  375    HB2  LEU  52           HB2      LEU  52   4.009   3.023   2.994
  376    HB3  LEU  52           HB1      LEU  52   5.427   2.040   3.303
  377    HG   LEU  52           HG       LEU  52   2.584   1.258   4.032
  378   HD11  LEU  52          HD11      LEU  52   4.370   0.293   1.831
  379   HD12  LEU  52          HD12      LEU  52   2.909   1.268   1.650
  380   HD13  LEU  52          HD13      LEU  52   2.804  -0.379   2.275
  381   HD21  LEU  52          HD21      LEU  52   4.242   0.325   5.564
  382   HD22  LEU  52          HD22      LEU  52   5.198  -0.245   4.199
  383   HD23  LEU  52          HD23      LEU  52   3.606  -0.934   4.502
  384    H    GLU  53           HN       GLU  53   4.466   5.337   4.097
  385    HA   GLU  53           HA       GLU  53   7.093   6.032   3.585
  386    HB2  GLU  53           HB2      GLU  53   4.820   7.850   4.350
  387    HB3  GLU  53           HB1      GLU  53   6.354   8.402   3.711
  388    HG2  GLU  53           HG2      GLU  53   5.885   7.172   1.623
  389    HG3  GLU  53           HG1      GLU  53   4.322   6.696   2.298
  390    H    SER  54           HN       SER  54   5.189   6.963   6.404
  391    HA   SER  54           HA       SER  54   7.251   8.364   7.710
  392    HB2  SER  54           HB2      SER  54   4.850   8.743   8.105
  393    HB3  SER  54           HB1      SER  54   4.705   7.137   8.805
  394    HG   SER  54           HG       SER  54   6.032   9.417   9.803
  395    H    ARG  55           HN       ARG  55   6.409   5.024   7.638
  396    HA   ARG  55           HA       ARG  55   7.692   4.334  10.120
  397    HB2  ARG  55           HB2      ARG  55   5.636   3.290   9.292
  398    HB3  ARG  55           HB1      ARG  55   6.521   2.648   7.934
  399    HG2  ARG  55           HG2      ARG  55   7.724   1.151   9.357
  400    HG3  ARG  55           HG1      ARG  55   7.036   1.909  10.808
  401    HD2  ARG  55           HD2      ARG  55   4.825   1.239  10.185
  402    HD3  ARG  55           HD1      ARG  55   5.381   0.661   8.622
  403    HE   ARG  55           HE       ARG  55   6.027  -0.570  11.205
  404   HH11  ARG  55          HH11      ARG  55   5.222  -0.754   7.788
  405   HH12  ARG  55          HH12      ARG  55   5.468  -2.445   7.662
  406   HH21  ARG  55          HH21      ARG  55   6.176  -2.982  11.059
  407   HH22  ARG  55          HH22      ARG  55   5.975  -3.717   9.515
  408    H    TYR  56           HN       TYR  56   8.526   4.164   6.695
  409    HA   TYR  56           HA       TYR  56  11.080   2.946   7.492
  410    HB2  TYR  56           HB2      TYR  56   9.640   2.727   4.858
  411    HB3  TYR  56           HB1      TYR  56  11.306   2.196   5.111
  412    HD1  TYR  56           HD1      TYR  56  11.792   0.289   6.544
  413    HD2  TYR  56           HD2      TYR  56   7.796   1.512   5.794
  414    HE1  TYR  56           HE1      TYR  56  10.983  -1.877   7.357
  415    HE2  TYR  56           HE2      TYR  56   6.972  -0.648   6.607
  416    HH   TYR  56           HH       TYR  56   9.026  -2.913   8.222
  417    H    GLY  57           HN       GLY  57   9.782   5.767   5.984
  418    HA2  GLY  57           HA2      GLY  57  11.059   7.714   5.759
  419    HA3  GLY  57           HA1      GLY  57  12.520   6.746   5.729
  420    H    VAL  58           HN       VAL  58   9.531   6.670   3.837
  421    HA   VAL  58           HA       VAL  58  11.179   7.085   1.445
  422    HB   VAL  58           HB       VAL  58   9.607   5.760   0.090
  423   HG11  VAL  58          HG11      VAL  58  11.533   4.622   0.994
  424   HG12  VAL  58          HG12      VAL  58  10.155   3.526   0.891
  425   HG13  VAL  58          HG13      VAL  58  10.629   4.205   2.452
  426   HG21  VAL  58          HG21      VAL  58   8.255   5.039   2.686
  427   HG22  VAL  58          HG22      VAL  58   7.856   4.399   1.087
  428   HG23  VAL  58          HG23      VAL  58   7.592   6.109   1.449
  429    H    SER  59           HN       SER  59   9.292   7.613  -0.441
  430    HA   SER  59           HA       SER  59   7.463   9.582   0.597
  431    HB2  SER  59           HB2      SER  59   9.772  10.354  -1.208
  432    HB3  SER  59           HB1      SER  59   8.436  11.405  -0.756
  433    HG   SER  59           HG       SER  59   9.427  10.394   1.447
  434    H    ILE  60           HN       ILE  60   5.672   9.366  -0.569
  435    HA   ILE  60           HA       ILE  60   5.872   8.829  -3.467
  436    HB   ILE  60           HB       ILE  60   3.780   7.742  -1.538
  437   HG12  ILE  60          HG12      ILE  60   5.743   6.273  -3.323
  438   HG13  ILE  60          HG11      ILE  60   5.868   6.440  -1.576
  439   HG21  ILE  60          HG21      ILE  60   2.699   6.691  -3.480
  440   HG22  ILE  60          HG22      ILE  60   3.851   7.484  -4.556
  441   HG23  ILE  60          HG23      ILE  60   2.712   8.450  -3.631
  442   HD11  ILE  60          HD11      ILE  60   3.820   5.149  -1.302
  443   HD12  ILE  60          HD12      ILE  60   5.023   4.247  -2.225
  444   HD13  ILE  60          HD13      ILE  60   3.671   5.022  -3.053
  445    HA   PRO  61           HA       PRO  61   3.596  12.713  -3.614
  446    HB2  PRO  61           HB2      PRO  61   2.813  11.693  -6.296
  447    HB3  PRO  61           HB1      PRO  61   3.559  13.236  -5.859
  448    HG2  PRO  61           HG2      PRO  61   4.986  11.339  -7.059
  449    HG3  PRO  61           HG1      PRO  61   5.695  12.316  -5.753
  450    HD2  PRO  61           HD2      PRO  61   4.603   9.522  -5.651
  451    HD3  PRO  61           HD1      PRO  61   6.072  10.189  -4.906
  452    H    ASP  62           HN       ASP  62   1.554  13.186  -3.112
  453    HA   ASP  62           HA       ASP  62  -0.177  11.381  -1.977
  454    HB2  ASP  62           HB2      ASP  62  -1.223  13.891  -3.265
  455    HB3  ASP  62           HB1      ASP  62  -1.723  13.138  -1.758
  456    H    ASP  63           HN       ASP  63  -0.523  12.899  -5.118
  457    HA   ASP  63           HA       ASP  63  -2.883  11.756  -6.043
  458    HB2  ASP  63           HB2      ASP  63  -1.816  13.633  -7.108
  459    HB3  ASP  63           HB1      ASP  63  -0.433  12.647  -7.542
  460    H    VAL  64           HN       VAL  64   0.401  10.492  -6.154
  461    HA   VAL  64           HA       VAL  64  -0.139   8.469  -8.089
  462    HB   VAL  64           HB       VAL  64   2.248   8.740  -6.232
  463   HG11  VAL  64          HG11      VAL  64   1.960   7.079  -8.740
  464   HG12  VAL  64          HG12      VAL  64   2.042   6.459  -7.090
  465   HG13  VAL  64          HG13      VAL  64   3.437   7.281  -7.787
  466   HG21  VAL  64          HG21      VAL  64   3.365   9.667  -8.224
  467   HG22  VAL  64          HG22      VAL  64   2.025  10.660  -7.656
  468   HG23  VAL  64          HG23      VAL  64   1.820   9.637  -9.074
  469    H    ALA  65           HN       ALA  65  -0.622   8.611  -4.703
  470    HA   ALA  65           HA       ALA  65  -0.448   5.874  -4.092
  471    HB1  ALA  65           HB1      ALA  65  -0.482   7.561  -2.371
  472    HB2  ALA  65           HB2      ALA  65  -1.876   6.466  -2.177
  473    HB3  ALA  65           HB3      ALA  65  -2.099   8.070  -2.868
  474    H    GLY  66           HN       GLY  66  -2.975   7.914  -5.406
  475    HA2  GLY  66           HA2      GLY  66  -4.905   5.731  -5.329
  476    HA3  GLY  66           HA1      GLY  66  -5.222   7.393  -5.817
  477    H    ARG  67           HN       ARG  67  -2.390   6.185  -7.240
  478    HA   ARG  67           HA       ARG  67  -3.811   5.907  -9.778
  479    HB2  ARG  67           HB2      ARG  67  -0.878   6.334  -9.206
  480    HB3  ARG  67           HB1      ARG  67  -1.599   6.211 -10.804
  481    HG2  ARG  67           HG2      ARG  67  -2.192   8.346  -8.769
  482    HG3  ARG  67           HG1      ARG  67  -1.130   8.526 -10.167
  483    HD2  ARG  67           HD2      ARG  67  -2.980   8.214 -11.658
  484    HD3  ARG  67           HD1      ARG  67  -4.045   7.802 -10.323
  485    HE   ARG  67           HE       ARG  67  -2.865  10.364 -10.011
  486   HH11  ARG  67          HH11      ARG  67  -5.408   8.664 -11.795
  487   HH12  ARG  67          HH12      ARG  67  -6.502   9.971 -11.786
  488   HH21  ARG  67          HH21      ARG  67  -4.325  12.142  -9.979
  489   HH22  ARG  67          HH22      ARG  67  -5.863  12.055 -10.728
  490    H    VAL  68           HN       VAL  68  -2.785   3.937  -7.394
  491    HA   VAL  68           HA       VAL  68  -1.854   1.966  -9.287
  492    HB   VAL  68           HB       VAL  68  -1.205   0.525  -7.364
  493   HG11  VAL  68          HG11      VAL  68   0.400   2.014  -8.335
  494   HG12  VAL  68          HG12      VAL  68   0.661   1.913  -6.595
  495   HG13  VAL  68          HG13      VAL  68  -0.129   3.330  -7.291
  496   HG21  VAL  68          HG21      VAL  68  -2.825   1.275  -5.696
  497   HG22  VAL  68          HG22      VAL  68  -2.067   2.872  -5.675
  498   HG23  VAL  68          HG23      VAL  68  -1.166   1.462  -5.111
  499    H    ASP  69           HN       ASP  69  -2.766  -0.260  -9.181
  500    HA   ASP  69           HA       ASP  69  -5.668  -0.107  -8.585
  501    HB2  ASP  69           HB2      ASP  69  -4.994  -0.308 -11.045
  502    HB3  ASP  69           HB1      ASP  69  -4.312  -1.848 -10.637
  503    H    THR  70           HN       THR  70  -2.751  -1.961  -8.509
  504    HA   THR  70           HA       THR  70  -4.055  -3.857  -6.720
  505    HB   THR  70           HB       THR  70  -2.540  -5.604  -7.696
  506    HG1  THR  70           HG1      THR  70  -1.773  -3.367  -9.306
  507   HG21  THR  70          HG21      THR  70  -4.823  -5.370  -8.544
  508   HG22  THR  70          HG22      THR  70  -3.731  -5.769  -9.887
  509   HG23  THR  70          HG23      THR  70  -4.294  -4.106  -9.646
  510    HA   PRO  71           HA       PRO  71  -1.221  -2.711  -3.574
  511    HB2  PRO  71           HB2      PRO  71  -0.726  -5.606  -3.082
  512    HB3  PRO  71           HB1      PRO  71  -1.265  -4.353  -1.960
  513    HG2  PRO  71           HG2      PRO  71  -2.999  -6.130  -2.886
  514    HG3  PRO  71           HG1      PRO  71  -3.452  -4.420  -2.738
  515    HD2  PRO  71           HD2      PRO  71  -2.677  -5.962  -5.186
  516    HD3  PRO  71           HD1      PRO  71  -3.967  -4.760  -4.967
  517    H    ARG  72           HN       ARG  72  -0.069  -5.140  -5.826
  518    HA   ARG  72           HA       ARG  72   2.619  -5.117  -5.041
  519    HB2  ARG  72           HB2      ARG  72   3.133  -6.048  -7.294
  520    HB3  ARG  72           HB1      ARG  72   1.900  -6.912  -6.406
  521    HG2  ARG  72           HG2      ARG  72   0.175  -5.809  -7.788
  522    HG3  ARG  72           HG1      ARG  72   1.461  -4.999  -8.685
  523    HD2  ARG  72           HD2      ARG  72   1.166  -7.985  -8.428
  524    HD3  ARG  72           HD1      ARG  72   0.641  -7.034  -9.821
  525    HE   ARG  72           HE       ARG  72   3.073  -6.316  -9.884
  526   HH11  ARG  72          HH11      ARG  72   2.091  -9.620  -8.812
  527   HH12  ARG  72          HH12      ARG  72   3.474 -10.355  -9.428
  528   HH21  ARG  72          HH21      ARG  72   4.964  -7.379 -10.719
  529   HH22  ARG  72          HH22      ARG  72   5.165  -9.072 -10.552
  530    H    GLU  73           HN       GLU  73   0.865  -2.935  -7.075
  531    HA   GLU  73           HA       GLU  73   3.143  -1.673  -8.237
  532    HB2  GLU  73           HB2      GLU  73   0.348  -0.644  -7.828
  533    HB3  GLU  73           HB1      GLU  73   1.548   0.001  -8.941
  534    HG2  GLU  73           HG2      GLU  73   1.481  -1.967 -10.261
  535    HG3  GLU  73           HG1      GLU  73   0.452  -2.780  -9.074
  536    H    LEU  74           HN       LEU  74   0.987  -0.991  -5.545
  537    HA   LEU  74           HA       LEU  74   2.018   1.471  -4.628
  538    HB2  LEU  74           HB2      LEU  74  -0.091   0.094  -3.935
  539    HB3  LEU  74           HB1      LEU  74   1.070  -0.742  -2.908
  540    HG   LEU  74           HG       LEU  74  -0.385   1.056  -1.774
  541   HD11  LEU  74          HD11      LEU  74   1.603   0.186  -0.690
  542   HD12  LEU  74          HD12      LEU  74   1.408   1.909  -0.376
  543   HD13  LEU  74          HD13      LEU  74   2.598   1.354  -1.556
  544   HD21  LEU  74          HD21      LEU  74   1.476   2.865  -3.290
  545   HD22  LEU  74          HD22      LEU  74   0.380   3.357  -1.994
  546   HD23  LEU  74          HD23      LEU  74  -0.276   2.737  -3.512
  547    H    LEU  75           HN       LEU  75   2.688  -1.871  -3.764
  548    HA   LEU  75           HA       LEU  75   4.633  -1.614  -1.841
  549    HB2  LEU  75           HB2      LEU  75   3.480  -3.654  -2.337
  550    HB3  LEU  75           HB1      LEU  75   4.108  -3.642  -3.973
  551    HG   LEU  75           HG       LEU  75   6.328  -3.884  -3.052
  552   HD11  LEU  75          HD11      LEU  75   6.571  -4.786  -0.736
  553   HD12  LEU  75          HD12      LEU  75   4.859  -4.454  -0.481
  554   HD13  LEU  75          HD13      LEU  75   5.977  -3.128  -0.785
  555   HD21  LEU  75          HD21      LEU  75   6.114  -6.300  -2.663
  556   HD22  LEU  75          HD22      LEU  75   5.107  -5.703  -4.004
  557   HD23  LEU  75          HD23      LEU  75   4.372  -6.071  -2.445
  558    H    ASP  76           HN       ASP  76   4.864  -1.751  -5.353
  559    HA   ASP  76           HA       ASP  76   7.708  -1.859  -5.421
  560    HB2  ASP  76           HB2      ASP  76   6.299  -2.836  -7.172
  561    HB3  ASP  76           HB1      ASP  76   5.743  -1.231  -7.623
  562    H    LEU  77           HN       LEU  77   5.325   0.695  -5.567
  563    HA   LEU  77           HA       LEU  77   6.994   2.833  -6.318
  564    HB2  LEU  77           HB2      LEU  77   4.674   2.818  -4.394
  565    HB3  LEU  77           HB1      LEU  77   5.407   4.262  -5.054
  566    HG   LEU  77           HG       LEU  77   3.973   2.152  -6.637
  567   HD11  LEU  77          HD11      LEU  77   2.467   3.410  -5.182
  568   HD12  LEU  77          HD12      LEU  77   2.195   3.826  -6.865
  569   HD13  LEU  77          HD13      LEU  77   3.101   4.930  -5.810
  570   HD21  LEU  77          HD21      LEU  77   4.096   3.779  -8.474
  571   HD22  LEU  77          HD22      LEU  77   5.702   3.286  -7.937
  572   HD23  LEU  77          HD23      LEU  77   5.048   4.850  -7.449
  573    H    ILE  78           HN       ILE  78   6.219   1.444  -3.208
  574    HA   ILE  78           HA       ILE  78   7.793   3.037  -1.531
  575    HB   ILE  78           HB       ILE  78   7.102   0.088  -1.259
  576   HG12  ILE  78          HG12      ILE  78   5.125   1.568  -1.403
  577   HG13  ILE  78          HG11      ILE  78   5.256   0.807   0.175
  578   HG21  ILE  78          HG21      ILE  78   7.533   0.328   1.145
  579   HG22  ILE  78          HG22      ILE  78   8.074   1.986   0.878
  580   HG23  ILE  78          HG23      ILE  78   8.987   0.643   0.194
  581   HD11  ILE  78          HD11      ILE  78   4.584   3.126   0.361
  582   HD12  ILE  78          HD12      ILE  78   6.035   3.640  -0.500
  583   HD13  ILE  78          HD13      ILE  78   6.168   2.877   1.087
  584    H    ASN  79           HN       ASN  79   8.509  -0.078  -3.048
  585    HA   ASN  79           HA       ASN  79  11.173  -0.375  -2.233
  586    HB2  ASN  79           HB2      ASN  79   9.893  -1.378  -4.794
  587    HB3  ASN  79           HB1      ASN  79  11.457  -1.890  -4.184
  588   HD21  ASN  79          HD21      ASN  79  10.449  -1.900  -1.387
  589   HD22  ASN  79          HD22      ASN  79   9.488  -3.339  -1.272
  590    H    GLY  80           HN       GLY  80   9.868   1.275  -5.058
  591    HA2  GLY  80           HA2      GLY  80  12.315   1.874  -6.304
  592    HA3  GLY  80           HA1      GLY  80  10.804   2.746  -6.525
  593    H    ALA  81           HN       ALA  81  10.238   3.929  -4.291
  594    HA   ALA  81           HA       ALA  81  11.916   6.158  -4.202
  595    HB1  ALA  81           HB1      ALA  81   9.553   6.209  -3.611
  596    HB2  ALA  81           HB2      ALA  81  10.556   6.916  -2.342
  597    HB3  ALA  81           HB3      ALA  81   9.898   5.289  -2.146
  598    H    LEU  82           HN       LEU  82  11.779   3.330  -2.079
  599    HA   LEU  82           HA       LEU  82  13.399   4.279  -0.025
  600    HB2  LEU  82           HB2      LEU  82  11.929   2.373   0.192
  601    HB3  LEU  82           HB1      LEU  82  12.840   1.496  -1.029
  602    HG   LEU  82           HG       LEU  82  14.743   1.496   0.438
  603   HD11  LEU  82          HD11      LEU  82  12.853   2.676   2.486
  604   HD12  LEU  82          HD12      LEU  82  14.273   3.466   1.804
  605   HD13  LEU  82          HD13      LEU  82  14.461   2.050   2.846
  606   HD21  LEU  82          HD21      LEU  82  13.904  -0.206   2.009
  607   HD22  LEU  82          HD22      LEU  82  13.240  -0.407   0.388
  608   HD23  LEU  82          HD23      LEU  82  12.258   0.322   1.658
  609    H    ALA  83           HN       ALA  83  14.130   2.510  -3.004
  610    HA   ALA  83           HA       ALA  83  16.872   2.192  -2.338
  611    HB1  ALA  83           HB1      ALA  83  17.147   1.270  -4.571
  612    HB2  ALA  83           HB2      ALA  83  15.516   1.777  -5.017
  613    HB3  ALA  83           HB3      ALA  83  15.755   0.568  -3.759
  614    H    GLU  84           HN       GLU  84  15.076   4.803  -3.788
  615    HA   GLU  84           HA       GLU  84  17.398   5.969  -4.958
  616    HB2  GLU  84           HB2      GLU  84  14.616   7.013  -4.448
  617    HB3  GLU  84           HB1      GLU  84  15.874   7.881  -5.297
  618    HG2  GLU  84           HG2      GLU  84  15.921   6.033  -6.976
  619    HG3  GLU  84           HG1      GLU  84  14.559   5.315  -6.118
  620    H    ALA  85           HN       ALA  85  15.513   6.196  -2.017
  621    HA   ALA  85           HA       ALA  85  16.745   8.543  -0.994
  622    HB1  ALA  85           HB1      ALA  85  15.633   7.988   1.098
  623    HB2  ALA  85           HB2      ALA  85  15.258   6.380   0.485
  624    HB3  ALA  85           HB3      ALA  85  14.524   7.800  -0.263
  625    H    ALA  86           HN       ALA  86  17.198   5.070  -0.142
  626    HA   ALA  86           HA       ALA  86  19.774   5.874   0.992
  627    HB1  ALA  86           HB1      ALA  86  18.199   5.119   2.734
  628    HB2  ALA  86           HB2      ALA  86  19.573   4.023   2.571
  629    HB3  ALA  86           HB3      ALA  86  18.008   3.586   1.879
  630   H28A  SDO 101          H28A      SDO  42 -12.668  10.757   0.439
  631   H28B  SDO 101          H28B      SDO  42 -10.992  10.228   0.377
  632   H30A  SDO 101          H30A      SDO  42 -10.052  12.463   1.519
  633   H30B  SDO 101          H30B      SDO  42 -11.707  12.045   1.801
  634   H30C  SDO 101          H30C      SDO  42 -11.345  13.697   1.472
  635   H31A  SDO 101          H31A      SDO  42 -10.220  11.830  -1.967
  636   H31B  SDO 101          H31B      SDO  42  -9.206  11.884  -0.489
  637   H31C  SDO 101          H31C      SDO  42  -9.851  13.375  -1.232
  638   H32A  SDO 101          H32A      SDO  42 -13.249  13.219  -0.288
  639   H33A  SDO 101          H33A      SDO  42 -13.074  13.519  -2.654
  640   H36A  SDO 101          H36A      SDO  42 -10.466  14.688   0.111
  641   H37A  SDO 101          H37A      SDO  42 -10.339  16.873  -1.663
  642   H37B  SDO 101          H37B      SDO  42 -11.307  17.290  -0.262
  643   H38A  SDO 101          H38A      SDO  42  -8.442  16.342  -0.227
  644   H38B  SDO 101          H38B      SDO  42  -9.021  17.975   0.120
  645   H41A  SDO 101          H41A      SDO  42 -11.339  16.441   1.607
  646   H42A  SDO 101          H42A      SDO  42 -10.159  15.117   3.778
  647   H42B  SDO 101          H42B      SDO  42 -10.619  16.775   4.224
  648   H43A  SDO 101          H43A      SDO  42 -12.401  14.759   2.902
  649   H43B  SDO 101          H43B      SDO  42 -12.925  16.261   3.645
  650    H1A  SDO 101           H1A      SDO  42 -11.657  14.690   7.395
  651    H1B  SDO 101           H1B      SDO  42 -11.237  13.204   6.587
  652    H2A  SDO 101           H2A      SDO  42 -10.063  15.892   6.011
  653    H2B  SDO 101           H2B      SDO  42  -9.605  14.395   5.243
  654    H4A  SDO 101           H4A      SDO  42  -8.537  14.562   9.368
  655    H4B  SDO 101           H4B      SDO  42  -8.130  13.059   8.589
  656    H5A  SDO 101           H5A      SDO  42 -10.517  12.555   8.286
  657    H5B  SDO 101           H5B      SDO  42 -10.909  14.018   9.187
  658    H6A  SDO 101           H6A      SDO  42  -9.688  13.162  11.124
  659    H6B  SDO 101           H6B      SDO  42  -9.266  11.706  10.230
  660    H8A  SDO 101           H8A      SDO  42 -12.954  10.936   9.786
  661    H8B  SDO 101           H8B      SDO  42 -12.350  12.459   9.125
  662    H8C  SDO 101           H8C      SDO  42 -13.324  12.463  10.597
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  20.666  -7.901   2.630
    2    H2   MET   1           HT2      MET   1  19.052  -7.754   2.165
    3    H3   MET   1           HT3      MET   1  19.602  -9.199   2.836
    4    HA   MET   1           HA       MET   1  18.334  -7.909   4.429
    5    HB2  MET   1           HB2      MET   1  20.238  -9.280   5.242
    6    HB3  MET   1           HB1      MET   1  21.315  -7.903   5.031
    7    HG2  MET   1           HG2      MET   1  20.082  -6.686   6.745
    8    HG3  MET   1           HG1      MET   1  18.995  -8.059   6.940
    9    HE1  MET   1           HE1      MET   1  21.496 -10.829   8.247
   10    HE2  MET   1           HE2      MET   1  21.112 -10.469   6.563
   11    HE3  MET   1           HE3      MET   1  19.833 -10.480   7.778
   12    H    ALA   2           HN       ALA   2  17.466  -5.986   4.021
   13    HA   ALA   2           HA       ALA   2  19.058  -3.612   4.560
   14    HB1  ALA   2           HB1      ALA   2  19.314  -3.927   2.153
   15    HB2  ALA   2           HB2      ALA   2  18.383  -2.472   2.510
   16    HB3  ALA   2           HB3      ALA   2  17.561  -3.943   1.966
   17    H    THR   3           HN       THR   3  16.391  -5.345   5.165
   18    HA   THR   3           HA       THR   3  14.317  -5.023   5.843
   19    HB   THR   3           HB       THR   3  15.120  -2.145   6.469
   20    HG1  THR   3           HG1      THR   3  15.969  -4.572   7.454
   21   HG21  THR   3          HG21      THR   3  13.181  -4.063   7.804
   22   HG22  THR   3          HG22      THR   3  12.725  -2.698   6.784
   23   HG23  THR   3          HG23      THR   3  13.514  -2.411   8.329
   24    H    LEU   4           HN       LEU   4  14.294  -5.176   3.378
   25    HA   LEU   4           HA       LEU   4  12.940  -2.904   2.139
   26    HB2  LEU   4           HB2      LEU   4  14.837  -4.014   0.942
   27    HB3  LEU   4           HB1      LEU   4  13.950  -5.519   0.993
   28    HG   LEU   4           HG       LEU   4  12.201  -4.504  -0.452
   29   HD11  LEU   4          HD11      LEU   4  12.564  -2.162   0.144
   30   HD12  LEU   4          HD12      LEU   4  12.650  -2.416  -1.595
   31   HD13  LEU   4          HD13      LEU   4  14.129  -2.195  -0.664
   32   HD21  LEU   4          HD21      LEU   4  13.538  -4.542  -2.504
   33   HD22  LEU   4          HD22      LEU   4  13.995  -5.850  -1.418
   34   HD23  LEU   4          HD23      LEU   4  15.012  -4.416  -1.544
   35    H    LEU   5           HN       LEU   5  10.815  -2.995   1.894
   36    HA   LEU   5           HA       LEU   5   9.241  -4.895   3.212
   37    HB2  LEU   5           HB2      LEU   5   8.481  -2.893   1.115
   38    HB3  LEU   5           HB1      LEU   5   7.305  -3.848   1.971
   39    HG   LEU   5           HG       LEU   5   9.134  -1.742   3.117
   40   HD11  LEU   5          HD11      LEU   5   6.143  -1.948   2.949
   41   HD12  LEU   5          HD12      LEU   5   7.165  -0.970   1.896
   42   HD13  LEU   5          HD13      LEU   5   7.067  -0.598   3.622
   43   HD21  LEU   5          HD21      LEU   5   8.052  -2.196   5.248
   44   HD22  LEU   5          HD22      LEU   5   8.946  -3.604   4.677
   45   HD23  LEU   5          HD23      LEU   5   7.187  -3.552   4.524
   46    H    THR   6           HN       THR   6   8.864  -6.875   2.720
   47    HA   THR   6           HA       THR   6   8.861  -7.688  -0.067
   48    HB   THR   6           HB       THR   6   8.860 -10.018   0.840
   49    HG1  THR   6           HG1      THR   6   8.917  -8.659   3.366
   50   HG21  THR   6          HG21      THR   6  11.150  -9.995   1.738
   51   HG22  THR   6          HG22      THR   6  11.038  -8.249   1.968
   52   HG23  THR   6          HG23      THR   6  11.002  -8.931   0.339
   53    H    THR   7           HN       THR   7   7.134  -9.809  -0.083
   54    HA   THR   7           HA       THR   7   4.600  -8.512  -0.122
   55    HB   THR   7           HB       THR   7   5.009 -11.499  -0.280
   56    HG1  THR   7           HG1      THR   7   5.987  -9.502  -2.043
   57   HG21  THR   7          HG21      THR   7   2.706 -10.628  -0.448
   58   HG22  THR   7          HG22      THR   7   3.232 -11.332  -1.981
   59   HG23  THR   7          HG23      THR   7   3.196  -9.588  -1.788
   60    H    ASP   8           HN       ASP   8   6.417 -10.105   2.248
   61    HA   ASP   8           HA       ASP   8   4.254 -11.168   3.815
   62    HB2  ASP   8           HB2      ASP   8   6.534 -12.180   3.788
   63    HB3  ASP   8           HB1      ASP   8   7.155 -10.728   4.560
   64    H    ASP   9           HN       ASP   9   6.507  -8.465   3.987
   65    HA   ASP   9           HA       ASP   9   5.609  -7.276   6.387
   66    HB2  ASP   9           HB2      ASP   9   6.803  -5.870   3.988
   67    HB3  ASP   9           HB1      ASP   9   6.720  -5.249   5.617
   68    H    LEU  10           HN       LEU  10   4.856  -6.699   2.992
   69    HA   LEU  10           HA       LEU  10   3.125  -4.529   3.296
   70    HB2  LEU  10           HB2      LEU  10   4.072  -5.209   1.138
   71    HB3  LEU  10           HB1      LEU  10   3.077  -6.652   1.167
   72    HG   LEU  10           HG       LEU  10   1.060  -5.162   1.215
   73   HD11  LEU  10          HD11      LEU  10   3.051  -3.023   0.536
   74   HD12  LEU  10          HD12      LEU  10   2.051  -3.127   1.983
   75   HD13  LEU  10          HD13      LEU  10   1.297  -2.864   0.409
   76   HD21  LEU  10          HD21      LEU  10   1.751  -6.303  -0.809
   77   HD22  LEU  10          HD22      LEU  10   2.859  -4.991  -1.201
   78   HD23  LEU  10          HD23      LEU  10   1.120  -4.704  -1.198
   79    H    ARG  11           HN       ARG  11   2.505  -7.986   3.416
   80    HA   ARG  11           HA       ARG  11  -0.275  -7.938   3.227
   81    HB2  ARG  11           HB2      ARG  11   1.102  -9.982   3.094
   82    HB3  ARG  11           HB1      ARG  11   1.416  -9.865   4.820
   83    HG2  ARG  11           HG2      ARG  11  -0.947 -10.215   5.294
   84    HG3  ARG  11           HG1      ARG  11  -1.306 -10.252   3.564
   85    HD2  ARG  11           HD2      ARG  11  -1.184 -12.516   4.395
   86    HD3  ARG  11           HD1      ARG  11   0.178 -12.207   3.327
   87    HE   ARG  11           HE       ARG  11   0.275 -12.273   6.255
   88   HH11  ARG  11          HH11      ARG  11   1.912 -12.650   3.125
   89   HH12  ARG  11          HH12      ARG  11   3.376 -13.240   3.778
   90   HH21  ARG  11          HH21      ARG  11   2.270 -13.113   7.151
   91   HH22  ARG  11          HH22      ARG  11   3.625 -13.367   6.127
   92    H    ARG  12           HN       ARG  12   1.806  -7.815   6.038
   93    HA   ARG  12           HA       ARG  12  -0.167  -7.792   8.052
   94    HB2  ARG  12           HB2      ARG  12   2.435  -6.279   8.180
   95    HB3  ARG  12           HB1      ARG  12   1.534  -6.979   9.513
   96    HG2  ARG  12           HG2      ARG  12   2.106  -9.207   8.756
   97    HG3  ARG  12           HG1      ARG  12   2.955  -8.534   7.360
   98    HD2  ARG  12           HD2      ARG  12   4.318  -7.212   9.076
   99    HD3  ARG  12           HD1      ARG  12   3.652  -8.324  10.266
  100    HE   ARG  12           HE       ARG  12   4.716  -9.860   8.230
  101   HH11  ARG  12          HH11      ARG  12   5.883  -7.590  10.685
  102   HH12  ARG  12          HH12      ARG  12   7.472  -8.205  10.722
  103   HH21  ARG  12          HH21      ARG  12   6.869 -10.637   8.195
  104   HH22  ARG  12          HH22      ARG  12   8.084  -9.969   9.210
  105    H    ALA  13           HN       ALA  13   1.577  -5.187   6.470
  106    HA   ALA  13           HA       ALA  13   0.336  -3.070   7.834
  107    HB1  ALA  13           HB1      ALA  13   1.725  -2.994   5.161
  108    HB2  ALA  13           HB2      ALA  13   2.511  -2.842   6.738
  109    HB3  ALA  13           HB3      ALA  13   1.380  -1.603   6.194
  110    H    LEU  14           HN       LEU  14  -0.456  -4.565   4.712
  111    HA   LEU  14           HA       LEU  14  -2.398  -2.609   4.072
  112    HB2  LEU  14           HB2      LEU  14  -1.169  -4.067   2.447
  113    HB3  LEU  14           HB1      LEU  14  -2.175  -5.403   2.981
  114    HG   LEU  14           HG       LEU  14  -4.165  -4.145   2.202
  115   HD11  LEU  14          HD11      LEU  14  -3.846  -2.238   0.711
  116   HD12  LEU  14          HD12      LEU  14  -2.116  -2.268   1.021
  117   HD13  LEU  14          HD13      LEU  14  -3.238  -1.882   2.329
  118   HD21  LEU  14          HD21      LEU  14  -3.125  -5.842   0.821
  119   HD22  LEU  14          HD22      LEU  14  -2.026  -4.640   0.142
  120   HD23  LEU  14          HD23      LEU  14  -3.755  -4.531  -0.174
  121    H    VAL  15           HN       VAL  15  -2.456  -5.362   6.093
  122    HA   VAL  15           HA       VAL  15  -5.335  -5.596   6.159
  123    HB   VAL  15           HB       VAL  15  -3.152  -6.719   7.958
  124   HG11  VAL  15          HG11      VAL  15  -6.121  -7.345   7.978
  125   HG12  VAL  15          HG12      VAL  15  -5.261  -6.446   9.226
  126   HG13  VAL  15          HG13      VAL  15  -4.894  -8.156   8.953
  127   HG21  VAL  15          HG21      VAL  15  -3.179  -7.695   5.733
  128   HG22  VAL  15          HG22      VAL  15  -4.904  -8.023   5.875
  129   HG23  VAL  15          HG23      VAL  15  -3.761  -8.867   6.915
  130    H    GLU  16           HN       GLU  16  -2.813  -4.478   8.381
  131    HA   GLU  16           HA       GLU  16  -4.473  -3.457  10.375
  132    HB2  GLU  16           HB2      GLU  16  -1.704  -2.500   9.658
  133    HB3  GLU  16           HB1      GLU  16  -2.508  -2.281  11.203
  134    HG2  GLU  16           HG2      GLU  16  -2.556  -4.730  11.481
  135    HG3  GLU  16           HG1      GLU  16  -1.656  -4.893   9.981
  136    H    SER  17           HN       SER  17  -3.462  -1.955   7.361
  137    HA   SER  17           HA       SER  17  -4.311   0.662   8.202
  138    HB2  SER  17           HB2      SER  17  -3.571  -0.313   5.437
  139    HB3  SER  17           HB1      SER  17  -3.691   1.368   5.959
  140    HG   SER  17           HG       SER  17  -1.819  -0.587   6.586
  141    H    ALA  18           HN       ALA  18  -5.881  -2.081   6.974
  142    HA   ALA  18           HA       ALA  18  -7.982  -0.652   5.599
  143    HB1  ALA  18           HB1      ALA  18  -9.035  -2.877   5.389
  144    HB2  ALA  18           HB2      ALA  18  -7.751  -3.571   6.385
  145    HB3  ALA  18           HB3      ALA  18  -7.371  -2.879   4.805
  146    H    GLY  19           HN       GLY  19  -7.999  -2.939   8.269
  147    HA2  GLY  19           HA2      GLY  19  -9.038  -2.993  10.294
  148    HA3  GLY  19           HA1      GLY  19  -8.957  -1.250  10.255
  149    H    GLU  20           HN       GLU  20 -10.767  -0.174   9.021
  150    HA   GLU  20           HA       GLU  20 -13.228  -1.368  10.099
  151    HB2  GLU  20           HB2      GLU  20 -14.033   0.980  10.260
  152    HB3  GLU  20           HB1      GLU  20 -12.662   0.610  11.289
  153    HG2  GLU  20           HG2      GLU  20 -11.161   1.727   9.729
  154    HG3  GLU  20           HG1      GLU  20 -12.525   2.047   8.648
  155    H    THR  21           HN       THR  21 -12.029  -1.590   7.357
  156    HA   THR  21           HA       THR  21 -14.364  -0.604   5.914
  157    HB   THR  21           HB       THR  21 -12.162   0.167   5.104
  158    HG1  THR  21           HG1      THR  21 -12.533  -0.506   2.831
  159   HG21  THR  21          HG21      THR  21 -11.645  -2.748   4.486
  160   HG22  THR  21          HG22      THR  21 -10.771  -1.750   5.646
  161   HG23  THR  21          HG23      THR  21 -10.638  -1.414   3.917
  162    H    ASP  22           HN       ASP  22 -13.892  -2.609   3.765
  163    HA   ASP  22           HA       ASP  22 -15.367  -4.770   4.933
  164    HB2  ASP  22           HB2      ASP  22 -15.647  -4.206   2.577
  165    HB3  ASP  22           HB1      ASP  22 -13.990  -4.707   2.235
  166    H    GLY  23           HN       GLY  23 -14.635  -6.346   6.050
  167    HA2  GLY  23           HA2      GLY  23 -11.789  -6.645   6.262
  168    HA3  GLY  23           HA1      GLY  23 -12.969  -7.436   7.316
  169    H    THR  24           HN       THR  24 -11.751  -7.399   4.061
  170    HA   THR  24           HA       THR  24 -12.686 -10.022   3.449
  171    HB   THR  24           HB       THR  24 -12.586  -8.324   1.713
  172    HG1  THR  24           HG1      THR  24 -11.714  -9.504   0.117
  173   HG21  THR  24          HG21      THR  24 -10.444  -7.494   0.813
  174   HG22  THR  24          HG22      THR  24  -9.588  -8.343   2.100
  175   HG23  THR  24          HG23      THR  24 -10.695  -7.029   2.499
  176    H    ASP  25           HN       ASP  25 -10.532 -11.152   2.057
  177    HA   ASP  25           HA       ASP  25  -8.681 -11.702   4.269
  178    HB2  ASP  25           HB2      ASP  25 -10.205 -13.566   4.111
  179    HB3  ASP  25           HB1      ASP  25  -9.821 -13.769   2.398
  180    H    LEU  26           HN       LEU  26  -6.757 -11.253   3.855
  181    HA   LEU  26           HA       LEU  26  -5.694 -11.271   1.111
  182    HB2  LEU  26           HB2      LEU  26  -4.795  -9.900   3.657
  183    HB3  LEU  26           HB1      LEU  26  -3.789  -9.999   2.238
  184    HG   LEU  26           HG       LEU  26  -5.475  -8.636   0.999
  185   HD11  LEU  26          HD11      LEU  26  -7.468  -9.195   2.298
  186   HD12  LEU  26          HD12      LEU  26  -7.212  -7.456   2.176
  187   HD13  LEU  26          HD13      LEU  26  -6.810  -8.304   3.677
  188   HD21  LEU  26          HD21      LEU  26  -3.542  -7.619   2.049
  189   HD22  LEU  26          HD22      LEU  26  -4.461  -7.419   3.549
  190   HD23  LEU  26          HD23      LEU  26  -4.945  -6.546   2.095
  191    H    SER  27           HN       SER  27  -6.038 -13.662   3.028
  192    HA   SER  27           HA       SER  27  -3.265 -14.207   3.716
  193    HB2  SER  27           HB2      SER  27  -5.676 -15.872   4.423
  194    HB3  SER  27           HB1      SER  27  -4.117 -15.824   5.246
  195    HG   SER  27           HG       SER  27  -6.299 -14.156   5.370
  196    H    GLY  28           HN       GLY  28  -4.941 -14.550   1.082
  197    HA2  GLY  28           HA2      GLY  28  -3.614 -17.075   0.352
  198    HA3  GLY  28           HA1      GLY  28  -5.322 -16.869  -0.023
  199    H    ASP  29           HN       ASP  29  -2.449 -14.863  -0.240
  200    HA   ASP  29           HA       ASP  29  -1.633 -13.482  -1.782
  201    HB2  ASP  29           HB2      ASP  29  -1.379 -15.195  -3.408
  202    HB3  ASP  29           HB1      ASP  29  -3.107 -15.259  -3.721
  203    H    PHE  30           HN       PHE  30  -1.967 -11.574  -2.105
  204    HA   PHE  30           HA       PHE  30  -4.645 -10.524  -2.717
  205    HB2  PHE  30           HB2      PHE  30  -4.347  -8.837  -0.956
  206    HB3  PHE  30           HB1      PHE  30  -4.238 -10.450  -0.258
  207    HD1  PHE  30           HD2      PHE  30  -1.986 -11.380   0.358
  208    HD2  PHE  30           HD1      PHE  30  -2.519  -7.344  -0.849
  209    HE1  PHE  30           HE2      PHE  30   0.231 -10.825   1.226
  210    HE2  PHE  30           HE1      PHE  30  -0.295  -6.780   0.028
  211    HZ   PHE  30           HZ       PHE  30   1.083  -8.528   1.063
  212    H    LEU  31           HN       LEU  31  -1.615 -10.889  -3.770
  213    HA   LEU  31           HA       LEU  31  -0.674  -8.161  -3.877
  214    HB2  LEU  31           HB2      LEU  31   0.713 -10.311  -3.638
  215    HB3  LEU  31           HB1      LEU  31   0.422 -10.553  -5.340
  216    HG   LEU  31           HG       LEU  31   1.535  -8.372  -5.785
  217   HD11  LEU  31          HD11      LEU  31   2.217  -8.520  -2.843
  218   HD12  LEU  31          HD12      LEU  31   1.162  -7.337  -3.607
  219   HD13  LEU  31          HD13      LEU  31   2.878  -7.365  -4.003
  220   HD21  LEU  31          HD21      LEU  31   3.167 -10.415  -4.280
  221   HD22  LEU  31          HD22      LEU  31   3.798  -9.208  -5.410
  222   HD23  LEU  31          HD23      LEU  31   2.732 -10.489  -5.986
  223    H    ASP  32           HN       ASP  32  -2.266 -10.465  -5.897
  224    HA   ASP  32           HA       ASP  32  -2.181  -8.736  -8.263
  225    HB2  ASP  32           HB2      ASP  32  -1.690 -11.138  -8.497
  226    HB3  ASP  32           HB1      ASP  32  -3.278 -11.534  -7.853
  227    H    LEU  33           HN       LEU  33  -3.976  -8.949  -5.564
  228    HA   LEU  33           HA       LEU  33  -6.612  -8.959  -6.750
  229    HB2  LEU  33           HB2      LEU  33  -5.954  -9.963  -4.472
  230    HB3  LEU  33           HB1      LEU  33  -5.921  -8.319  -3.879
  231    HG   LEU  33           HG       LEU  33  -8.313  -8.074  -4.301
  232   HD11  LEU  33          HD11      LEU  33  -8.446  -9.495  -6.305
  233   HD12  LEU  33          HD12      LEU  33  -9.637  -9.976  -5.092
  234   HD13  LEU  33          HD13      LEU  33  -8.161 -10.922  -5.304
  235   HD21  LEU  33          HD21      LEU  33  -9.127  -9.697  -2.678
  236   HD22  LEU  33          HD22      LEU  33  -7.565  -9.051  -2.172
  237   HD23  LEU  33          HD23      LEU  33  -7.665 -10.659  -2.886
  238    H    ARG  34           HN       ARG  34  -8.101  -7.082  -6.421
  239    HA   ARG  34           HA       ARG  34  -6.590  -4.692  -7.181
  240    HB2  ARG  34           HB2      ARG  34  -9.568  -5.168  -7.430
  241    HB3  ARG  34           HB1      ARG  34  -8.615  -3.952  -8.264
  242    HG2  ARG  34           HG2      ARG  34  -8.441  -6.941  -8.689
  243    HG3  ARG  34           HG1      ARG  34  -9.218  -5.781  -9.767
  244    HD2  ARG  34           HD2      ARG  34  -7.122  -4.760 -10.285
  245    HD3  ARG  34           HD1      ARG  34  -6.308  -5.677  -9.018
  246    HE   ARG  34           HE       ARG  34  -7.293  -7.604 -10.646
  247   HH11  ARG  34          HH11      ARG  34  -5.362  -4.715 -11.373
  248   HH12  ARG  34          HH12      ARG  34  -4.412  -5.499 -12.557
  249   HH21  ARG  34          HH21      ARG  34  -5.980  -8.638 -12.251
  250   HH22  ARG  34          HH22      ARG  34  -4.735  -7.775 -13.054
  251    H    PHE  35           HN       PHE  35  -6.956  -2.621  -6.198
  252    HA   PHE  35           HA       PHE  35  -7.562  -2.676  -3.465
  253    HB2  PHE  35           HB2      PHE  35  -7.229  -0.355  -5.350
  254    HB3  PHE  35           HB1      PHE  35  -7.729  -0.087  -3.685
  255    HD1  PHE  35           HD2      PHE  35  -6.173  -1.438  -1.932
  256    HD2  PHE  35           HD1      PHE  35  -5.021  -0.133  -5.803
  257    HE1  PHE  35           HE2      PHE  35  -3.819  -1.509  -1.254
  258    HE2  PHE  35           HE1      PHE  35  -2.665  -0.206  -5.138
  259    HZ   PHE  35           HZ       PHE  35  -2.088  -0.805  -2.738
  260    H    GLU  36           HN       GLU  36  -9.688  -1.909  -6.161
  261    HA   GLU  36           HA       GLU  36 -11.843  -0.976  -4.589
  262    HB2  GLU  36           HB2      GLU  36 -11.967  -2.349  -7.279
  263    HB3  GLU  36           HB1      GLU  36 -13.234  -1.364  -6.550
  264    HG2  GLU  36           HG2      GLU  36 -11.713   0.579  -6.653
  265    HG3  GLU  36           HG1      GLU  36 -10.523  -0.427  -7.477
  266    H    ASP  37           HN       ASP  37 -10.589  -4.091  -5.166
  267    HA   ASP  37           HA       ASP  37 -13.005  -5.558  -4.545
  268    HB2  ASP  37           HB2      ASP  37 -11.178  -6.417  -6.066
  269    HB3  ASP  37           HB1      ASP  37 -10.149  -6.559  -4.657
  270    H    ILE  38           HN       ILE  38  -9.907  -4.809  -2.990
  271    HA   ILE  38           HA       ILE  38 -10.719  -6.055  -0.518
  272    HB   ILE  38           HB       ILE  38  -8.535  -5.245   0.406
  273   HG12  ILE  38          HG12      ILE  38  -8.069  -4.335  -2.445
  274   HG13  ILE  38          HG11      ILE  38  -8.224  -3.284  -1.041
  275   HG21  ILE  38          HG21      ILE  38  -8.417  -6.877  -2.114
  276   HG22  ILE  38          HG22      ILE  38  -8.781  -7.464  -0.488
  277   HG23  ILE  38          HG23      ILE  38  -7.181  -6.829  -0.855
  278   HD11  ILE  38          HD11      ILE  38  -6.173  -4.230  -0.115
  279   HD12  ILE  38          HD12      ILE  38  -5.904  -3.543  -1.719
  280   HD13  ILE  38          HD13      ILE  38  -6.027  -5.291  -1.516
  281    H    GLY  39           HN       GLY  39 -12.053  -3.618  -1.557
  282    HA2  GLY  39           HA2      GLY  39 -13.252  -1.912  -0.610
  283    HA3  GLY  39           HA1      GLY  39 -12.814  -2.597   0.938
  284    H    TYR  40           HN       TYR  40 -10.420  -1.332  -1.350
  285    HA   TYR  40           HA       TYR  40  -9.867   0.601   0.682
  286    HB2  TYR  40           HB2      TYR  40  -8.070  -0.352  -1.553
  287    HB3  TYR  40           HB1      TYR  40  -7.901   1.265  -0.931
  288    HD1  TYR  40           HD2      TYR  40  -8.306  -2.188   0.443
  289    HD2  TYR  40           HD1      TYR  40  -6.551   1.661   0.787
  290    HE1  TYR  40           HE2      TYR  40  -7.082  -2.929   2.446
  291    HE2  TYR  40           HE1      TYR  40  -5.345   0.949   2.780
  292    HH   TYR  40           HH       TYR  40  -5.192  -2.325   3.822
  293    H    ASP  41           HN       ASP  41 -10.473   2.414   0.802
  294    HA   ASP  41           HA       ASP  41 -11.717   3.767  -1.466
  295    HB2  ASP  41           HB2      ASP  41 -12.819   3.379   0.864
  296    HB3  ASP  41           HB1      ASP  41 -11.720   4.629   1.428
  297    H    SER  42           HN       SER  42 -11.308   6.362  -0.879
  298    HA   SER  42           HA       SER  42  -8.741   6.834  -1.861
  299    HB2  SER  42           HB2      SER  42 -10.665   8.683  -0.504
  300    HB3  SER  42           HB1      SER  42  -9.222   9.182  -1.377
  301    H    LEU  43           HN       LEU  43 -10.003   7.889   1.327
  302    HA   LEU  43           HA       LEU  43  -7.514   8.678   2.290
  303    HB2  LEU  43           HB2      LEU  43 -10.002   7.921   3.798
  304    HB3  LEU  43           HB1      LEU  43  -8.570   8.595   4.556
  305    HG   LEU  43           HG       LEU  43 -10.266   9.969   2.473
  306   HD11  LEU  43          HD11      LEU  43  -9.983  10.442   5.434
  307   HD12  LEU  43          HD12      LEU  43 -11.394   9.778   4.610
  308   HD13  LEU  43          HD13      LEU  43 -10.899  11.445   4.309
  309   HD21  LEU  43          HD21      LEU  43  -8.894  11.947   3.025
  310   HD22  LEU  43          HD22      LEU  43  -7.954  10.639   2.308
  311   HD23  LEU  43          HD23      LEU  43  -7.876  10.917   4.046
  312    H    ALA  44           HN       ALA  44  -9.025   5.585   2.342
  313    HA   ALA  44           HA       ALA  44  -7.452   4.367   4.315
  314    HB1  ALA  44           HB1      ALA  44  -8.130   2.232   3.290
  315    HB2  ALA  44           HB2      ALA  44  -8.753   3.120   1.895
  316    HB3  ALA  44           HB3      ALA  44  -9.496   3.335   3.483
  317    H    LEU  45           HN       LEU  45  -6.971   4.806   0.856
  318    HA   LEU  45           HA       LEU  45  -4.599   3.280   0.524
  319    HB2  LEU  45           HB2      LEU  45  -6.209   4.348  -1.238
  320    HB3  LEU  45           HB1      LEU  45  -5.294   5.811  -0.981
  321    HG   LEU  45           HG       LEU  45  -4.423   4.966  -2.959
  322   HD11  LEU  45          HD11      LEU  45  -2.589   5.493  -1.542
  323   HD12  LEU  45          HD12      LEU  45  -2.208   4.104  -2.588
  324   HD13  LEU  45          HD13      LEU  45  -2.643   3.843  -0.899
  325   HD21  LEU  45          HD21      LEU  45  -3.785   2.781  -3.423
  326   HD22  LEU  45          HD22      LEU  45  -5.502   2.809  -2.963
  327   HD23  LEU  45          HD23      LEU  45  -4.258   2.205  -1.824
  328    H    MET  46           HN       MET  46  -5.261   6.678   1.249
  329    HA   MET  46           HA       MET  46  -2.592   7.681   1.196
  330    HB2  MET  46           HB2      MET  46  -4.724   8.854   2.966
  331    HB3  MET  46           HB1      MET  46  -3.440   9.682   2.092
  332    HG2  MET  46           HG2      MET  46  -4.625   8.925  -0.006
  333    HG3  MET  46           HG1      MET  46  -5.899   8.422   1.115
  334    HE1  MET  46           HE1      MET  46  -4.601  12.845   0.700
  335    HE2  MET  46           HE2      MET  46  -3.850  11.531  -0.209
  336    HE3  MET  46           HE3      MET  46  -3.647  11.620   1.535
  337    H    GLU  47           HN       GLU  47  -4.690   6.596   3.736
  338    HA   GLU  47           HA       GLU  47  -3.084   6.973   5.947
  339    HB2  GLU  47           HB2      GLU  47  -5.461   5.810   5.130
  340    HB3  GLU  47           HB1      GLU  47  -4.718   4.661   6.273
  341    HG2  GLU  47           HG2      GLU  47  -6.241   6.220   7.426
  342    HG3  GLU  47           HG1      GLU  47  -4.576   6.531   7.906
  343    H    THR  48           HN       THR  48  -3.447   4.120   3.863
  344    HA   THR  48           HA       THR  48  -1.619   2.379   5.039
  345    HB   THR  48           HB       THR  48  -2.295   2.790   2.108
  346    HG1  THR  48           HG1      THR  48  -4.140   2.305   3.360
  347   HG21  THR  48          HG21      THR  48  -0.270   1.404   2.424
  348   HG22  THR  48          HG22      THR  48  -1.623   0.509   1.740
  349   HG23  THR  48          HG23      THR  48  -1.198   0.296   3.447
  350    H    ALA  49           HN       ALA  49  -1.134   4.630   2.334
  351    HA   ALA  49           HA       ALA  49   1.560   4.248   1.904
  352    HB1  ALA  49           HB1      ALA  49  -0.024   6.785   1.489
  353    HB2  ALA  49           HB2      ALA  49   0.104   5.440   0.352
  354    HB3  ALA  49           HB3      ALA  49   1.529   6.403   0.740
  355    H    ALA  50           HN       ALA  50  -0.038   6.732   3.932
  356    HA   ALA  50           HA       ALA  50   2.243   8.115   4.759
  357    HB1  ALA  50           HB1      ALA  50  -0.057   8.936   5.020
  358    HB2  ALA  50           HB2      ALA  50   0.864   9.048   6.516
  359    HB3  ALA  50           HB3      ALA  50  -0.325   7.760   6.304
  360    H    ARG  51           HN       ARG  51   0.765   5.243   6.097
  361    HA   ARG  51           HA       ARG  51   2.310   5.173   8.461
  362    HB2  ARG  51           HB2      ARG  51   0.197   3.967   8.352
  363    HB3  ARG  51           HB1      ARG  51   0.750   3.019   6.991
  364    HG2  ARG  51           HG2      ARG  51   2.171   2.782   9.606
  365    HG3  ARG  51           HG1      ARG  51   0.602   2.003   9.413
  366    HD2  ARG  51           HD2      ARG  51   1.465   0.801   7.434
  367    HD3  ARG  51           HD1      ARG  51   3.014   1.605   7.657
  368    HE   ARG  51           HE       ARG  51   3.549   0.119   9.279
  369   HH11  ARG  51          HH11      ARG  51  -0.028  -0.145   8.913
  370   HH12  ARG  51          HH12      ARG  51  -0.078  -1.606   9.774
  371   HH21  ARG  51          HH21      ARG  51   3.325  -1.936  10.456
  372   HH22  ARG  51          HH22      ARG  51   1.754  -2.604  10.612
  373    H    LEU  52           HN       LEU  52   2.898   4.123   5.234
  374    HA   LEU  52           HA       LEU  52   5.311   2.681   5.946
  375    HB2  LEU  52           HB2      LEU  52   4.249   3.458   3.220
  376    HB3  LEU  52           HB1      LEU  52   5.578   2.362   3.522
  377    HG   LEU  52           HG       LEU  52   2.695   1.879   4.302
  378   HD11  LEU  52          HD11      LEU  52   4.352   0.608   2.141
  379   HD12  LEU  52          HD12      LEU  52   3.043   1.771   1.917
  380   HD13  LEU  52          HD13      LEU  52   2.701   0.178   2.599
  381   HD21  LEU  52          HD21      LEU  52   3.446  -0.401   4.862
  382   HD22  LEU  52          HD22      LEU  52   4.222   0.813   5.877
  383   HD23  LEU  52          HD23      LEU  52   5.111   0.083   4.537
  384    H    GLU  53           HN       GLU  53   4.418   5.770   4.467
  385    HA   GLU  53           HA       GLU  53   6.880   6.776   3.680
  386    HB2  GLU  53           HB2      GLU  53   4.618   8.338   4.933
  387    HB3  GLU  53           HB1      GLU  53   5.960   9.017   4.043
  388    HG2  GLU  53           HG2      GLU  53   5.181   7.909   2.022
  389    HG3  GLU  53           HG1      GLU  53   3.835   7.204   2.920
  390    H    SER  54           HN       SER  54   5.249   7.258   6.770
  391    HA   SER  54           HA       SER  54   7.236   8.918   7.851
  392    HB2  SER  54           HB2      SER  54   5.983   8.480   9.998
  393    HB3  SER  54           HB1      SER  54   5.020   9.104   8.655
  394    HG   SER  54           HG       SER  54   4.044   7.227   8.419
  395    H    ARG  55           HN       ARG  55   6.770   5.447   8.068
  396    HA   ARG  55           HA       ARG  55   8.766   5.183  10.123
  397    HB2  ARG  55           HB2      ARG  55   6.912   3.611  10.097
  398    HB3  ARG  55           HB1      ARG  55   7.364   3.065   8.492
  399    HG2  ARG  55           HG2      ARG  55   9.424   2.117   9.355
  400    HG3  ARG  55           HG1      ARG  55   9.066   2.757  10.958
  401    HD2  ARG  55           HD2      ARG  55   7.394   0.734   9.471
  402    HD3  ARG  55           HD1      ARG  55   8.545   0.350  10.746
  403    HE   ARG  55           HE       ARG  55   6.773   2.283  11.701
  404   HH11  ARG  55          HH11      ARG  55   6.814  -1.188  10.917
  405   HH12  ARG  55          HH12      ARG  55   5.456  -1.540  11.880
  406   HH21  ARG  55          HH21      ARG  55   4.908   1.761  12.999
  407   HH22  ARG  55          HH22      ARG  55   4.355   0.163  13.079
  408    H    TYR  56           HN       TYR  56   8.679   4.662   6.633
  409    HA   TYR  56           HA       TYR  56  11.380   3.660   6.848
  410    HB2  TYR  56           HB2      TYR  56   9.444   3.548   4.553
  411    HB3  TYR  56           HB1      TYR  56  11.121   3.006   4.447
  412    HD1  TYR  56           HD1      TYR  56  11.911   1.261   6.124
  413    HD2  TYR  56           HD2      TYR  56   7.799   2.069   5.412
  414    HE1  TYR  56           HE1      TYR  56  11.323  -0.913   7.121
  415    HE2  TYR  56           HE2      TYR  56   7.200  -0.098   6.409
  416    HH   TYR  56           HH       TYR  56   8.356  -2.334   6.744
  417    H    GLY  57           HN       GLY  57   9.821   6.553   5.888
  418    HA2  GLY  57           HA2      GLY  57  11.056   8.559   5.680
  419    HA3  GLY  57           HA1      GLY  57  12.476   7.612   5.264
  420    H    VAL  58           HN       VAL  58   9.210   7.652   3.933
  421    HA   VAL  58           HA       VAL  58  10.370   8.448   1.366
  422    HB   VAL  58           HB       VAL  58   8.969   6.872   0.097
  423   HG11  VAL  58          HG11      VAL  58  10.079   4.761   0.699
  424   HG12  VAL  58          HG12      VAL  58  10.601   5.510   2.209
  425   HG13  VAL  58          HG13      VAL  58  11.197   6.130   0.661
  426   HG21  VAL  58          HG21      VAL  58   7.734   5.066   1.195
  427   HG22  VAL  58          HG22      VAL  58   7.112   6.649   1.679
  428   HG23  VAL  58          HG23      VAL  58   8.149   5.735   2.771
  429    H    SER  59           HN       SER  59   8.314   8.822  -0.261
  430    HA   SER  59           HA       SER  59   6.024   9.919   1.103
  431    HB2  SER  59           HB2      SER  59   7.821  11.676  -0.593
  432    HB3  SER  59           HB1      SER  59   6.255  12.143   0.053
  433    HG   SER  59           HG       SER  59   7.795  11.155   1.995
  434    H    ILE  60           HN       ILE  60   4.282   9.513  -0.086
  435    HA   ILE  60           HA       ILE  60   4.667   9.028  -2.951
  436    HB   ILE  60           HB       ILE  60   2.642   7.613  -1.148
  437   HG12  ILE  60          HG12      ILE  60   3.859   5.505  -1.965
  438   HG13  ILE  60          HG11      ILE  60   5.129   6.575  -2.532
  439   HG21  ILE  60          HG21      ILE  60   3.104   7.298  -4.102
  440   HG22  ILE  60          HG22      ILE  60   1.704   8.039  -3.339
  441   HG23  ILE  60          HG23      ILE  60   2.023   6.306  -3.126
  442   HD11  ILE  60          HD11      ILE  60   5.698   5.574  -0.405
  443   HD12  ILE  60          HD12      ILE  60   4.228   6.235   0.318
  444   HD13  ILE  60          HD13      ILE  60   5.501   7.317  -0.240
  445    HA   PRO  61           HA       PRO  61   2.034  12.661  -3.053
  446    HB2  PRO  61           HB2      PRO  61   2.312  12.137  -5.966
  447    HB3  PRO  61           HB1      PRO  61   2.610  13.619  -5.055
  448    HG2  PRO  61           HG2      PRO  61   4.647  12.202  -5.955
  449    HG3  PRO  61           HG1      PRO  61   4.709  12.910  -4.329
  450    HD2  PRO  61           HD2      PRO  61   4.115  10.083  -5.121
  451    HD3  PRO  61           HD1      PRO  61   5.152  10.689  -3.807
  452    H    ASP  62           HN       ASP  62  -0.043  13.169  -3.805
  453    HA   ASP  62           HA       ASP  62  -2.072  11.334  -3.444
  454    HB2  ASP  62           HB2      ASP  62  -2.230  13.833  -5.147
  455    HB3  ASP  62           HB1      ASP  62  -3.587  12.941  -4.504
  456    H    ASP  63           HN       ASP  63  -0.962  12.687  -6.483
  457    HA   ASP  63           HA       ASP  63  -2.653  11.297  -8.202
  458    HB2  ASP  63           HB2      ASP  63   0.038  12.548  -8.684
  459    HB3  ASP  63           HB1      ASP  63  -0.958  11.872  -9.971
  460    H    VAL  64           HN       VAL  64   0.285  10.272  -6.728
  461    HA   VAL  64           HA       VAL  64   0.757   8.120  -8.594
  462    HB   VAL  64           HB       VAL  64   2.031   8.637  -5.884
  463   HG11  VAL  64          HG11      VAL  64   3.885   7.284  -6.770
  464   HG12  VAL  64          HG12      VAL  64   2.925   6.946  -8.217
  465   HG13  VAL  64          HG13      VAL  64   2.385   6.371  -6.642
  466   HG21  VAL  64          HG21      VAL  64   2.946   9.485  -8.629
  467   HG22  VAL  64          HG22      VAL  64   3.859   9.677  -7.131
  468   HG23  VAL  64          HG23      VAL  64   2.341  10.545  -7.355
  469    H    ALA  65           HN       ALA  65  -0.416   8.425  -5.206
  470    HA   ALA  65           HA       ALA  65  -0.933   5.734  -4.758
  471    HB1  ALA  65           HB1      ALA  65  -2.366   6.588  -2.955
  472    HB2  ALA  65           HB2      ALA  65  -2.258   8.213  -3.633
  473    HB3  ALA  65           HB3      ALA  65  -0.814   7.422  -2.996
  474    H    GLY  66           HN       GLY  66  -2.854   8.384  -6.063
  475    HA2  GLY  66           HA2      GLY  66  -5.120   6.675  -6.613
  476    HA3  GLY  66           HA1      GLY  66  -4.978   8.387  -7.004
  477    H    ARG  67           HN       ARG  67  -2.527   6.088  -7.890
  478    HA   ARG  67           HA       ARG  67  -3.458   6.029 -10.662
  479    HB2  ARG  67           HB2      ARG  67  -1.523   7.489 -10.541
  480    HB3  ARG  67           HB1      ARG  67  -0.657   6.328  -9.561
  481    HG2  ARG  67           HG2      ARG  67   0.195   6.350 -11.811
  482    HG3  ARG  67           HG1      ARG  67  -0.550   4.797 -11.413
  483    HD2  ARG  67           HD2      ARG  67  -2.629   5.617 -12.562
  484    HD3  ARG  67           HD1      ARG  67  -1.701   7.016 -13.114
  485    HE   ARG  67           HE       ARG  67  -0.458   4.520 -13.789
  486   HH11  ARG  67          HH11      ARG  67  -2.873   6.843 -14.921
  487   HH12  ARG  67          HH12      ARG  67  -2.922   6.248 -16.504
  488   HH21  ARG  67          HH21      ARG  67  -0.457   3.736 -15.872
  489   HH22  ARG  67          HH22      ARG  67  -1.436   4.364 -17.113
  490    H    VAL  68           HN       VAL  68  -2.459   4.264  -7.852
  491    HA   VAL  68           HA       VAL  68  -1.582   2.074  -9.454
  492    HB   VAL  68           HB       VAL  68  -1.178   0.797  -7.353
  493   HG11  VAL  68          HG11      VAL  68   0.559   2.141  -8.393
  494   HG12  VAL  68          HG12      VAL  68   0.710   2.147  -6.640
  495   HG13  VAL  68          HG13      VAL  68   0.039   3.551  -7.468
  496   HG21  VAL  68          HG21      VAL  68  -1.223   2.001  -5.226
  497   HG22  VAL  68          HG22      VAL  68  -2.851   1.809  -5.899
  498   HG23  VAL  68          HG23      VAL  68  -2.024   3.366  -6.008
  499    H    ASP  69           HN       ASP  69  -2.398  -0.230  -8.367
  500    HA   ASP  69           HA       ASP  69  -5.312  -0.224  -8.925
  501    HB2  ASP  69           HB2      ASP  69  -3.902  -0.583 -11.040
  502    HB3  ASP  69           HB1      ASP  69  -3.341  -2.050 -10.271
  503    H    THR  70           HN       THR  70  -2.528  -2.361  -8.470
  504    HA   THR  70           HA       THR  70  -4.042  -3.983  -6.589
  505    HB   THR  70           HB       THR  70  -2.352  -5.687  -7.161
  506    HG1  THR  70           HG1      THR  70  -1.088  -4.864  -9.194
  507   HG21  THR  70          HG21      THR  70  -3.565  -4.356  -9.580
  508   HG22  THR  70          HG22      THR  70  -4.337  -5.590  -8.566
  509   HG23  THR  70          HG23      THR  70  -2.935  -6.003  -9.553
  510    HA   PRO  71           HA       PRO  71  -1.299  -2.698  -3.303
  511    HB2  PRO  71           HB2      PRO  71  -0.714  -5.556  -2.783
  512    HB3  PRO  71           HB1      PRO  71  -1.348  -4.315  -1.693
  513    HG2  PRO  71           HG2      PRO  71  -2.960  -6.184  -2.630
  514    HG3  PRO  71           HG1      PRO  71  -3.512  -4.499  -2.541
  515    HD2  PRO  71           HD2      PRO  71  -2.502  -6.037  -4.901
  516    HD3  PRO  71           HD1      PRO  71  -3.915  -4.967  -4.794
  517    H    ARG  72           HN       ARG  72  -0.168  -5.014  -5.658
  518    HA   ARG  72           HA       ARG  72   2.558  -4.878  -4.824
  519    HB2  ARG  72           HB2      ARG  72   3.155  -6.159  -6.756
  520    HB3  ARG  72           HB1      ARG  72   1.685  -6.833  -6.085
  521    HG2  ARG  72           HG2      ARG  72   0.402  -5.715  -7.859
  522    HG3  ARG  72           HG1      ARG  72   1.918  -5.098  -8.529
  523    HD2  ARG  72           HD2      ARG  72   1.085  -7.980  -8.234
  524    HD3  ARG  72           HD1      ARG  72   1.259  -7.075  -9.737
  525    HE   ARG  72           HE       ARG  72   3.707  -6.879  -8.630
  526   HH11  ARG  72          HH11      ARG  72   1.629  -9.607  -9.580
  527   HH12  ARG  72          HH12      ARG  72   2.882 -10.759  -9.577
  528   HH21  ARG  72          HH21      ARG  72   5.464  -8.462  -8.673
  529   HH22  ARG  72          HH22      ARG  72   5.144 -10.078  -9.055
  530    H    GLU  73           HN       GLU  73   0.593  -3.025  -7.034
  531    HA   GLU  73           HA       GLU  73   2.739  -1.683  -8.309
  532    HB2  GLU  73           HB2      GLU  73  -0.014  -0.554  -7.753
  533    HB3  GLU  73           HB1      GLU  73   1.093  -0.038  -9.005
  534    HG2  GLU  73           HG2      GLU  73  -0.396  -2.636  -8.859
  535    HG3  GLU  73           HG1      GLU  73  -0.695  -1.304  -9.971
  536    H    LEU  74           HN       LEU  74   0.786  -1.090  -5.481
  537    HA   LEU  74           HA       LEU  74   1.825   1.418  -4.654
  538    HB2  LEU  74           HB2      LEU  74  -0.265   0.075  -3.803
  539    HB3  LEU  74           HB1      LEU  74   0.950  -0.772  -2.845
  540    HG   LEU  74           HG       LEU  74  -0.396   1.024  -1.602
  541   HD11  LEU  74          HD11      LEU  74   1.645   0.153  -0.659
  542   HD12  LEU  74          HD12      LEU  74   1.478   1.881  -0.342
  543   HD13  LEU  74          HD13      LEU  74   2.586   1.312  -1.597
  544   HD21  LEU  74          HD21      LEU  74  -0.425   2.699  -3.356
  545   HD22  LEU  74          HD22      LEU  74   1.327   2.863  -3.253
  546   HD23  LEU  74          HD23      LEU  74   0.318   3.341  -1.891
  547    H    LEU  75           HN       LEU  75   2.568  -1.909  -3.748
  548    HA   LEU  75           HA       LEU  75   4.586  -1.466  -1.931
  549    HB2  LEU  75           HB2      LEU  75   3.424  -3.527  -2.148
  550    HB3  LEU  75           HB1      LEU  75   3.988  -3.719  -3.795
  551    HG   LEU  75           HG       LEU  75   6.258  -3.810  -2.921
  552   HD11  LEU  75          HD11      LEU  75   5.962  -2.814  -0.725
  553   HD12  LEU  75          HD12      LEU  75   6.575  -4.456  -0.534
  554   HD13  LEU  75          HD13      LEU  75   4.872  -4.114  -0.245
  555   HD21  LEU  75          HD21      LEU  75   4.315  -5.923  -2.076
  556   HD22  LEU  75          HD22      LEU  75   6.059  -6.182  -2.264
  557   HD23  LEU  75          HD23      LEU  75   5.061  -5.704  -3.653
  558    H    ASP  76           HN       ASP  76   4.653  -1.818  -5.438
  559    HA   ASP  76           HA       ASP  76   7.457  -2.028  -5.714
  560    HB2  ASP  76           HB2      ASP  76   5.865  -2.721  -7.480
  561    HB3  ASP  76           HB1      ASP  76   5.432  -1.027  -7.726
  562    H    LEU  77           HN       LEU  77   5.208   0.684  -5.757
  563    HA   LEU  77           HA       LEU  77   6.986   2.763  -6.328
  564    HB2  LEU  77           HB2      LEU  77   4.660   2.757  -4.428
  565    HB3  LEU  77           HB1      LEU  77   5.437   4.179  -5.077
  566    HG   LEU  77           HG       LEU  77   3.911   2.146  -6.693
  567   HD11  LEU  77          HD11      LEU  77   2.477   3.381  -5.180
  568   HD12  LEU  77          HD12      LEU  77   2.217   3.891  -6.849
  569   HD13  LEU  77          HD13      LEU  77   3.156   4.905  -5.756
  570   HD21  LEU  77          HD21      LEU  77   5.045   4.844  -7.454
  571   HD22  LEU  77          HD22      LEU  77   4.072   3.797  -8.488
  572   HD23  LEU  77          HD23      LEU  77   5.676   3.281  -7.974
  573    H    ILE  78           HN       ILE  78   6.046   1.253  -3.287
  574    HA   ILE  78           HA       ILE  78   7.600   2.858  -1.578
  575    HB   ILE  78           HB       ILE  78   6.856  -0.048  -1.092
  576   HG12  ILE  78          HG12      ILE  78   4.825   1.247  -1.606
  577   HG13  ILE  78          HG11      ILE  78   4.884   0.794   0.092
  578   HG21  ILE  78          HG21      ILE  78   8.521   0.742   0.465
  579   HG22  ILE  78          HG22      ILE  78   6.969   0.640   1.305
  580   HG23  ILE  78          HG23      ILE  78   7.586   2.198   0.778
  581   HD11  ILE  78          HD11      ILE  78   5.578   3.044   0.683
  582   HD12  ILE  78          HD12      ILE  78   4.066   3.070  -0.232
  583   HD13  ILE  78          HD13      ILE  78   5.586   3.497  -1.019
  584    H    ASN  79           HN       ASN  79   8.203  -0.398  -2.878
  585    HA   ASN  79           HA       ASN  79  10.751  -0.882  -1.936
  586    HB2  ASN  79           HB2      ASN  79   9.534  -1.672  -4.587
  587    HB3  ASN  79           HB1      ASN  79  11.109  -2.242  -4.073
  588   HD21  ASN  79          HD21      ASN  79  10.273  -2.536  -1.260
  589   HD22  ASN  79          HD22      ASN  79   9.287  -3.956  -1.243
  590    H    GLY  80           HN       GLY  80   9.904   0.787  -4.964
  591    HA2  GLY  80           HA2      GLY  80  12.549   1.319  -5.794
  592    HA3  GLY  80           HA1      GLY  80  11.113   2.183  -6.315
  593    H    ALA  81           HN       ALA  81  10.312   3.270  -3.869
  594    HA   ALA  81           HA       ALA  81  12.087   5.503  -3.727
  595    HB1  ALA  81           HB1      ALA  81   9.690   4.865  -2.012
  596    HB2  ALA  81           HB2      ALA  81   9.642   5.752  -3.532
  597    HB3  ALA  81           HB3      ALA  81  10.492   6.432  -2.140
  598    H    LEU  82           HN       LEU  82  11.494   2.687  -1.715
  599    HA   LEU  82           HA       LEU  82  12.784   3.579   0.583
  600    HB2  LEU  82           HB2      LEU  82  11.137   1.798   0.575
  601    HB3  LEU  82           HB1      LEU  82  12.165   0.814  -0.435
  602    HG   LEU  82           HG       LEU  82  13.770   0.630   1.306
  603   HD11  LEU  82          HD11      LEU  82  13.429   2.731   2.495
  604   HD12  LEU  82          HD12      LEU  82  13.196   1.396   3.633
  605   HD13  LEU  82          HD13      LEU  82  11.799   2.227   2.940
  606   HD21  LEU  82          HD21      LEU  82  10.975  -0.102   2.182
  607   HD22  LEU  82          HD22      LEU  82  12.455  -0.787   2.853
  608   HD23  LEU  82          HD23      LEU  82  12.048  -1.053   1.160
  609    H    ALA  83           HN       ALA  83  13.978   2.436  -2.431
  610    HA   ALA  83           HA       ALA  83  16.459   1.383  -1.620
  611    HB1  ALA  83           HB1      ALA  83  15.555   1.108  -3.895
  612    HB2  ALA  83           HB2      ALA  83  17.191   1.767  -3.922
  613    HB3  ALA  83           HB3      ALA  83  15.810   2.829  -4.196
  614    H    GLU  84           HN       GLU  84  15.304   4.651  -1.678
  615    HA   GLU  84           HA       GLU  84  17.926   5.842  -1.520
  616    HB2  GLU  84           HB2      GLU  84  15.115   6.880  -1.427
  617    HB3  GLU  84           HB1      GLU  84  16.527   7.892  -1.219
  618    HG2  GLU  84           HG2      GLU  84  15.906   6.262  -3.676
  619    HG3  GLU  84           HG1      GLU  84  15.580   7.985  -3.485
  620    H    ALA  85           HN       ALA  85  15.733   4.359   0.587
  621    HA   ALA  85           HA       ALA  85  16.540   6.071   2.842
  622    HB1  ALA  85           HB1      ALA  85  14.016   4.465   2.534
  623    HB2  ALA  85           HB2      ALA  85  14.172   6.217   2.331
  624    HB3  ALA  85           HB3      ALA  85  14.457   5.479   3.911
  625    H    ALA  86           HN       ALA  86  17.134   3.136   1.518
  626    HA   ALA  86           HA       ALA  86  17.494   1.867   4.117
  627    HB1  ALA  86           HB1      ALA  86  17.576   0.661   1.340
  628    HB2  ALA  86           HB2      ALA  86  16.245   0.518   2.502
  629    HB3  ALA  86           HB3      ALA  86  17.799  -0.225   2.846
  630   H28A  SDO 101          H28A      SDO  42  -9.902  12.484  -3.208
  631   H28B  SDO 101          H28B      SDO  42 -11.594  12.521  -2.672
  632   H30A  SDO 101          H30A      SDO  42 -10.822  12.982   0.909
  633   H30B  SDO 101          H30B      SDO  42 -11.001  11.432   0.084
  634   H30C  SDO 101          H30C      SDO  42 -12.113  12.746  -0.266
  635   H31A  SDO 101          H31A      SDO  42  -8.497  13.165   0.115
  636   H31B  SDO 101          H31B      SDO  42  -8.157  13.059  -1.604
  637   H31C  SDO 101          H31C      SDO  42  -8.604  11.579  -0.703
  638   H32A  SDO 101          H32A      SDO  42 -11.191  14.810  -1.756
  639   H33A  SDO 101          H33A      SDO  42  -8.655  15.508  -1.738
  640   H36A  SDO 101          H36A      SDO  42 -11.732  14.899   0.567
  641   H37A  SDO 101          H37A      SDO  42  -9.968  16.284   2.486
  642   H37B  SDO 101          H37B      SDO  42 -11.544  16.899   2.049
  643   H38A  SDO 101          H38A      SDO  42 -10.972  14.337   3.470
  644   H38B  SDO 101          H38B      SDO  42 -12.065  15.661   3.991
  645   H41A  SDO 101          H41A      SDO  42 -12.742  12.931   3.994
  646   H42A  SDO 101          H42A      SDO  42 -15.142  12.833   2.493
  647   H42B  SDO 101          H42B      SDO  42 -13.862  11.996   1.652
  648   H43A  SDO 101          H43A      SDO  42 -14.968  11.268   4.323
  649   H43B  SDO 101          H43B      SDO  42 -13.415  10.762   3.738
  650    H1A  SDO 101           H1A      SDO  42 -14.953   9.027   0.267
  651    H1B  SDO 101           H1B      SDO  42 -16.543   9.589   0.720
  652    H2A  SDO 101           H2A      SDO  42 -14.181  11.354   0.265
  653    H2B  SDO 101           H2B      SDO  42 -15.798  11.878   0.646
  654    H4A  SDO 101           H4A      SDO  42 -15.490  10.099  -3.217
  655    H4B  SDO 101           H4B      SDO  42 -17.101  10.604  -2.783
  656    H5A  SDO 101           H5A      SDO  42 -17.162   8.884  -1.005
  657    H5B  SDO 101           H5B      SDO  42 -15.585   8.315  -1.565
  658    H6A  SDO 101           H6A      SDO  42 -17.966   8.512  -3.385
  659    H6B  SDO 101           H6B      SDO  42 -17.644   7.078  -2.427
  660    H8A  SDO 101           H8A      SDO  42 -14.606   8.601  -4.568
  661    H8B  SDO 101           H8B      SDO  42 -14.247   6.871  -4.524
  662    H8C  SDO 101           H8C      SDO  42 -14.436   7.772  -3.017
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  19.221  -9.760  -1.151
    2    H2   MET   1           HT2      MET   1  18.982 -10.029   0.485
    3    H3   MET   1           HT3      MET   1  20.143 -10.903  -0.318
    4    HA   MET   1           HA       MET   1  21.159  -9.099   0.982
    5    HB2  MET   1           HB2      MET   1  21.172  -8.407  -1.972
    6    HB3  MET   1           HB1      MET   1  22.420  -8.025  -0.798
    7    HG2  MET   1           HG2      MET   1  21.676 -10.763  -1.785
    8    HG3  MET   1           HG1      MET   1  23.097  -9.837  -2.254
    9    HE1  MET   1           HE1      MET   1  24.575 -12.776  -0.170
   10    HE2  MET   1           HE2      MET   1  24.601 -11.921  -1.707
   11    HE3  MET   1           HE3      MET   1  23.176 -12.849  -1.243
   12    H    ALA   2           HN       ALA   2  18.165  -8.509   0.731
   13    HA   ALA   2           HA       ALA   2  18.412  -5.659   0.227
   14    HB1  ALA   2           HB1      ALA   2  16.225  -5.681  -0.815
   15    HB2  ALA   2           HB2      ALA   2  16.134  -7.431  -0.620
   16    HB3  ALA   2           HB3      ALA   2  17.344  -6.727  -1.688
   17    H    THR   3           HN       THR   3  18.037  -4.629   2.003
   18    HA   THR   3           HA       THR   3  16.126  -5.606   3.959
   19    HB   THR   3           HB       THR   3  17.740  -3.017   3.937
   20    HG1  THR   3           HG1      THR   3  18.555  -5.556   4.146
   21   HG21  THR   3          HG21      THR   3  17.432  -3.114   6.386
   22   HG22  THR   3          HG22      THR   3  16.501  -4.604   6.216
   23   HG23  THR   3          HG23      THR   3  15.866  -3.092   5.573
   24    H    LEU   4           HN       LEU   4  14.696  -5.505   2.058
   25    HA   LEU   4           HA       LEU   4  13.541  -2.865   1.390
   26    HB2  LEU   4           HB2      LEU   4  15.002  -4.262  -0.283
   27    HB3  LEU   4           HB1      LEU   4  13.615  -5.323  -0.324
   28    HG   LEU   4           HG       LEU   4  12.269  -3.397  -1.120
   29   HD11  LEU   4          HD11      LEU   4  13.645  -1.578  -0.269
   30   HD12  LEU   4          HD12      LEU   4  13.490  -1.452  -2.023
   31   HD13  LEU   4          HD13      LEU   4  14.979  -2.071  -1.313
   32   HD21  LEU   4          HD21      LEU   4  13.162  -3.466  -3.397
   33   HD22  LEU   4          HD22      LEU   4  13.157  -5.068  -2.653
   34   HD23  LEU   4          HD23      LEU   4  14.663  -4.163  -2.782
   35    H    LEU   5           HN       LEU   5  11.208  -3.358   0.585
   36    HA   LEU   5           HA       LEU   5  10.068  -5.158   2.555
   37    HB2  LEU   5           HB2      LEU   5   8.773  -3.126   0.764
   38    HB3  LEU   5           HB1      LEU   5   7.914  -4.092   1.934
   39    HG   LEU   5           HG       LEU   5   9.931  -1.918   2.458
   40   HD11  LEU   5          HD11      LEU   5   7.032  -2.220   3.163
   41   HD12  LEU   5          HD12      LEU   5   7.700  -1.183   1.896
   42   HD13  LEU   5          HD13      LEU   5   8.070  -0.860   3.593
   43   HD21  LEU   5          HD21      LEU   5   8.578  -3.738   4.433
   44   HD22  LEU   5          HD22      LEU   5   9.587  -2.345   4.844
   45   HD23  LEU   5          HD23      LEU   5  10.295  -3.751   4.037
   46    H    THR   6           HN       THR   6   9.288  -7.035   2.046
   47    HA   THR   6           HA       THR   6   8.940  -7.612  -0.771
   48    HB   THR   6           HB       THR   6   9.056 -10.010  -0.149
   49    HG1  THR   6           HG1      THR   6   9.384  -8.939   2.491
   50   HG21  THR   6          HG21      THR   6  11.442 -10.073   0.481
   51   HG22  THR   6          HG22      THR   6  11.364  -8.349   0.864
   52   HG23  THR   6          HG23      THR   6  11.110  -8.898  -0.794
   53    H    THR   7           HN       THR   7   7.164  -9.771  -0.656
   54    HA   THR   7           HA       THR   7   4.742  -8.444  -0.666
   55    HB   THR   7           HB       THR   7   5.181 -11.420  -0.384
   56    HG1  THR   7           HG1      THR   7   4.922 -10.250  -2.903
   57   HG21  THR   7          HG21      THR   7   3.120 -11.540  -1.727
   58   HG22  THR   7          HG22      THR   7   3.055  -9.782  -1.775
   59   HG23  THR   7          HG23      THR   7   2.836 -10.625  -0.244
   60    H    ASP   8           HN       ASP   8   6.058 -10.707   1.822
   61    HA   ASP   8           HA       ASP   8   3.707 -10.544   3.415
   62    HB2  ASP   8           HB2      ASP   8   4.764 -11.894   5.037
   63    HB3  ASP   8           HB1      ASP   8   5.493 -12.404   3.523
   64    H    ASP   9           HN       ASP   9   6.626  -8.643   3.301
   65    HA   ASP   9           HA       ASP   9   6.399  -7.263   5.762
   66    HB2  ASP   9           HB2      ASP   9   7.486  -6.261   3.113
   67    HB3  ASP   9           HB1      ASP   9   7.568  -5.356   4.610
   68    H    LEU  10           HN       LEU  10   5.198  -6.571   2.572
   69    HA   LEU  10           HA       LEU  10   3.899  -4.141   3.115
   70    HB2  LEU  10           HB2      LEU  10   4.510  -4.885   0.887
   71    HB3  LEU  10           HB1      LEU  10   3.372  -6.210   1.004
   72    HG   LEU  10           HG       LEU  10   1.570  -4.449   1.248
   73   HD11  LEU  10          HD11      LEU  10   2.070  -2.224   0.347
   74   HD12  LEU  10          HD12      LEU  10   3.783  -2.654   0.288
   75   HD13  LEU  10          HD13      LEU  10   2.956  -2.560   1.837
   76   HD21  LEU  10          HD21      LEU  10   1.463  -4.080  -1.164
   77   HD22  LEU  10          HD22      LEU  10   1.909  -5.738  -0.769
   78   HD23  LEU  10          HD23      LEU  10   3.141  -4.598  -1.313
   79    H    ARG  11           HN       ARG  11   2.792  -7.492   3.091
   80    HA   ARG  11           HA       ARG  11   0.044  -7.127   3.213
   81    HB2  ARG  11           HB2      ARG  11   1.364  -9.329   2.999
   82    HB3  ARG  11           HB1      ARG  11   1.419  -9.319   4.756
   83    HG2  ARG  11           HG2      ARG  11  -1.112  -9.086   4.678
   84    HG3  ARG  11           HG1      ARG  11  -0.977  -9.519   2.971
   85    HD2  ARG  11           HD2      ARG  11  -0.276 -11.190   5.380
   86    HD3  ARG  11           HD1      ARG  11  -1.468 -11.478   4.101
   87    HE   ARG  11           HE       ARG  11   0.546 -11.687   2.607
   88   HH11  ARG  11          HH11      ARG  11   0.569 -12.611   6.036
   89   HH12  ARG  11          HH12      ARG  11   1.733 -13.835   5.846
   90   HH21  ARG  11          HH21      ARG  11   2.097 -13.414   2.349
   91   HH22  ARG  11          HH22      ARG  11   2.679 -14.281   3.706
   92    H    ARG  12           HN       ARG  12   2.425  -7.099   5.770
   93    HA   ARG  12           HA       ARG  12   0.838  -7.211   8.059
   94    HB2  ARG  12           HB2      ARG  12   3.336  -5.549   7.726
   95    HB3  ARG  12           HB1      ARG  12   2.691  -6.198   9.227
   96    HG2  ARG  12           HG2      ARG  12   3.198  -8.448   8.495
   97    HG3  ARG  12           HG1      ARG  12   3.729  -7.839   6.930
   98    HD2  ARG  12           HD2      ARG  12   5.397  -6.429   8.258
   99    HD3  ARG  12           HD1      ARG  12   5.006  -7.492   9.613
  100    HE   ARG  12           HE       ARG  12   5.603  -9.156   7.529
  101   HH11  ARG  12          HH11      ARG  12   7.312  -6.755   9.467
  102   HH12  ARG  12          HH12      ARG  12   8.868  -7.174   8.950
  103   HH21  ARG  12          HH21      ARG  12   7.712  -9.857   6.851
  104   HH22  ARG  12          HH22      ARG  12   9.119  -9.048   7.394
  105    H    ALA  13           HN       ALA  13   1.883  -4.420   6.150
  106    HA   ALA  13           HA       ALA  13   0.688  -2.478   7.847
  107    HB1  ALA  13           HB1      ALA  13   1.571  -2.204   4.982
  108    HB2  ALA  13           HB2      ALA  13   2.584  -1.957   6.401
  109    HB3  ALA  13           HB3      ALA  13   1.218  -0.886   6.092
  110    H    LEU  14           HN       LEU  14  -0.396  -4.198   4.947
  111    HA   LEU  14           HA       LEU  14  -2.705  -2.688   4.591
  112    HB2  LEU  14           HB2      LEU  14  -1.681  -5.310   3.670
  113    HB3  LEU  14           HB1      LEU  14  -3.384  -5.008   3.513
  114    HG   LEU  14           HG       LEU  14  -2.234  -4.559   1.431
  115   HD11  LEU  14          HD11      LEU  14  -4.183  -3.222   1.911
  116   HD12  LEU  14          HD12      LEU  14  -3.001  -2.280   0.999
  117   HD13  LEU  14          HD13      LEU  14  -3.185  -2.020   2.733
  118   HD21  LEU  14          HD21      LEU  14  -0.014  -3.983   2.277
  119   HD22  LEU  14          HD22      LEU  14  -0.655  -2.481   2.949
  120   HD23  LEU  14          HD23      LEU  14  -0.625  -2.722   1.204
  121    H    VAL  15           HN       VAL  15  -1.945  -5.529   6.518
  122    HA   VAL  15           HA       VAL  15  -4.576  -6.060   7.388
  123    HB   VAL  15           HB       VAL  15  -1.930  -6.647   8.783
  124   HG11  VAL  15          HG11      VAL  15  -4.690  -7.753   9.350
  125   HG12  VAL  15          HG12      VAL  15  -3.752  -6.703  10.417
  126   HG13  VAL  15          HG13      VAL  15  -3.191  -8.337  10.072
  127   HG21  VAL  15          HG21      VAL  15  -3.717  -8.400   7.096
  128   HG22  VAL  15          HG22      VAL  15  -2.236  -8.922   7.900
  129   HG23  VAL  15          HG23      VAL  15  -2.167  -7.722   6.605
  130    H    GLU  16           HN       GLU  16  -1.982  -4.015   8.782
  131    HA   GLU  16           HA       GLU  16  -3.326  -3.001  10.989
  132    HB2  GLU  16           HB2      GLU  16  -1.468  -1.530   9.127
  133    HB3  GLU  16           HB1      GLU  16  -1.904  -1.012  10.746
  134    HG2  GLU  16           HG2      GLU  16  -0.900  -3.101  11.614
  135    HG3  GLU  16           HG1      GLU  16  -0.387  -3.465   9.984
  136    H    SER  17           HN       SER  17  -3.495  -2.070   7.632
  137    HA   SER  17           HA       SER  17  -5.064   0.250   7.997
  138    HB2  SER  17           HB2      SER  17  -3.600  -0.002   6.062
  139    HB3  SER  17           HB1      SER  17  -4.496  -1.423   5.532
  140    HG   SER  17           HG       SER  17  -4.899   0.872   4.663
  141    H    ALA  18           HN       ALA  18  -5.827  -3.141   7.263
  142    HA   ALA  18           HA       ALA  18  -8.597  -2.507   6.888
  143    HB1  ALA  18           HB1      ALA  18  -8.953  -4.814   6.479
  144    HB2  ALA  18           HB2      ALA  18  -7.330  -5.217   7.053
  145    HB3  ALA  18           HB3      ALA  18  -7.542  -4.278   5.555
  146    H    GLY  19           HN       GLY  19  -9.067  -1.618   8.779
  147    HA2  GLY  19           HA2      GLY  19  -9.151  -3.356  11.157
  148    HA3  GLY  19           HA1      GLY  19  -9.429  -1.613  11.162
  149    H    GLU  20           HN       GLU  20 -11.373  -0.814  10.188
  150    HA   GLU  20           HA       GLU  20 -13.470  -2.795  10.136
  151    HB2  GLU  20           HB2      GLU  20 -15.018  -1.060  11.185
  152    HB3  GLU  20           HB1      GLU  20 -13.861  -1.845  12.242
  153    HG2  GLU  20           HG2      GLU  20 -12.440   0.128  12.192
  154    HG3  GLU  20           HG1      GLU  20 -13.551   0.901  11.056
  155    H    THR  21           HN       THR  21 -12.945  -2.759   8.063
  156    HA   THR  21           HA       THR  21 -14.581  -1.022   6.462
  157    HB   THR  21           HB       THR  21 -12.370   0.022   6.270
  158    HG1  THR  21           HG1      THR  21 -12.994   0.164   4.288
  159   HG21  THR  21          HG21      THR  21 -11.263  -2.705   5.572
  160   HG22  THR  21          HG22      THR  21 -10.972  -1.819   7.066
  161   HG23  THR  21          HG23      THR  21 -10.343  -1.197   5.540
  162    H    ASP  22           HN       ASP  22 -13.032  -2.753   4.201
  163    HA   ASP  22           HA       ASP  22 -14.589  -5.135   4.846
  164    HB2  ASP  22           HB2      ASP  22 -14.603  -4.227   2.474
  165    HB3  ASP  22           HB1      ASP  22 -12.939  -4.795   2.333
  166    H    GLY  23           HN       GLY  23 -13.572  -6.145   6.398
  167    HA2  GLY  23           HA2      GLY  23 -10.725  -6.456   6.226
  168    HA3  GLY  23           HA1      GLY  23 -11.745  -6.939   7.590
  169    H    THR  24           HN       THR  24 -11.022  -7.699   4.260
  170    HA   THR  24           HA       THR  24 -11.994 -10.376   4.576
  171    HB   THR  24           HB       THR  24 -12.277  -9.216   2.406
  172    HG1  THR  24           HG1      THR  24 -11.608 -10.917   1.080
  173   HG21  THR  24          HG21      THR  24 -10.220  -7.898   2.354
  174   HG22  THR  24          HG22      THR  24 -10.350  -8.879   0.894
  175   HG23  THR  24          HG23      THR  24  -9.262  -9.369   2.193
  176    H    ASP  25           HN       ASP  25 -10.089 -11.868   3.203
  177    HA   ASP  25           HA       ASP  25  -7.963 -11.927   5.252
  178    HB2  ASP  25           HB2      ASP  25  -9.566 -13.868   5.207
  179    HB3  ASP  25           HB1      ASP  25  -8.979 -14.241   3.598
  180    H    LEU  26           HN       LEU  26  -6.217 -11.061   4.458
  181    HA   LEU  26           HA       LEU  26  -5.669 -11.031   1.614
  182    HB2  LEU  26           HB2      LEU  26  -4.439  -9.645   3.981
  183    HB3  LEU  26           HB1      LEU  26  -3.646  -9.651   2.423
  184    HG   LEU  26           HG       LEU  26  -5.613  -8.487   1.462
  185   HD11  LEU  26          HD11      LEU  26  -7.325  -9.201   3.006
  186   HD12  LEU  26          HD12      LEU  26  -7.235  -7.443   2.897
  187   HD13  LEU  26          HD13      LEU  26  -6.553  -8.278   4.303
  188   HD21  LEU  26          HD21      LEU  26  -4.321  -7.128   3.809
  189   HD22  LEU  26          HD22      LEU  26  -5.137  -6.331   2.457
  190   HD23  LEU  26          HD23      LEU  26  -3.668  -7.266   2.176
  191    H    SER  27           HN       SER  27  -5.378 -13.642   2.612
  192    HA   SER  27           HA       SER  27  -2.526 -13.978   2.962
  193    HB2  SER  27           HB2      SER  27  -4.125 -15.409   4.242
  194    HB3  SER  27           HB1      SER  27  -4.630 -16.139   2.719
  195    HG   SER  27           HG       SER  27  -3.026 -17.473   3.042
  196    H    GLY  28           HN       GLY  28  -1.489 -13.485   1.131
  197    HA2  GLY  28           HA2      GLY  28  -0.384 -14.155  -0.795
  198    HA3  GLY  28           HA1      GLY  28  -1.472 -15.518  -0.894
  199    H    ASP  29           HN       ASP  29  -3.656 -14.815  -1.426
  200    HA   ASP  29           HA       ASP  29  -3.767 -14.175  -4.154
  201    HB2  ASP  29           HB2      ASP  29  -5.464 -15.474  -2.843
  202    HB3  ASP  29           HB1      ASP  29  -6.091 -13.944  -2.239
  203    H    PHE  30           HN       PHE  30  -3.813 -12.096  -1.529
  204    HA   PHE  30           HA       PHE  30  -5.317  -9.890  -2.511
  205    HB2  PHE  30           HB2      PHE  30  -4.611  -8.679  -0.622
  206    HB3  PHE  30           HB1      PHE  30  -4.572 -10.348  -0.076
  207    HD1  PHE  30           HD2      PHE  30  -2.254 -11.546  -0.073
  208    HD2  PHE  30           HD1      PHE  30  -2.749  -7.331  -0.424
  209    HE1  PHE  30           HE2      PHE  30   0.089 -11.225   0.532
  210    HE2  PHE  30           HE1      PHE  30  -0.384  -7.007   0.191
  211    HZ   PHE  30           HZ       PHE  30   1.032  -8.957   0.671
  212    H    LEU  31           HN       LEU  31  -2.118 -10.973  -3.184
  213    HA   LEU  31           HA       LEU  31  -0.771  -8.554  -3.619
  214    HB2  LEU  31           HB2      LEU  31   0.287 -10.758  -3.333
  215    HB3  LEU  31           HB1      LEU  31  -0.266 -11.211  -4.931
  216    HG   LEU  31           HG       LEU  31   1.142  -9.393  -5.887
  217   HD11  LEU  31          HD11      LEU  31   2.817  -8.336  -4.457
  218   HD12  LEU  31          HD12      LEU  31   2.094  -9.106  -3.042
  219   HD13  LEU  31          HD13      LEU  31   1.182  -7.909  -3.955
  220   HD21  LEU  31          HD21      LEU  31   2.585 -11.377  -4.131
  221   HD22  LEU  31          HD22      LEU  31   3.278 -10.526  -5.511
  222   HD23  LEU  31          HD23      LEU  31   1.966 -11.683  -5.753
  223    H    ASP  32           HN       ASP  32  -2.761 -10.477  -5.775
  224    HA   ASP  32           HA       ASP  32  -2.407  -8.424  -7.840
  225    HB2  ASP  32           HB2      ASP  32  -3.121 -10.125  -9.505
  226    HB3  ASP  32           HB1      ASP  32  -1.631 -10.557  -8.679
  227    H    LEU  33           HN       LEU  33  -4.213  -8.701  -5.494
  228    HA   LEU  33           HA       LEU  33  -6.818  -8.614  -6.789
  229    HB2  LEU  33           HB2      LEU  33  -6.449  -9.991  -4.740
  230    HB3  LEU  33           HB1      LEU  33  -6.033  -8.538  -3.864
  231    HG   LEU  33           HG       LEU  33  -8.332  -7.726  -4.116
  232   HD11  LEU  33          HD11      LEU  33  -8.809 -10.378  -5.483
  233   HD12  LEU  33          HD12      LEU  33  -8.831  -8.805  -6.269
  234   HD13  LEU  33          HD13      LEU  33 -10.047  -9.198  -5.053
  235   HD21  LEU  33          HD21      LEU  33  -9.386  -9.387  -2.649
  236   HD22  LEU  33          HD22      LEU  33  -7.717  -9.085  -2.180
  237   HD23  LEU  33          HD23      LEU  33  -8.127 -10.551  -3.059
  238    H    ARG  34           HN       ARG  34  -8.153  -6.672  -6.325
  239    HA   ARG  34           HA       ARG  34  -6.400  -4.323  -6.488
  240    HB2  ARG  34           HB2      ARG  34  -9.262  -4.695  -7.390
  241    HB3  ARG  34           HB1      ARG  34  -8.446  -3.151  -7.387
  242    HG2  ARG  34           HG2      ARG  34  -8.510  -4.069  -9.610
  243    HG3  ARG  34           HG1      ARG  34  -6.848  -4.006  -9.039
  244    HD2  ARG  34           HD2      ARG  34  -7.369  -6.068 -10.256
  245    HD3  ARG  34           HD1      ARG  34  -6.891  -6.349  -8.577
  246    HE   ARG  34           HE       ARG  34  -9.593  -6.265  -8.426
  247   HH11  ARG  34          HH11      ARG  34  -7.414  -8.104 -10.519
  248   HH12  ARG  34          HH12      ARG  34  -8.379  -9.505 -10.521
  249   HH21  ARG  34          HH21      ARG  34 -10.920  -8.164  -8.435
  250   HH22  ARG  34          HH22      ARG  34 -10.455  -9.509  -9.380
  251    H    PHE  35           HN       PHE  35  -7.070  -2.358  -5.504
  252    HA   PHE  35           HA       PHE  35  -7.964  -2.674  -2.835
  253    HB2  PHE  35           HB2      PHE  35  -7.592  -0.159  -4.469
  254    HB3  PHE  35           HB1      PHE  35  -7.927  -0.173  -2.744
  255    HD1  PHE  35           HD2      PHE  35  -6.270  -1.272  -1.208
  256    HD2  PHE  35           HD1      PHE  35  -5.397  -0.431  -5.282
  257    HE1  PHE  35           HE2      PHE  35  -3.865  -1.499  -0.736
  258    HE2  PHE  35           HE1      PHE  35  -2.995  -0.653  -4.817
  259    HZ   PHE  35           HZ       PHE  35  -2.230  -1.191  -2.546
  260    H    GLU  36           HN       GLU  36  -9.541  -1.956  -5.781
  261    HA   GLU  36           HA       GLU  36 -12.015  -0.883  -4.986
  262    HB2  GLU  36           HB2      GLU  36 -11.546  -2.922  -7.154
  263    HB3  GLU  36           HB1      GLU  36 -12.840  -1.742  -7.069
  264    HG2  GLU  36           HG2      GLU  36 -11.290   0.042  -7.461
  265    HG3  GLU  36           HG1      GLU  36  -9.926  -1.073  -7.393
  266    H    ASP  37           HN       ASP  37 -10.965  -4.185  -5.559
  267    HA   ASP  37           HA       ASP  37 -13.286  -5.587  -4.909
  268    HB2  ASP  37           HB2      ASP  37 -10.391  -6.443  -4.846
  269    HB3  ASP  37           HB1      ASP  37 -11.757  -7.543  -4.713
  270    H    ILE  38           HN       ILE  38 -10.584  -4.502  -2.942
  271    HA   ILE  38           HA       ILE  38 -11.674  -5.942  -0.668
  272    HB   ILE  38           HB       ILE  38  -9.606  -5.274   0.574
  273   HG12  ILE  38          HG12      ILE  38  -8.761  -4.150  -2.115
  274   HG13  ILE  38          HG11      ILE  38  -9.094  -3.201  -0.672
  275   HG21  ILE  38          HG21      ILE  38  -9.128  -6.655  -2.065
  276   HG22  ILE  38          HG22      ILE  38  -9.750  -7.409  -0.595
  277   HG23  ILE  38          HG23      ILE  38  -8.109  -6.759  -0.630
  278   HD11  ILE  38          HD11      ILE  38  -6.857  -5.192  -1.017
  279   HD12  ILE  38          HD12      ILE  38  -7.185  -4.258   0.448
  280   HD13  ILE  38          HD13      ILE  38  -6.713  -3.432  -1.040
  281    H    GLY  39           HN       GLY  39 -12.784  -3.410  -1.891
  282    HA2  GLY  39           HA2      GLY  39 -14.142  -1.751  -1.102
  283    HA3  GLY  39           HA1      GLY  39 -14.008  -2.507   0.471
  284    H    TYR  40           HN       TYR  40 -11.149  -1.347  -1.121
  285    HA   TYR  40           HA       TYR  40 -10.698   0.448   1.074
  286    HB2  TYR  40           HB2      TYR  40  -9.015  -0.617  -1.114
  287    HB3  TYR  40           HB1      TYR  40  -8.568   0.937  -0.442
  288    HD1  TYR  40           HD2      TYR  40  -9.865  -2.210   1.136
  289    HD2  TYR  40           HD1      TYR  40  -6.779   0.699   0.936
  290    HE1  TYR  40           HE2      TYR  40  -8.725  -3.299   3.014
  291    HE2  TYR  40           HE1      TYR  40  -5.637  -0.377   2.823
  292    HH   TYR  40           HH       TYR  40  -6.219  -1.804   4.692
  293    H    ASP  41           HN       ASP  41 -11.329   2.360   1.157
  294    HA   ASP  41           HA       ASP  41 -12.224   3.919  -1.039
  295    HB2  ASP  41           HB2      ASP  41 -11.559   4.703   1.815
  296    HB3  ASP  41           HB1      ASP  41 -12.234   5.805   0.628
  297    H    SER  42           HN       SER  42 -11.350   5.988  -1.596
  298    HA   SER  42           HA       SER  42  -8.703   5.994  -2.477
  299    HB2  SER  42           HB2      SER  42 -10.629   7.256  -3.424
  300    HB3  SER  42           HB1      SER  42 -10.634   8.276  -1.989
  301    H    LEU  43           HN       LEU  43 -10.317   7.581   0.226
  302    HA   LEU  43           HA       LEU  43  -8.106   8.940   1.295
  303    HB2  LEU  43           HB2      LEU  43 -10.619   7.983   2.663
  304    HB3  LEU  43           HB1      LEU  43  -9.479   9.127   3.336
  305    HG   LEU  43           HG       LEU  43 -11.055   9.599   0.809
  306   HD11  LEU  43          HD11      LEU  43 -12.506   9.545   2.751
  307   HD12  LEU  43          HD12      LEU  43 -12.322  11.194   2.143
  308   HD13  LEU  43          HD13      LEU  43 -11.456  10.691   3.587
  309   HD21  LEU  43          HD21      LEU  43 -10.249  11.903   1.058
  310   HD22  LEU  43          HD22      LEU  43  -8.920  10.753   0.846
  311   HD23  LEU  43          HD23      LEU  43  -9.278  11.399   2.444
  312    H    ALA  44           HN       ALA  44  -9.348   5.708   1.869
  313    HA   ALA  44           HA       ALA  44  -7.764   5.100   4.110
  314    HB1  ALA  44           HB1      ALA  44  -8.380   2.779   3.696
  315    HB2  ALA  44           HB2      ALA  44  -8.982   3.209   2.095
  316    HB3  ALA  44           HB3      ALA  44  -9.788   3.826   3.537
  317    H    LEU  45           HN       LEU  45  -7.176   4.924   0.649
  318    HA   LEU  45           HA       LEU  45  -4.783   3.405   0.920
  319    HB2  LEU  45           HB2      LEU  45  -6.104   3.451  -1.118
  320    HB3  LEU  45           HB1      LEU  45  -5.707   5.139  -1.349
  321    HG   LEU  45           HG       LEU  45  -3.621   4.644  -2.260
  322   HD11  LEU  45          HD11      LEU  45  -2.782   3.518  -0.150
  323   HD12  LEU  45          HD12      LEU  45  -2.236   2.771  -1.641
  324   HD13  LEU  45          HD13      LEU  45  -3.550   2.026  -0.712
  325   HD21  LEU  45          HD21      LEU  45  -3.758   2.633  -3.525
  326   HD22  LEU  45          HD22      LEU  45  -5.386   3.395  -3.420
  327   HD23  LEU  45          HD23      LEU  45  -4.916   2.059  -2.320
  328    H    MET  46           HN       MET  46  -5.565   6.818   1.004
  329    HA   MET  46           HA       MET  46  -2.906   7.863   0.797
  330    HB2  MET  46           HB2      MET  46  -4.996   9.030   2.607
  331    HB3  MET  46           HB1      MET  46  -3.734   9.875   1.725
  332    HG2  MET  46           HG2      MET  46  -4.951   9.192  -0.351
  333    HG3  MET  46           HG1      MET  46  -6.205   8.630   0.762
  334    HE1  MET  46           HE1      MET  46  -4.157  11.745  -0.440
  335    HE2  MET  46           HE2      MET  46  -3.863  11.714   1.296
  336    HE3  MET  46           HE3      MET  46  -4.817  13.018   0.583
  337    H    GLU  47           HN       GLU  47  -5.030   7.138   3.423
  338    HA   GLU  47           HA       GLU  47  -3.506   7.438   5.649
  339    HB2  GLU  47           HB2      GLU  47  -5.728   5.893   4.671
  340    HB3  GLU  47           HB1      GLU  47  -5.226   5.403   6.311
  341    HG2  GLU  47           HG2      GLU  47  -5.560   7.946   6.783
  342    HG3  GLU  47           HG1      GLU  47  -6.322   7.981   5.204
  343    H    THR  48           HN       THR  48  -3.861   4.558   3.640
  344    HA   THR  48           HA       THR  48  -2.096   2.812   4.923
  345    HB   THR  48           HB       THR  48  -2.959   3.051   2.036
  346    HG1  THR  48           HG1      THR  48  -4.672   2.650   3.400
  347   HG21  THR  48          HG21      THR  48  -2.316   0.750   1.701
  348   HG22  THR  48          HG22      THR  48  -1.731   0.615   3.370
  349   HG23  THR  48          HG23      THR  48  -0.895   1.658   2.220
  350    H    ALA  49           HN       ALA  49  -1.499   4.965   2.098
  351    HA   ALA  49           HA       ALA  49   1.196   4.326   1.735
  352    HB1  ALA  49           HB1      ALA  49  -0.191   5.447   0.042
  353    HB2  ALA  49           HB2      ALA  49   1.326   6.297   0.336
  354    HB3  ALA  49           HB3      ALA  49  -0.179   6.914   1.023
  355    H    ALA  50           HN       ALA  50  -0.297   6.980   3.573
  356    HA   ALA  50           HA       ALA  50   2.034   8.352   4.278
  357    HB1  ALA  50           HB1      ALA  50   0.713   9.376   6.050
  358    HB2  ALA  50           HB2      ALA  50  -0.509   8.123   5.882
  359    HB3  ALA  50           HB3      ALA  50  -0.233   9.261   4.562
  360    H    ARG  51           HN       ARG  51   0.369   5.706   5.870
  361    HA   ARG  51           HA       ARG  51   1.797   5.476   8.188
  362    HB2  ARG  51           HB2      ARG  51  -0.191   4.184   7.836
  363    HB3  ARG  51           HB1      ARG  51   0.474   3.417   6.414
  364    HG2  ARG  51           HG2      ARG  51   0.404   1.764   8.053
  365    HG3  ARG  51           HG1      ARG  51   2.094   2.245   7.959
  366    HD2  ARG  51           HD2      ARG  51   1.106   1.827  10.179
  367    HD3  ARG  51           HD1      ARG  51   1.958   3.345  10.115
  368    HE   ARG  51           HE       ARG  51  -0.338   4.341   9.795
  369   HH11  ARG  51          HH11      ARG  51  -0.043   1.096  11.267
  370   HH12  ARG  51          HH12      ARG  51  -1.388   1.299  12.258
  371   HH21  ARG  51          HH21      ARG  51  -2.279   4.544  11.196
  372   HH22  ARG  51          HH22      ARG  51  -2.663   3.246  12.231
  373    H    LEU  52           HN       LEU  52   2.318   3.970   5.058
  374    HA   LEU  52           HA       LEU  52   4.651   2.516   5.662
  375    HB2  LEU  52           HB2      LEU  52   3.501   3.468   3.049
  376    HB3  LEU  52           HB1      LEU  52   4.879   2.391   3.154
  377    HG   LEU  52           HG       LEU  52   2.129   1.744   4.242
  378   HD11  LEU  52          HD11      LEU  52   1.905   0.257   2.355
  379   HD12  LEU  52          HD12      LEU  52   3.470   0.770   1.733
  380   HD13  LEU  52          HD13      LEU  52   2.128   1.913   1.795
  381   HD21  LEU  52          HD21      LEU  52   4.589   0.061   3.849
  382   HD22  LEU  52          HD22      LEU  52   3.025  -0.513   4.419
  383   HD23  LEU  52          HD23      LEU  52   3.959   0.626   5.393
  384    H    GLU  53           HN       GLU  53   4.135   5.710   4.270
  385    HA   GLU  53           HA       GLU  53   6.768   6.312   3.564
  386    HB2  GLU  53           HB2      GLU  53   4.639   8.197   4.520
  387    HB3  GLU  53           HB1      GLU  53   6.144   8.672   3.765
  388    HG2  GLU  53           HG2      GLU  53   5.445   7.469   1.738
  389    HG3  GLU  53           HG1      GLU  53   3.884   7.155   2.510
  390    H    SER  54           HN       SER  54   5.033   7.037   6.556
  391    HA   SER  54           HA       SER  54   7.199   8.444   7.699
  392    HB2  SER  54           HB2      SER  54   4.841   8.784   8.377
  393    HB3  SER  54           HB1      SER  54   4.834   7.175   9.101
  394    HG   SER  54           HG       SER  54   6.622   9.250   9.826
  395    H    ARG  55           HN       ARG  55   6.094   5.101   7.958
  396    HA   ARG  55           HA       ARG  55   7.874   4.409  10.033
  397    HB2  ARG  55           HB2      ARG  55   5.842   3.139   9.610
  398    HB3  ARG  55           HB1      ARG  55   6.460   2.621   8.043
  399    HG2  ARG  55           HG2      ARG  55   8.241   1.376   9.136
  400    HG3  ARG  55           HG1      ARG  55   7.690   1.936  10.711
  401    HD2  ARG  55           HD2      ARG  55   6.106   0.232   8.782
  402    HD3  ARG  55           HD1      ARG  55   6.940  -0.340  10.223
  403    HE   ARG  55           HE       ARG  55   5.304   1.601  11.146
  404   HH11  ARG  55          HH11      ARG  55   4.757  -1.379   9.256
  405   HH12  ARG  55          HH12      ARG  55   3.174  -1.627   9.898
  406   HH21  ARG  55          HH21      ARG  55   3.122   1.164  12.013
  407   HH22  ARG  55          HH22      ARG  55   2.231  -0.179  11.427
  408    H    TYR  56           HN       TYR  56   8.088   3.850   6.496
  409    HA   TYR  56           HA       TYR  56  10.726   2.710   6.990
  410    HB2  TYR  56           HB2      TYR  56   9.093   2.704   4.449
  411    HB3  TYR  56           HB1      TYR  56  10.630   1.873   4.686
  412    HD1  TYR  56           HD1      TYR  56  10.755   0.167   6.614
  413    HD2  TYR  56           HD2      TYR  56   7.099   1.606   4.997
  414    HE1  TYR  56           HE1      TYR  56   9.589  -1.757   7.582
  415    HE2  TYR  56           HE2      TYR  56   5.904  -0.311   5.955
  416    HH   TYR  56           HH       TYR  56   6.533  -2.711   6.695
  417    H    GLY  57           HN       GLY  57   9.583   5.693   6.344
  418    HA2  GLY  57           HA2      GLY  57  10.786   7.623   5.953
  419    HA3  GLY  57           HA1      GLY  57  12.220   6.638   5.737
  420    H    VAL  58           HN       VAL  58   9.199   6.412   3.956
  421    HA   VAL  58           HA       VAL  58  10.739   7.012   1.548
  422    HB   VAL  58           HB       VAL  58   9.113   5.670   0.240
  423   HG11  VAL  58          HG11      VAL  58  10.240   4.210   2.607
  424   HG12  VAL  58          HG12      VAL  58  11.114   4.584   1.117
  425   HG13  VAL  58          HG13      VAL  58   9.739   3.470   1.090
  426   HG21  VAL  58          HG21      VAL  58   7.143   5.962   1.649
  427   HG22  VAL  58          HG22      VAL  58   7.894   4.999   2.921
  428   HG23  VAL  58          HG23      VAL  58   7.480   4.255   1.382
  429    H    SER  59           HN       SER  59   9.047   7.755  -0.337
  430    HA   SER  59           HA       SER  59   7.100   9.618   0.759
  431    HB2  SER  59           HB2      SER  59   9.381  10.498  -1.042
  432    HB3  SER  59           HB1      SER  59   8.042  11.517  -0.514
  433    HG   SER  59           HG       SER  59  10.138  10.392   1.025
  434    H    ILE  60           HN       ILE  60   5.297   9.169  -0.315
  435    HA   ILE  60           HA       ILE  60   5.431   8.635  -3.195
  436    HB   ILE  60           HB       ILE  60   3.601   7.295  -1.154
  437   HG12  ILE  60          HG12      ILE  60   4.406   5.168  -2.256
  438   HG13  ILE  60          HG11      ILE  60   5.579   6.125  -3.134
  439   HG21  ILE  60          HG21      ILE  60   2.433   6.177  -3.003
  440   HG22  ILE  60          HG22      ILE  60   3.350   7.155  -4.151
  441   HG23  ILE  60          HG23      ILE  60   2.223   7.930  -3.037
  442   HD11  ILE  60          HD11      ILE  60   6.565   5.008  -1.230
  443   HD12  ILE  60          HD12      ILE  60   5.410   5.796  -0.155
  444   HD13  ILE  60          HD13      ILE  60   6.614   6.758  -1.007
  445    HA   PRO  61           HA       PRO  61   2.877  12.316  -3.267
  446    HB2  PRO  61           HB2      PRO  61   2.417  11.480  -6.072
  447    HB3  PRO  61           HB1      PRO  61   3.083  12.992  -5.449
  448    HG2  PRO  61           HG2      PRO  61   4.645  11.199  -6.647
  449    HG3  PRO  61           HG1      PRO  61   5.227  12.121  -5.246
  450    HD2  PRO  61           HD2      PRO  61   4.197   9.307  -5.388
  451    HD3  PRO  61           HD1      PRO  61   5.603   9.948  -4.507
  452    H    ASP  62           HN       ASP  62   0.703  12.705  -3.122
  453    HA   ASP  62           HA       ASP  62  -1.039  10.599  -2.591
  454    HB2  ASP  62           HB2      ASP  62  -2.879  12.248  -2.510
  455    HB3  ASP  62           HB1      ASP  62  -1.475  12.738  -1.578
  456    H    ASP  63           HN       ASP  63  -0.651  12.423  -5.553
  457    HA   ASP  63           HA       ASP  63  -2.893  11.398  -6.911
  458    HB2  ASP  63           HB2      ASP  63  -1.570  13.299  -7.758
  459    HB3  ASP  63           HB1      ASP  63  -0.218  12.214  -8.042
  460    H    VAL  64           HN       VAL  64   0.392  10.222  -6.597
  461    HA   VAL  64           HA       VAL  64   0.049   8.116  -8.478
  462    HB   VAL  64           HB       VAL  64   2.285   8.407  -6.448
  463   HG11  VAL  64          HG11      VAL  64   3.588   7.050  -8.029
  464   HG12  VAL  64          HG12      VAL  64   2.155   6.874  -9.049
  465   HG13  VAL  64          HG13      VAL  64   2.176   6.180  -7.431
  466   HG21  VAL  64          HG21      VAL  64   2.116   9.406  -9.292
  467   HG22  VAL  64          HG22      VAL  64   3.543   9.485  -8.258
  468   HG23  VAL  64          HG23      VAL  64   2.102  10.403  -7.834
  469    H    ALA  65           HN       ALA  65  -0.442   8.359  -5.034
  470    HA   ALA  65           HA       ALA  65  -0.515   5.632  -4.406
  471    HB1  ALA  65           HB1      ALA  65  -0.507   7.381  -2.683
  472    HB2  ALA  65           HB2      ALA  65  -1.909   6.327  -2.485
  473    HB3  ALA  65           HB3      ALA  65  -2.101   7.919  -3.207
  474    H    GLY  66           HN       GLY  66  -2.787   7.788  -5.947
  475    HA2  GLY  66           HA2      GLY  66  -4.882   5.772  -5.923
  476    HA3  GLY  66           HA1      GLY  66  -5.029   7.422  -6.493
  477    H    ARG  67           HN       ARG  67  -2.191   6.134  -7.720
  478    HA   ARG  67           HA       ARG  67  -3.479   5.663 -10.297
  479    HB2  ARG  67           HB2      ARG  67  -0.579   6.104  -9.603
  480    HB3  ARG  67           HB1      ARG  67  -1.200   5.848 -11.224
  481    HG2  ARG  67           HG2      ARG  67  -1.831   8.177  -9.416
  482    HG3  ARG  67           HG1      ARG  67  -0.735   8.197 -10.796
  483    HD2  ARG  67           HD2      ARG  67  -2.562   7.783 -12.302
  484    HD3  ARG  67           HD1      ARG  67  -3.677   7.565 -10.948
  485    HE   ARG  67           HE       ARG  67  -2.417  10.081 -10.804
  486   HH11  ARG  67          HH11      ARG  67  -4.833   8.409 -12.790
  487   HH12  ARG  67          HH12      ARG  67  -5.846   9.757 -12.994
  488   HH21  ARG  67          HH21      ARG  67  -3.756  11.928 -11.062
  489   HH22  ARG  67          HH22      ARG  67  -5.179  11.858 -12.035
  490    H    VAL  68           HN       VAL  68  -2.474   3.928  -7.689
  491    HA   VAL  68           HA       VAL  68  -1.304   1.847  -9.279
  492    HB   VAL  68           HB       VAL  68  -0.921   0.553  -7.200
  493   HG11  VAL  68          HG11      VAL  68   0.759   2.029  -6.242
  494   HG12  VAL  68          HG12      VAL  68   0.055   3.391  -7.118
  495   HG13  VAL  68          HG13      VAL  68   0.781   2.046  -8.006
  496   HG21  VAL  68          HG21      VAL  68  -1.218   1.629  -5.034
  497   HG22  VAL  68          HG22      VAL  68  -2.767   1.306  -5.821
  498   HG23  VAL  68          HG23      VAL  68  -2.102   2.949  -5.801
  499    H    ASP  69           HN       ASP  69  -2.188  -0.441  -7.943
  500    HA   ASP  69           HA       ASP  69  -5.015  -0.596  -8.709
  501    HB2  ASP  69           HB2      ASP  69  -3.769  -0.933 -10.803
  502    HB3  ASP  69           HB1      ASP  69  -2.804  -2.168 -10.033
  503    H    THR  70           HN       THR  70  -2.229  -2.691  -8.202
  504    HA   THR  70           HA       THR  70  -3.726  -4.161  -6.211
  505    HB   THR  70           HB       THR  70  -2.177  -6.019  -6.874
  506    HG1  THR  70           HG1      THR  70  -1.271  -5.305  -9.149
  507   HG21  THR  70          HG21      THR  70  -3.674  -4.682  -9.128
  508   HG22  THR  70          HG22      THR  70  -4.367  -5.811  -7.957
  509   HG23  THR  70          HG23      THR  70  -3.165  -6.372  -9.131
  510    HA   PRO  71           HA       PRO  71  -0.900  -2.962  -2.984
  511    HB2  PRO  71           HB2      PRO  71  -0.300  -5.881  -2.692
  512    HB3  PRO  71           HB1      PRO  71  -0.736  -4.697  -1.453
  513    HG2  PRO  71           HG2      PRO  71  -2.551  -6.373  -2.284
  514    HG3  PRO  71           HG1      PRO  71  -2.980  -4.661  -2.095
  515    HD2  PRO  71           HD2      PRO  71  -2.391  -6.202  -4.590
  516    HD3  PRO  71           HD1      PRO  71  -3.637  -4.972  -4.292
  517    H    ARG  72           HN       ARG  72   0.285  -5.291  -5.326
  518    HA   ARG  72           HA       ARG  72   3.028  -5.077  -4.621
  519    HB2  ARG  72           HB2      ARG  72   3.489  -6.377  -6.565
  520    HB3  ARG  72           HB1      ARG  72   1.981  -6.972  -5.886
  521    HG2  ARG  72           HG2      ARG  72   0.898  -5.344  -7.595
  522    HG3  ARG  72           HG1      ARG  72   2.470  -5.442  -8.390
  523    HD2  ARG  72           HD2      ARG  72   0.566  -7.673  -7.767
  524    HD3  ARG  72           HD1      ARG  72   1.024  -7.072  -9.352
  525    HE   ARG  72           HE       ARG  72   3.370  -7.934  -8.243
  526   HH11  ARG  72          HH11      ARG  72   0.234  -9.325  -9.042
  527   HH12  ARG  72          HH12      ARG  72   0.772 -10.950  -9.012
  528   HH21  ARG  72          HH21      ARG  72   4.176 -10.140  -8.384
  529   HH22  ARG  72          HH22      ARG  72   3.097 -11.407  -8.738
  530    H    GLU  73           HN       GLU  73   0.929  -3.196  -6.666
  531    HA   GLU  73           HA       GLU  73   2.980  -1.780  -8.072
  532    HB2  GLU  73           HB2      GLU  73   0.155  -0.857  -7.484
  533    HB3  GLU  73           HB1      GLU  73   1.215  -0.266  -8.747
  534    HG2  GLU  73           HG2      GLU  73  -0.003  -3.010  -8.589
  535    HG3  GLU  73           HG1      GLU  73  -0.517  -1.695  -9.637
  536    H    LEU  74           HN       LEU  74   1.127  -1.361  -5.167
  537    HA   LEU  74           HA       LEU  74   1.897   1.280  -4.409
  538    HB2  LEU  74           HB2      LEU  74   0.072  -0.457  -3.492
  539    HB3  LEU  74           HB1      LEU  74   1.420  -0.893  -2.454
  540    HG   LEU  74           HG       LEU  74   0.019   1.796  -2.544
  541   HD11  LEU  74          HD11      LEU  74   0.021  -0.355  -0.460
  542   HD12  LEU  74          HD12      LEU  74  -1.322   0.127  -1.500
  543   HD13  LEU  74          HD13      LEU  74  -0.700   1.247  -0.290
  544   HD21  LEU  74          HD21      LEU  74   2.387   2.100  -2.004
  545   HD22  LEU  74          HD22      LEU  74   2.255   0.890  -0.725
  546   HD23  LEU  74          HD23      LEU  74   1.362   2.409  -0.602
  547    H    LEU  75           HN       LEU  75   2.957  -1.964  -3.487
  548    HA   LEU  75           HA       LEU  75   5.056  -1.431  -1.763
  549    HB2  LEU  75           HB2      LEU  75   3.988  -3.552  -2.039
  550    HB3  LEU  75           HB1      LEU  75   4.526  -3.650  -3.695
  551    HG   LEU  75           HG       LEU  75   6.830  -3.671  -2.868
  552   HD11  LEU  75          HD11      LEU  75   6.517  -2.733  -0.657
  553   HD12  LEU  75          HD12      LEU  75   7.216  -4.343  -0.519
  554   HD13  LEU  75          HD13      LEU  75   5.502  -4.095  -0.186
  555   HD21  LEU  75          HD21      LEU  75   4.999  -5.880  -2.015
  556   HD22  LEU  75          HD22      LEU  75   6.751  -6.054  -2.274
  557   HD23  LEU  75          HD23      LEU  75   5.673  -5.609  -3.619
  558    H    ASP  76           HN       ASP  76   4.922  -1.606  -5.256
  559    HA   ASP  76           HA       ASP  76   7.696  -1.673  -5.775
  560    HB2  ASP  76           HB2      ASP  76   5.902  -2.272  -7.424
  561    HB3  ASP  76           HB1      ASP  76   5.521  -0.556  -7.559
  562    H    LEU  77           HN       LEU  77   5.352   0.909  -5.437
  563    HA   LEU  77           HA       LEU  77   7.088   3.057  -6.051
  564    HB2  LEU  77           HB2      LEU  77   4.665   3.001  -4.274
  565    HB3  LEU  77           HB1      LEU  77   5.432   4.435  -4.911
  566    HG   LEU  77           HG       LEU  77   3.998   2.316  -6.497
  567   HD11  LEU  77          HD11      LEU  77   3.256   5.143  -5.787
  568   HD12  LEU  77          HD12      LEU  77   2.516   3.669  -5.157
  569   HD13  LEU  77          HD13      LEU  77   2.342   4.078  -6.856
  570   HD21  LEU  77          HD21      LEU  77   4.255   3.847  -8.394
  571   HD22  LEU  77          HD22      LEU  77   5.831   3.320  -7.789
  572   HD23  LEU  77          HD23      LEU  77   5.224   4.926  -7.387
  573    H    ILE  78           HN       ILE  78   6.148   1.426  -3.078
  574    HA   ILE  78           HA       ILE  78   7.427   3.083  -1.218
  575    HB   ILE  78           HB       ILE  78   7.048   0.071  -1.008
  576   HG12  ILE  78          HG12      ILE  78   4.906   1.199  -1.394
  577   HG13  ILE  78          HG11      ILE  78   5.000   0.597   0.256
  578   HG21  ILE  78          HG21      ILE  78   7.161   0.434   1.426
  579   HG22  ILE  78          HG22      ILE  78   7.515   2.136   1.144
  580   HG23  ILE  78          HG23      ILE  78   8.654   0.897   0.613
  581   HD11  ILE  78          HD11      ILE  78   5.482   2.844   1.053
  582   HD12  ILE  78          HD12      ILE  78   3.979   2.812   0.131
  583   HD13  ILE  78          HD13      ILE  78   5.453   3.445  -0.601
  584    H    ASN  79           HN       ASN  79   8.555  -0.039  -2.481
  585    HA   ASN  79           HA       ASN  79  11.164   0.158  -1.501
  586    HB2  ASN  79           HB2      ASN  79  10.107  -1.408  -3.848
  587    HB3  ASN  79           HB1      ASN  79  11.763  -1.534  -3.261
  588   HD21  ASN  79          HD21      ASN  79   9.894  -3.611  -3.385
  589   HD22  ASN  79          HD22      ASN  79   9.607  -4.170  -1.772
  590    H    GLY  80           HN       GLY  80   9.787   1.305  -4.524
  591    HA2  GLY  80           HA2      GLY  80  12.136   2.057  -5.816
  592    HA3  GLY  80           HA1      GLY  80  10.566   2.830  -6.025
  593    H    ALA  81           HN       ALA  81  10.070   3.926  -3.647
  594    HA   ALA  81           HA       ALA  81  11.770   6.202  -3.612
  595    HB1  ALA  81           HB1      ALA  81   9.602   5.394  -1.681
  596    HB2  ALA  81           HB2      ALA  81   9.378   6.347  -3.147
  597    HB3  ALA  81           HB3      ALA  81  10.325   6.995  -1.809
  598    H    LEU  82           HN       LEU  82  11.650   3.249  -1.764
  599    HA   LEU  82           HA       LEU  82  13.118   4.121   0.457
  600    HB2  LEU  82           HB2      LEU  82  11.609   2.218   0.515
  601    HB3  LEU  82           HB1      LEU  82  12.592   1.371  -0.659
  602    HG   LEU  82           HG       LEU  82  14.404   1.291   0.906
  603   HD11  LEU  82          HD11      LEU  82  12.448   2.481   2.902
  604   HD12  LEU  82          HD12      LEU  82  13.866   3.291   2.245
  605   HD13  LEU  82          HD13      LEU  82  14.063   1.879   3.286
  606   HD21  LEU  82          HD21      LEU  82  11.831   0.182   2.001
  607   HD22  LEU  82          HD22      LEU  82  13.442  -0.393   2.432
  608   HD23  LEU  82          HD23      LEU  82  12.849  -0.575   0.782
  609    H    ALA  83           HN       ALA  83  13.944   2.956  -2.696
  610    HA   ALA  83           HA       ALA  83  16.600   2.182  -2.173
  611    HB1  ALA  83           HB1      ALA  83  15.387   1.521  -4.208
  612    HB2  ALA  83           HB2      ALA  83  16.937   2.273  -4.580
  613    HB3  ALA  83           HB3      ALA  83  15.441   3.190  -4.773
  614    H    GLU  84           HN       GLU  84  15.147   5.359  -2.828
  615    HA   GLU  84           HA       GLU  84  17.752   6.566  -2.822
  616    HB2  GLU  84           HB2      GLU  84  14.975   7.599  -3.282
  617    HB3  GLU  84           HB1      GLU  84  16.349   8.662  -3.075
  618    HG2  GLU  84           HG2      GLU  84  16.020   8.525  -5.389
  619    HG3  GLU  84           HG1      GLU  84  17.370   7.435  -5.079
  620    H    ALA  85           HN       ALA  85  15.831   5.409  -0.503
  621    HA   ALA  85           HA       ALA  85  16.018   7.740   1.261
  622    HB1  ALA  85           HB1      ALA  85  14.471   6.606   2.731
  623    HB2  ALA  85           HB2      ALA  85  14.546   5.156   1.729
  624    HB3  ALA  85           HB3      ALA  85  13.825   6.637   1.090
  625    H    ALA  86           HN       ALA  86  17.027   4.410   0.952
  626    HA   ALA  86           HA       ALA  86  18.781   3.289   1.687
  627    HB1  ALA  86           HB1      ALA  86  20.136   5.362   1.691
  628    HB2  ALA  86           HB2      ALA  86  20.614   4.242   2.968
  629    HB3  ALA  86           HB3      ALA  86  19.637   5.655   3.359
  630   H28A  SDO 101          H28A      SDO  42  -9.320  11.812  -2.406
  631   H28B  SDO 101          H28B      SDO  42  -7.955  10.698  -2.220
  632   H30A  SDO 101          H30A      SDO  42  -8.027  13.499  -1.155
  633   H30B  SDO 101          H30B      SDO  42  -6.395  13.943  -1.651
  634   H30C  SDO 101          H30C      SDO  42  -6.727  12.326  -1.017
  635   H31A  SDO 101          H31A      SDO  42  -5.459  12.977  -3.792
  636   H31B  SDO 101          H31B      SDO  42  -6.349  11.699  -4.622
  637   H31C  SDO 101          H31C      SDO  42  -5.652  11.401  -3.024
  638   H32A  SDO 101          H32A      SDO  42  -8.424  13.403  -4.793
  639   H33A  SDO 101          H33A      SDO  42  -6.531  14.501  -4.951
  640   H36A  SDO 101          H36A      SDO  42  -8.185  16.127  -3.524
  641   H37A  SDO 101          H37A      SDO  42 -10.333  17.409  -3.158
  642   H37B  SDO 101          H37B      SDO  42 -10.645  16.252  -1.860
  643   H38A  SDO 101          H38A      SDO  42  -8.289  18.162  -2.002
  644   H38B  SDO 101          H38B      SDO  42  -9.736  18.418  -1.044
  645   H41A  SDO 101          H41A      SDO  42  -6.805  17.952  -0.421
  646   H42A  SDO 101          H42A      SDO  42  -6.905  16.913   2.095
  647   H42B  SDO 101          H42B      SDO  42  -6.736  15.510   1.045
  648   H43A  SDO 101          H43A      SDO  42  -4.781  17.755   1.291
  649   H43B  SDO 101          H43B      SDO  42  -4.767  16.548   0.042
  650    H1A  SDO 101           H1A      SDO  42  -4.531  13.395   2.801
  651    H1B  SDO 101           H1B      SDO  42  -4.588  14.556   4.108
  652    H2A  SDO 101           H2A      SDO  42  -6.695  14.213   2.015
  653    H2B  SDO 101           H2B      SDO  42  -6.766  15.314   3.357
  654    H4A  SDO 101           H4A      SDO  42  -7.007  11.227   4.532
  655    H4B  SDO 101           H4B      SDO  42  -7.019  12.354   5.865
  656    H5A  SDO 101           H5A      SDO  42  -4.737  12.963   5.485
  657    H5B  SDO 101           H5B      SDO  42  -4.672  11.926   4.060
  658    H6A  SDO 101           H6A      SDO  42  -5.162   9.975   5.477
  659    H6B  SDO 101           H6B      SDO  42  -5.182  11.021   6.892
  660    H8A  SDO 101           H8A      SDO  42  -1.578  12.027   6.141
  661    H8B  SDO 101           H8B      SDO  42  -2.832  12.432   4.964
  662    H8C  SDO 101           H8C      SDO  42  -1.717  11.098   4.646
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  21.154  -4.173   5.061
    2    H2   MET   1           HT2      MET   1  22.198  -5.070   4.067
    3    H3   MET   1           HT3      MET   1  22.344  -5.198   5.732
    4    HA   MET   1           HA       MET   1  21.272  -7.070   4.605
    5    HB2  MET   1           HB2      MET   1  19.290  -7.259   6.100
    6    HB3  MET   1           HB1      MET   1  20.722  -6.736   6.962
    7    HG2  MET   1           HG2      MET   1  19.870  -4.450   6.980
    8    HG3  MET   1           HG1      MET   1  18.470  -4.957   6.044
    9    HE1  MET   1           HE1      MET   1  16.950  -3.774   7.927
   10    HE2  MET   1           HE2      MET   1  18.374  -3.376   8.894
   11    HE3  MET   1           HE3      MET   1  17.003  -4.200   9.634
   12    H    ALA   2           HN       ALA   2  18.687  -7.589   4.159
   13    HA   ALA   2           HA       ALA   2  18.122  -5.833   1.897
   14    HB1  ALA   2           HB1      ALA   2  17.149  -8.643   2.474
   15    HB2  ALA   2           HB2      ALA   2  18.430  -8.213   1.339
   16    HB3  ALA   2           HB3      ALA   2  16.771  -7.698   1.035
   17    H    THR   3           HN       THR   3  17.001  -4.206   2.867
   18    HA   THR   3           HA       THR   3  14.556  -5.022   4.237
   19    HB   THR   3           HB       THR   3  15.923  -2.321   4.444
   20    HG1  THR   3           HG1      THR   3  16.449  -4.785   5.539
   21   HG21  THR   3          HG21      THR   3  13.512  -2.492   5.156
   22   HG22  THR   3          HG22      THR   3  14.588  -2.138   6.510
   23   HG23  THR   3          HG23      THR   3  13.978  -3.774   6.275
   24    H    LEU   4           HN       LEU   4  14.393  -5.295   1.731
   25    HA   LEU   4           HA       LEU   4  13.229  -2.891   0.559
   26    HB2  LEU   4           HB2      LEU   4  14.791  -4.600  -0.700
   27    HB3  LEU   4           HB1      LEU   4  13.380  -5.637  -0.707
   28    HG   LEU   4           HG       LEU   4  12.171  -3.802  -1.905
   29   HD11  LEU   4          HD11      LEU   4  13.553  -2.081  -3.000
   30   HD12  LEU   4          HD12      LEU   4  14.947  -2.637  -2.059
   31   HD13  LEU   4          HD13      LEU   4  13.542  -1.942  -1.243
   32   HD21  LEU   4          HD21      LEU   4  13.247  -4.258  -4.068
   33   HD22  LEU   4          HD22      LEU   4  13.039  -5.719  -3.106
   34   HD23  LEU   4          HD23      LEU   4  14.628  -4.961  -3.221
   35    H    LEU   5           HN       LEU   5  10.878  -3.078   0.000
   36    HA   LEU   5           HA       LEU   5   9.647  -4.395   2.175
   37    HB2  LEU   5           HB2      LEU   5   8.862  -2.207   1.275
   38    HB3  LEU   5           HB1      LEU   5   8.206  -3.065  -0.117
   39    HG   LEU   5           HG       LEU   5   6.765  -4.374   1.384
   40   HD11  LEU   5          HD11      LEU   5   7.863  -2.573   3.522
   41   HD12  LEU   5          HD12      LEU   5   8.176  -4.307   3.336
   42   HD13  LEU   5          HD13      LEU   5   6.559  -3.743   3.713
   43   HD21  LEU   5          HD21      LEU   5   6.503  -1.396   1.761
   44   HD22  LEU   5          HD22      LEU   5   5.269  -2.617   2.081
   45   HD23  LEU   5          HD23      LEU   5   5.839  -2.353   0.419
   46    H    THR   6           HN       THR   6   8.694  -6.251   2.335
   47    HA   THR   6           HA       THR   6   8.820  -8.078   0.107
   48    HB   THR   6           HB       THR   6   8.311  -9.766   1.797
   49    HG1  THR   6           HG1      THR   6   8.455  -8.198   4.063
   50   HG21  THR   6          HG21      THR   6  10.430  -7.811   2.744
   51   HG22  THR   6          HG22      THR   6  10.674  -9.090   1.561
   52   HG23  THR   6          HG23      THR   6  10.312  -9.499   3.240
   53    H    THR   7           HN       THR   7   6.857  -9.769   0.371
   54    HA   THR   7           HA       THR   7   4.446  -8.343  -0.223
   55    HB   THR   7           HB       THR   7   4.743 -11.312   0.264
   56    HG1  THR   7           HG1      THR   7   5.446  -9.919  -2.136
   57   HG21  THR   7          HG21      THR   7   3.176  -9.715  -1.776
   58   HG22  THR   7          HG22      THR   7   2.502 -10.370  -0.285
   59   HG23  THR   7          HG23      THR   7   3.090 -11.461  -1.546
   60    H    ASP   8           HN       ASP   8   5.922 -10.223   2.314
   61    HA   ASP   8           HA       ASP   8   3.736 -10.747   3.983
   62    HB2  ASP   8           HB2      ASP   8   5.799 -11.985   4.148
   63    HB3  ASP   8           HB1      ASP   8   6.674 -10.533   4.622
   64    H    ASP   9           HN       ASP   9   6.218  -8.203   4.187
   65    HA   ASP   9           HA       ASP   9   5.134  -6.922   6.450
   66    HB2  ASP   9           HB2      ASP   9   6.869  -5.810   4.245
   67    HB3  ASP   9           HB1      ASP   9   6.333  -4.882   5.623
   68    H    LEU  10           HN       LEU  10   4.558  -6.479   3.024
   69    HA   LEU  10           HA       LEU  10   2.945  -4.170   3.340
   70    HB2  LEU  10           HB2      LEU  10   3.968  -4.798   1.188
   71    HB3  LEU  10           HB1      LEU  10   2.888  -6.176   1.085
   72    HG   LEU  10           HG       LEU  10   0.963  -4.551   1.144
   73   HD11  LEU  10          HD11      LEU  10   3.143  -2.528   0.706
   74   HD12  LEU  10          HD12      LEU  10   2.068  -2.634   2.097
   75   HD13  LEU  10          HD13      LEU  10   1.418  -2.232   0.509
   76   HD21  LEU  10          HD21      LEU  10   1.185  -3.957  -1.223
   77   HD22  LEU  10          HD22      LEU  10   1.725  -5.613  -0.923
   78   HD23  LEU  10          HD23      LEU  10   2.909  -4.327  -1.150
   79    H    ARG  11           HN       ARG  11   2.244  -7.619   3.214
   80    HA   ARG  11           HA       ARG  11  -0.527  -7.605   3.250
   81    HB2  ARG  11           HB2      ARG  11   0.771  -9.675   3.064
   82    HB3  ARG  11           HB1      ARG  11   1.378  -9.446   4.703
   83    HG2  ARG  11           HG2      ARG  11  -0.818  -9.855   5.620
   84    HG3  ARG  11           HG1      ARG  11  -1.516  -9.924   3.995
   85    HD2  ARG  11           HD2      ARG  11  -1.193 -12.178   4.944
   86    HD3  ARG  11           HD1      ARG  11  -0.223 -11.918   3.500
   87    HE   ARG  11           HE       ARG  11   1.574 -11.340   5.353
   88   HH11  ARG  11          HH11      ARG  11  -0.723 -14.096   5.330
   89   HH12  ARG  11          HH12      ARG  11   0.318 -15.075   6.243
   90   HH21  ARG  11          HH21      ARG  11   2.964 -12.779   6.584
   91   HH22  ARG  11          HH22      ARG  11   2.362 -14.331   6.993
   92    H    ARG  12           HN       ARG  12   1.687  -7.583   5.945
   93    HA   ARG  12           HA       ARG  12  -0.268  -7.372   7.949
   94    HB2  ARG  12           HB2      ARG  12   2.688  -6.799   7.948
   95    HB3  ARG  12           HB1      ARG  12   1.697  -6.805   9.407
   96    HG2  ARG  12           HG2      ARG  12   1.148  -9.101   9.129
   97    HG3  ARG  12           HG1      ARG  12   1.843  -9.134   7.517
   98    HD2  ARG  12           HD2      ARG  12   3.259 -10.245   9.157
   99    HD3  ARG  12           HD1      ARG  12   4.049  -8.841   8.446
  100    HE   ARG  12           HE       ARG  12   3.900  -7.723  10.447
  101   HH11  ARG  12          HH11      ARG  12   2.035 -10.691  10.864
  102   HH12  ARG  12          HH12      ARG  12   2.512 -10.951  12.477
  103   HH21  ARG  12          HH21      ARG  12   4.565  -8.087  12.691
  104   HH22  ARG  12          HH22      ARG  12   4.039  -9.476  13.537
  105    H    ALA  13           HN       ALA  13   1.672  -4.923   6.301
  106    HA   ALA  13           HA       ALA  13   0.785  -2.719   7.810
  107    HB1  ALA  13           HB1      ALA  13   1.562  -1.357   5.938
  108    HB2  ALA  13           HB2      ALA  13   1.702  -2.796   4.948
  109    HB3  ALA  13           HB3      ALA  13   2.738  -2.595   6.367
  110    H    LEU  14           HN       LEU  14  -0.477  -4.163   4.809
  111    HA   LEU  14           HA       LEU  14  -2.463  -2.227   4.447
  112    HB2  LEU  14           HB2      LEU  14  -1.471  -3.790   2.736
  113    HB3  LEU  14           HB1      LEU  14  -2.440  -5.062   3.438
  114    HG   LEU  14           HG       LEU  14  -4.472  -3.819   2.843
  115   HD11  LEU  14          HD11      LEU  14  -2.532  -1.955   1.477
  116   HD12  LEU  14          HD12      LEU  14  -3.561  -1.568   2.854
  117   HD13  LEU  14          HD13      LEU  14  -4.282  -1.914   1.280
  118   HD21  LEU  14          HD21      LEU  14  -2.590  -4.312   0.534
  119   HD22  LEU  14          HD22      LEU  14  -4.350  -4.257   0.443
  120   HD23  LEU  14          HD23      LEU  14  -3.556  -5.539   1.352
  121    H    VAL  15           HN       VAL  15  -2.323  -5.172   6.337
  122    HA   VAL  15           HA       VAL  15  -5.113  -5.335   6.995
  123    HB   VAL  15           HB       VAL  15  -2.672  -6.310   8.536
  124   HG11  VAL  15          HG11      VAL  15  -4.258  -7.788   9.766
  125   HG12  VAL  15          HG12      VAL  15  -5.602  -6.999   8.943
  126   HG13  VAL  15          HG13      VAL  15  -4.587  -6.078  10.052
  127   HG21  VAL  15          HG21      VAL  15  -4.595  -7.838   6.777
  128   HG22  VAL  15          HG22      VAL  15  -3.254  -8.523   7.697
  129   HG23  VAL  15          HG23      VAL  15  -2.929  -7.397   6.378
  130    H    GLU  16           HN       GLU  16  -2.283  -4.168   8.739
  131    HA   GLU  16           HA       GLU  16  -3.472  -3.114  10.984
  132    HB2  GLU  16           HB2      GLU  16  -0.927  -2.427   9.563
  133    HB3  GLU  16           HB1      GLU  16  -1.404  -1.612  11.049
  134    HG2  GLU  16           HG2      GLU  16  -1.158  -4.598  10.807
  135    HG3  GLU  16           HG1      GLU  16   0.171  -3.555  11.308
  136    H    SER  17           HN       SER  17  -3.071  -1.559   7.833
  137    HA   SER  17           HA       SER  17  -3.986   0.946   8.967
  138    HB2  SER  17           HB2      SER  17  -3.199   0.351   6.116
  139    HB3  SER  17           HB1      SER  17  -3.346   1.935   6.883
  140    HG   SER  17           HG       SER  17  -1.420  -0.043   7.180
  141    H    ALA  18           HN       ALA  18  -5.539  -1.747   7.906
  142    HA   ALA  18           HA       ALA  18  -7.546  -0.525   6.246
  143    HB1  ALA  18           HB1      ALA  18  -7.504  -3.250   7.549
  144    HB2  ALA  18           HB2      ALA  18  -6.924  -2.876   5.922
  145    HB3  ALA  18           HB3      ALA  18  -8.635  -2.703   6.306
  146    H    GLY  19           HN       GLY  19  -9.650  -0.147   6.791
  147    HA2  GLY  19           HA2      GLY  19 -10.133   0.480   9.573
  148    HA3  GLY  19           HA1      GLY  19 -11.199   0.843   8.224
  149    H    GLU  20           HN       GLU  20 -13.010  -0.328   8.085
  150    HA   GLU  20           HA       GLU  20 -12.985  -3.097   8.979
  151    HB2  GLU  20           HB2      GLU  20 -13.673  -1.541  10.914
  152    HB3  GLU  20           HB1      GLU  20 -15.088  -1.139   9.965
  153    HG2  GLU  20           HG2      GLU  20 -14.385  -3.925  10.893
  154    HG3  GLU  20           HG1      GLU  20 -15.448  -2.837  11.765
  155    H    THR  21           HN       THR  21 -13.600  -4.034   7.152
  156    HA   THR  21           HA       THR  21 -16.126  -3.367   6.071
  157    HB   THR  21           HB       THR  21 -14.792  -1.703   4.909
  158    HG1  THR  21           HG1      THR  21 -16.342  -2.313   3.599
  159   HG21  THR  21          HG21      THR  21 -13.002  -2.324   3.282
  160   HG22  THR  21          HG22      THR  21 -13.085  -3.984   3.871
  161   HG23  THR  21          HG23      THR  21 -12.578  -2.693   4.956
  162    H    ASP  22           HN       ASP  22 -16.457  -5.391   6.931
  163    HA   ASP  22           HA       ASP  22 -16.926  -7.568   6.876
  164    HB2  ASP  22           HB2      ASP  22 -15.953  -7.415   4.095
  165    HB3  ASP  22           HB1      ASP  22 -16.758  -8.852   4.736
  166    H    GLY  23           HN       GLY  23 -14.325  -6.581   7.372
  167    HA2  GLY  23           HA2      GLY  23 -12.303  -7.507   8.245
  168    HA3  GLY  23           HA1      GLY  23 -12.975  -9.094   7.867
  169    H    THR  24           HN       THR  24 -13.053  -9.616   5.541
  170    HA   THR  24           HA       THR  24 -12.073 -10.100   3.648
  171    HB   THR  24           HB       THR  24 -10.792  -7.386   3.857
  172    HG1  THR  24           HG1      THR  24 -12.965  -6.970   3.779
  173   HG21  THR  24          HG21      THR  24 -10.719  -7.561   1.402
  174   HG22  THR  24          HG22      THR  24 -11.374  -9.214   1.572
  175   HG23  THR  24          HG23      THR  24  -9.778  -8.827   2.217
  176    H    ASP  25           HN       ASP  25 -10.918 -11.741   4.109
  177    HA   ASP  25           HA       ASP  25  -8.516 -11.750   5.629
  178    HB2  ASP  25           HB2      ASP  25  -9.686 -13.920   3.856
  179    HB3  ASP  25           HB1      ASP  25  -8.272 -14.144   4.877
  180    H    LEU  26           HN       LEU  26  -6.745 -10.947   5.058
  181    HA   LEU  26           HA       LEU  26  -6.127 -10.429   2.230
  182    HB2  LEU  26           HB2      LEU  26  -6.305  -8.714   4.153
  183    HB3  LEU  26           HB1      LEU  26  -4.763  -9.351   4.672
  184    HG   LEU  26           HG       LEU  26  -3.818  -8.711   2.454
  185   HD11  LEU  26          HD11      LEU  26  -5.089  -7.111   1.097
  186   HD12  LEU  26          HD12      LEU  26  -6.483  -7.342   2.154
  187   HD13  LEU  26          HD13      LEU  26  -5.889  -8.681   1.179
  188   HD21  LEU  26          HD21      LEU  26  -3.506  -7.319   4.408
  189   HD22  LEU  26          HD22      LEU  26  -5.061  -6.547   4.132
  190   HD23  LEU  26          HD23      LEU  26  -3.747  -6.315   2.979
  191    H    SER  27           HN       SER  27  -5.667 -13.028   3.631
  192    HA   SER  27           HA       SER  27  -2.755 -13.116   3.338
  193    HB2  SER  27           HB2      SER  27  -3.681 -13.737   5.625
  194    HB3  SER  27           HB1      SER  27  -4.428 -15.135   4.851
  195    HG   SER  27           HG       SER  27  -2.594 -16.044   5.286
  196    H    GLY  28           HN       GLY  28  -1.908 -14.987   2.171
  197    HA2  GLY  28           HA2      GLY  28  -2.218 -16.762   0.601
  198    HA3  GLY  28           HA1      GLY  28  -3.884 -16.225   0.380
  199    H    ASP  29           HN       ASP  29  -4.271 -15.119  -1.416
  200    HA   ASP  29           HA       ASP  29  -2.063 -13.454  -2.331
  201    HB2  ASP  29           HB2      ASP  29  -2.440 -15.071  -4.102
  202    HB3  ASP  29           HB1      ASP  29  -4.154 -14.636  -4.163
  203    H    PHE  30           HN       PHE  30  -2.252 -11.614  -1.881
  204    HA   PHE  30           HA       PHE  30  -4.829 -10.204  -2.192
  205    HB2  PHE  30           HB2      PHE  30  -4.278  -8.835  -0.289
  206    HB3  PHE  30           HB1      PHE  30  -4.063 -10.511   0.212
  207    HD1  PHE  30           HD2      PHE  30  -1.744 -11.470   0.323
  208    HD2  PHE  30           HD1      PHE  30  -2.479  -7.317  -0.227
  209    HE1  PHE  30           HE2      PHE  30   0.598 -10.975   0.913
  210    HE2  PHE  30           HE1      PHE  30  -0.148  -6.821   0.361
  211    HZ   PHE  30           HZ       PHE  30   1.390  -8.650   0.929
  212    H    LEU  31           HN       LEU  31  -1.532 -10.565  -2.963
  213    HA   LEU  31           HA       LEU  31  -0.814  -7.848  -3.334
  214    HB2  LEU  31           HB2      LEU  31   0.722  -9.783  -2.821
  215    HB3  LEU  31           HB1      LEU  31   0.506 -10.301  -4.472
  216    HG   LEU  31           HG       LEU  31   1.419  -8.082  -5.195
  217   HD11  LEU  31          HD11      LEU  31   2.733  -6.822  -3.551
  218   HD12  LEU  31          HD12      LEU  31   2.126  -7.891  -2.287
  219   HD13  LEU  31          HD13      LEU  31   1.010  -6.847  -3.168
  220   HD21  LEU  31          HD21      LEU  31   2.777 -10.093  -5.239
  221   HD22  LEU  31          HD22      LEU  31   3.198  -9.869  -3.545
  222   HD23  LEU  31          HD23      LEU  31   3.755  -8.708  -4.751
  223    H    ASP  32           HN       ASP  32  -1.882 -10.488  -5.435
  224    HA   ASP  32           HA       ASP  32  -1.701  -8.748  -7.767
  225    HB2  ASP  32           HB2      ASP  32  -0.892 -11.135  -7.787
  226    HB3  ASP  32           HB1      ASP  32  -2.562 -11.650  -7.586
  227    H    LEU  33           HN       LEU  33  -3.762  -9.322  -5.356
  228    HA   LEU  33           HA       LEU  33  -6.288  -9.256  -6.757
  229    HB2  LEU  33           HB2      LEU  33  -5.938 -10.426  -4.574
  230    HB3  LEU  33           HB1      LEU  33  -5.602  -8.890  -3.816
  231    HG   LEU  33           HG       LEU  33  -7.960  -8.210  -4.279
  232   HD11  LEU  33          HD11      LEU  33  -9.561  -9.937  -4.918
  233   HD12  LEU  33          HD12      LEU  33  -8.238 -11.066  -5.213
  234   HD13  LEU  33          HD13      LEU  33  -8.408  -9.616  -6.208
  235   HD21  LEU  33          HD21      LEU  33  -7.656 -10.796  -2.740
  236   HD22  LEU  33          HD22      LEU  33  -8.949  -9.612  -2.543
  237   HD23  LEU  33          HD23      LEU  33  -7.290  -9.193  -2.117
  238    H    ARG  34           HN       ARG  34  -7.817  -7.284  -5.956
  239    HA   ARG  34           HA       ARG  34  -6.166  -4.881  -6.400
  240    HB2  ARG  34           HB2      ARG  34  -9.006  -5.376  -7.253
  241    HB3  ARG  34           HB1      ARG  34  -8.093  -3.905  -7.522
  242    HG2  ARG  34           HG2      ARG  34  -6.567  -5.100  -8.983
  243    HG3  ARG  34           HG1      ARG  34  -7.440  -6.604  -8.664
  244    HD2  ARG  34           HD2      ARG  34  -9.473  -5.591  -9.558
  245    HD3  ARG  34           HD1      ARG  34  -8.582  -4.118  -9.911
  246    HE   ARG  34           HE       ARG  34  -7.321  -6.311 -11.105
  247   HH11  ARG  34          HH11      ARG  34 -10.172  -4.266 -11.409
  248   HH12  ARG  34          HH12      ARG  34 -10.353  -4.530 -13.099
  249   HH21  ARG  34          HH21      ARG  34  -7.531  -6.640 -13.430
  250   HH22  ARG  34          HH22      ARG  34  -8.778  -5.877 -14.286
  251    H    PHE  35           HN       PHE  35  -7.048  -2.893  -5.588
  252    HA   PHE  35           HA       PHE  35  -7.954  -3.065  -2.906
  253    HB2  PHE  35           HB2      PHE  35  -7.698  -0.673  -4.753
  254    HB3  PHE  35           HB1      PHE  35  -8.080  -0.562  -3.041
  255    HD1  PHE  35           HD2      PHE  35  -6.375  -1.181  -1.357
  256    HD2  PHE  35           HD1      PHE  35  -5.488  -1.047  -5.515
  257    HE1  PHE  35           HE2      PHE  35  -3.969  -1.132  -0.841
  258    HE2  PHE  35           HE1      PHE  35  -3.079  -1.003  -5.003
  259    HZ   PHE  35           HZ       PHE  35  -2.322  -1.050  -2.657
  260    H    GLU  36           HN       GLU  36  -9.410  -2.650  -5.979
  261    HA   GLU  36           HA       GLU  36 -11.972  -1.746  -5.427
  262    HB2  GLU  36           HB2      GLU  36 -11.298  -3.979  -7.360
  263    HB3  GLU  36           HB1      GLU  36 -12.689  -2.925  -7.426
  264    HG2  GLU  36           HG2      GLU  36 -11.229  -1.010  -7.865
  265    HG3  GLU  36           HG1      GLU  36  -9.837  -2.086  -7.805
  266    H    ASP  37           HN       ASP  37 -10.599  -4.980  -5.071
  267    HA   ASP  37           HA       ASP  37 -13.151  -6.177  -4.412
  268    HB2  ASP  37           HB2      ASP  37 -11.320  -7.361  -5.667
  269    HB3  ASP  37           HB1      ASP  37 -10.415  -7.403  -4.157
  270    H    ILE  38           HN       ILE  38 -10.237  -5.177  -2.740
  271    HA   ILE  38           HA       ILE  38 -11.185  -6.289  -0.255
  272    HB   ILE  38           HB       ILE  38  -9.103  -5.395   0.771
  273   HG12  ILE  38          HG12      ILE  38  -8.489  -4.512  -2.057
  274   HG13  ILE  38          HG11      ILE  38  -8.763  -3.455  -0.679
  275   HG21  ILE  38          HG21      ILE  38  -9.184  -7.645  -0.113
  276   HG22  ILE  38          HG22      ILE  38  -7.592  -6.918  -0.352
  277   HG23  ILE  38          HG23      ILE  38  -8.703  -7.056  -1.716
  278   HD11  ILE  38          HD11      ILE  38  -6.470  -5.374  -1.041
  279   HD12  ILE  38          HD12      ILE  38  -6.743  -4.370   0.383
  280   HD13  ILE  38          HD13      ILE  38  -6.397  -3.613  -1.172
  281    H    GLY  39           HN       GLY  39 -12.511  -3.951  -1.590
  282    HA2  GLY  39           HA2      GLY  39 -13.773  -2.161  -0.926
  283    HA3  GLY  39           HA1      GLY  39 -13.601  -2.815   0.693
  284    H    TYR  40           HN       TYR  40 -11.043  -1.510  -1.391
  285    HA   TYR  40           HA       TYR  40 -10.487   0.361   0.748
  286    HB2  TYR  40           HB2      TYR  40  -8.794  -0.941  -1.255
  287    HB3  TYR  40           HB1      TYR  40  -8.436   0.770  -0.998
  288    HD1  TYR  40           HD2      TYR  40  -8.874  -2.453   0.748
  289    HD2  TYR  40           HD1      TYR  40  -7.213   1.451   0.914
  290    HE1  TYR  40           HE2      TYR  40  -7.635  -3.084   2.758
  291    HE2  TYR  40           HE1      TYR  40  -5.961   0.847   2.934
  292    HH   TYR  40           HH       TYR  40  -5.991  -0.854   4.761
  293    H    ASP  41           HN       ASP  41 -10.613   2.395   0.689
  294    HA   ASP  41           HA       ASP  41 -11.837   3.684  -1.650
  295    HB2  ASP  41           HB2      ASP  41 -12.573   3.801   0.914
  296    HB3  ASP  41           HB1      ASP  41 -11.366   5.080   0.937
  297    H    SER  42           HN       SER  42 -11.030   6.119  -1.737
  298    HA   SER  42           HA       SER  42  -8.300   6.015  -2.564
  299    HB2  SER  42           HB2      SER  42  -8.655   8.450  -2.990
  300    HB3  SER  42           HB1      SER  42  -9.922   7.437  -3.688
  301    H    LEU  43           HN       LEU  43 -10.046   7.630  -0.023
  302    HA   LEU  43           HA       LEU  43  -8.075   8.977   1.342
  303    HB2  LEU  43           HB2      LEU  43 -10.490   7.604   2.503
  304    HB3  LEU  43           HB1      LEU  43  -9.565   8.875   3.278
  305    HG   LEU  43           HG       LEU  43 -11.169   9.165   0.736
  306   HD11  LEU  43          HD11      LEU  43 -12.645  10.558   2.115
  307   HD12  LEU  43          HD12      LEU  43 -11.678  10.151   3.531
  308   HD13  LEU  43          HD13      LEU  43 -12.580   8.889   2.681
  309   HD21  LEU  43          HD21      LEU  43 -10.680  11.567   0.973
  310   HD22  LEU  43          HD22      LEU  43  -9.200  10.598   0.799
  311   HD23  LEU  43          HD23      LEU  43  -9.669  11.191   2.379
  312    H    ALA  44           HN       ALA  44  -9.132   5.647   1.739
  313    HA   ALA  44           HA       ALA  44  -7.563   5.047   3.991
  314    HB1  ALA  44           HB1      ALA  44  -8.684   3.165   1.919
  315    HB2  ALA  44           HB2      ALA  44  -9.527   3.718   3.369
  316    HB3  ALA  44           HB3      ALA  44  -8.081   2.716   3.517
  317    H    LEU  45           HN       LEU  45  -6.852   4.948   0.539
  318    HA   LEU  45           HA       LEU  45  -4.429   3.482   0.895
  319    HB2  LEU  45           HB2      LEU  45  -5.678   3.464  -1.182
  320    HB3  LEU  45           HB1      LEU  45  -5.336   5.167  -1.407
  321    HG   LEU  45           HG       LEU  45  -3.197   4.749  -2.229
  322   HD11  LEU  45          HD11      LEU  45  -2.373   3.649  -0.118
  323   HD12  LEU  45          HD12      LEU  45  -1.808   2.854  -1.589
  324   HD13  LEU  45          HD13      LEU  45  -3.126   2.136  -0.657
  325   HD21  LEU  45          HD21      LEU  45  -4.484   2.163  -2.362
  326   HD22  LEU  45          HD22      LEU  45  -3.196   2.721  -3.470
  327   HD23  LEU  45          HD23      LEU  45  -4.830   3.470  -3.513
  328    H    MET  46           HN       MET  46  -5.271   6.892   0.805
  329    HA   MET  46           HA       MET  46  -2.638   8.007   0.738
  330    HB2  MET  46           HB2      MET  46  -4.794   9.155   2.487
  331    HB3  MET  46           HB1      MET  46  -3.555  10.020   1.584
  332    HG2  MET  46           HG2      MET  46  -4.783   9.272  -0.480
  333    HG3  MET  46           HG1      MET  46  -5.999   8.675   0.642
  334    HE1  MET  46           HE1      MET  46  -7.089  11.948   2.560
  335    HE2  MET  46           HE2      MET  46  -5.734  10.908   2.982
  336    HE3  MET  46           HE3      MET  46  -7.259  10.197   2.446
  337    H    GLU  47           HN       GLU  47  -4.817   7.150   3.271
  338    HA   GLU  47           HA       GLU  47  -3.340   7.538   5.542
  339    HB2  GLU  47           HB2      GLU  47  -5.567   5.997   4.564
  340    HB3  GLU  47           HB1      GLU  47  -5.071   5.535   6.225
  341    HG2  GLU  47           HG2      GLU  47  -6.141   8.105   5.041
  342    HG3  GLU  47           HG1      GLU  47  -6.872   7.092   6.281
  343    H    THR  48           HN       THR  48  -3.670   4.572   3.612
  344    HA   THR  48           HA       THR  48  -1.935   2.876   4.974
  345    HB   THR  48           HB       THR  48  -2.622   3.071   2.028
  346    HG1  THR  48           HG1      THR  48  -4.405   2.644   3.378
  347   HG21  THR  48          HG21      THR  48  -1.358   0.682   3.463
  348   HG22  THR  48          HG22      THR  48  -0.575   1.726   2.279
  349   HG23  THR  48          HG23      THR  48  -1.930   0.733   1.785
  350    H    ALA  49           HN       ALA  49  -1.226   4.916   2.116
  351    HA   ALA  49           HA       ALA  49   1.457   4.321   1.839
  352    HB1  ALA  49           HB1      ALA  49   0.083   6.906   1.124
  353    HB2  ALA  49           HB2      ALA  49   0.112   5.448   0.126
  354    HB3  ALA  49           HB3      ALA  49   1.612   6.320   0.459
  355    H    ALA  50           HN       ALA  50  -0.023   7.056   3.601
  356    HA   ALA  50           HA       ALA  50   2.374   8.287   4.392
  357    HB1  ALA  50           HB1      ALA  50   0.995   9.449   6.059
  358    HB2  ALA  50           HB2      ALA  50  -0.320   8.314   5.755
  359    HB3  ALA  50           HB3      ALA  50   0.216   9.412   4.485
  360    H    ARG  51           HN       ARG  51   0.522   5.703   5.813
  361    HA   ARG  51           HA       ARG  51   1.931   5.653   8.288
  362    HB2  ARG  51           HB2      ARG  51  -0.451   4.853   7.810
  363    HB3  ARG  51           HB1      ARG  51   0.263   3.439   7.070
  364    HG2  ARG  51           HG2      ARG  51   0.947   4.141   9.883
  365    HG3  ARG  51           HG1      ARG  51  -0.599   3.387   9.521
  366    HD2  ARG  51           HD2      ARG  51   0.583   1.496   8.484
  367    HD3  ARG  51           HD1      ARG  51   2.124   2.269   8.863
  368    HE   ARG  51           HE       ARG  51   1.950   1.564  10.993
  369   HH11  ARG  51          HH11      ARG  51  -1.305   1.282   9.565
  370   HH12  ARG  51          HH12      ARG  51  -2.021   0.676  11.002
  371   HH21  ARG  51          HH21      ARG  51   0.981   0.606  12.898
  372   HH22  ARG  51          HH22      ARG  51  -0.655   0.168  12.908
  373    H    LEU  52           HN       LEU  52   2.340   4.232   5.174
  374    HA   LEU  52           HA       LEU  52   4.425   2.414   5.943
  375    HB2  LEU  52           HB2      LEU  52   3.564   3.464   3.256
  376    HB3  LEU  52           HB1      LEU  52   4.822   2.262   3.477
  377    HG   LEU  52           HG       LEU  52   1.936   1.905   4.289
  378   HD11  LEU  52          HD11      LEU  52   1.832   0.353   2.388
  379   HD12  LEU  52          HD12      LEU  52   3.465   0.839   1.921
  380   HD13  LEU  52          HD13      LEU  52   2.152   2.009   1.877
  381   HD21  LEU  52          HD21      LEU  52   2.565  -0.405   4.616
  382   HD22  LEU  52          HD22      LEU  52   3.543   0.657   5.639
  383   HD23  LEU  52          HD23      LEU  52   4.231  -0.039   4.166
  384    H    GLU  53           HN       GLU  53   4.267   5.586   4.403
  385    HA   GLU  53           HA       GLU  53   6.938   6.036   3.894
  386    HB2  GLU  53           HB2      GLU  53   4.793   7.973   4.686
  387    HB3  GLU  53           HB1      GLU  53   6.407   8.475   4.202
  388    HG2  GLU  53           HG2      GLU  53   6.076   7.346   2.051
  389    HG3  GLU  53           HG1      GLU  53   4.423   6.962   2.541
  390    H    SER  54           HN       SER  54   5.170   6.698   6.841
  391    HA   SER  54           HA       SER  54   7.379   7.863   8.135
  392    HB2  SER  54           HB2      SER  54   5.862   7.558  10.172
  393    HB3  SER  54           HB1      SER  54   5.276   8.577   8.849
  394    HG   SER  54           HG       SER  54   3.823   7.132   8.326
  395    H    ARG  55           HN       ARG  55   6.513   4.547   7.676
  396    HA   ARG  55           HA       ARG  55   8.062   3.627   9.941
  397    HB2  ARG  55           HB2      ARG  55   6.103   2.286   9.134
  398    HB3  ARG  55           HB1      ARG  55   6.966   1.974   7.635
  399    HG2  ARG  55           HG2      ARG  55   8.756   0.856   8.944
  400    HG3  ARG  55           HG1      ARG  55   7.799   1.090  10.399
  401    HD2  ARG  55           HD2      ARG  55   5.987  -0.291   9.334
  402    HD3  ARG  55           HD1      ARG  55   7.085  -0.611   7.992
  403    HE   ARG  55           HE       ARG  55   7.933  -1.239  10.718
  404   HH11  ARG  55          HH11      ARG  55   7.163  -2.569   7.430
  405   HH12  ARG  55          HH12      ARG  55   7.665  -4.139   7.841
  406   HH21  ARG  55          HH21      ARG  55   8.553  -3.489  11.193
  407   HH22  ARG  55          HH22      ARG  55   8.439  -4.669   9.973
  408    H    TYR  56           HN       TYR  56   8.437   3.739   6.418
  409    HA   TYR  56           HA       TYR  56  11.086   2.511   6.682
  410    HB2  TYR  56           HB2      TYR  56   9.588   3.130   4.131
  411    HB3  TYR  56           HB1      TYR  56  11.021   2.106   4.306
  412    HD1  TYR  56           HD1      TYR  56  10.733   0.138   6.025
  413    HD2  TYR  56           HD2      TYR  56   7.525   2.093   4.056
  414    HE1  TYR  56           HE1      TYR  56   9.349  -1.871   6.314
  415    HE2  TYR  56           HE2      TYR  56   6.120   0.093   4.351
  416    HH   TYR  56           HH       TYR  56   6.944  -2.446   6.404
  417    H    GLY  57           HN       GLY  57   9.647   5.584   5.875
  418    HA2  GLY  57           HA2      GLY  57  10.828   7.594   5.862
  419    HA3  GLY  57           HA1      GLY  57  12.323   6.704   5.596
  420    H    VAL  58           HN       VAL  58   9.217   6.665   3.931
  421    HA   VAL  58           HA       VAL  58  10.686   7.326   1.496
  422    HB   VAL  58           HB       VAL  58   9.065   6.034   0.139
  423   HG11  VAL  58          HG11      VAL  58  10.334   4.394   2.313
  424   HG12  VAL  58          HG12      VAL  58  11.116   4.955   0.843
  425   HG13  VAL  58          HG13      VAL  58   9.790   3.789   0.749
  426   HG21  VAL  58          HG21      VAL  58   7.931   5.127   2.787
  427   HG22  VAL  58          HG22      VAL  58   7.512   4.458   1.212
  428   HG23  VAL  58          HG23      VAL  58   7.108   6.131   1.593
  429    H    SER  59           HN       SER  59   8.833   8.019  -0.265
  430    HA   SER  59           HA       SER  59   6.818   9.670   0.940
  431    HB2  SER  59           HB2      SER  59   9.076  10.909  -0.681
  432    HB3  SER  59           HB1      SER  59   7.625  11.751  -0.132
  433    HG   SER  59           HG       SER  59   8.565  10.636   1.976
  434    H    ILE  60           HN       ILE  60   5.081   9.186  -0.246
  435    HA   ILE  60           HA       ILE  60   5.394   8.895  -3.141
  436    HB   ILE  60           HB       ILE  60   3.365   7.589  -1.285
  437   HG12  ILE  60          HG12      ILE  60   5.547   6.317  -2.961
  438   HG13  ILE  60          HG11      ILE  60   5.606   6.528  -1.222
  439   HG21  ILE  60          HG21      ILE  60   2.367   8.200  -3.433
  440   HG22  ILE  60          HG22      ILE  60   2.516   6.446  -3.276
  441   HG23  ILE  60          HG23      ILE  60   3.657   7.342  -4.282
  442   HD11  ILE  60          HD11      ILE  60   5.025   4.260  -1.810
  443   HD12  ILE  60          HD12      ILE  60   3.627   4.833  -2.724
  444   HD13  ILE  60          HD13      ILE  60   3.683   5.040  -0.972
  445    HA   PRO  61           HA       PRO  61   2.882  12.635  -3.037
  446    HB2  PRO  61           HB2      PRO  61   2.650  11.954  -5.926
  447    HB3  PRO  61           HB1      PRO  61   3.121  13.479  -5.165
  448    HG2  PRO  61           HG2      PRO  61   4.961  11.945  -6.317
  449    HG3  PRO  61           HG1      PRO  61   5.302  12.770  -4.788
  450    HD2  PRO  61           HD2      PRO  61   4.587   9.902  -5.256
  451    HD3  PRO  61           HD1      PRO  61   5.801  10.582  -4.158
  452    H    ASP  62           HN       ASP  62   0.731  13.014  -3.100
  453    HA   ASP  62           HA       ASP  62  -1.140  11.082  -2.516
  454    HB2  ASP  62           HB2      ASP  62  -1.848  13.664  -3.914
  455    HB3  ASP  62           HB1      ASP  62  -2.778  12.798  -2.706
  456    H    ASP  63           HN       ASP  63  -0.604  12.803  -5.531
  457    HA   ASP  63           HA       ASP  63  -2.512  11.710  -7.222
  458    HB2  ASP  63           HB2      ASP  63  -1.092  13.539  -7.939
  459    HB3  ASP  63           HB1      ASP  63   0.326  12.506  -7.856
  460    H    VAL  64           HN       VAL  64   0.711  10.556  -6.571
  461    HA   VAL  64           HA       VAL  64   0.720   8.431  -8.406
  462    HB   VAL  64           HB       VAL  64   2.419   8.856  -5.926
  463   HG11  VAL  64          HG11      VAL  64   2.876   7.032  -8.289
  464   HG12  VAL  64          HG12      VAL  64   2.506   6.527  -6.641
  465   HG13  VAL  64          HG13      VAL  64   4.028   7.350  -6.993
  466   HG21  VAL  64          HG21      VAL  64   2.910   9.540  -8.823
  467   HG22  VAL  64          HG22      VAL  64   4.089   9.697  -7.519
  468   HG23  VAL  64          HG23      VAL  64   2.632  10.680  -7.503
  469    H    ALA  65           HN       ALA  65   0.136   8.474  -4.869
  470    HA   ALA  65           HA       ALA  65  -0.169   5.773  -4.388
  471    HB1  ALA  65           HB1      ALA  65  -0.073   7.496  -2.608
  472    HB2  ALA  65           HB2      ALA  65  -1.453   6.415  -2.415
  473    HB3  ALA  65           HB3      ALA  65  -1.687   8.027  -3.077
  474    H    GLY  66           HN       GLY  66  -2.610   8.117  -5.458
  475    HA2  GLY  66           HA2      GLY  66  -4.726   6.171  -5.253
  476    HA3  GLY  66           HA1      GLY  66  -4.878   7.816  -5.845
  477    H    ARG  67           HN       ARG  67  -2.419   5.965  -7.400
  478    HA   ARG  67           HA       ARG  67  -4.213   5.672  -9.702
  479    HB2  ARG  67           HB2      ARG  67  -1.221   5.734  -9.591
  480    HB3  ARG  67           HB1      ARG  67  -2.197   5.591 -11.035
  481    HG2  ARG  67           HG2      ARG  67  -3.084   7.819 -10.662
  482    HG3  ARG  67           HG1      ARG  67  -2.146   7.938  -9.163
  483    HD2  ARG  67           HD2      ARG  67  -1.120   7.737 -11.980
  484    HD3  ARG  67           HD1      ARG  67  -0.923   9.074 -10.848
  485    HE   ARG  67           HE       ARG  67   0.149   6.812  -9.680
  486   HH11  ARG  67          HH11      ARG  67   0.897   9.081 -12.278
  487   HH12  ARG  67          HH12      ARG  67   2.493   8.549 -12.502
  488   HH21  ARG  67          HH21      ARG  67   2.436   6.137  -9.912
  489   HH22  ARG  67          HH22      ARG  67   3.413   6.934 -11.057
  490    H    VAL  68           HN       VAL  68  -2.732   3.817  -7.282
  491    HA   VAL  68           HA       VAL  68  -1.946   1.776  -9.113
  492    HB   VAL  68           HB       VAL  68  -1.265   0.394  -7.216
  493   HG11  VAL  68          HG11      VAL  68   0.312   1.887  -8.246
  494   HG12  VAL  68          HG12      VAL  68   0.606   1.857  -6.509
  495   HG13  VAL  68          HG13      VAL  68  -0.230   3.227  -7.239
  496   HG21  VAL  68          HG21      VAL  68  -1.185   1.396  -4.951
  497   HG22  VAL  68          HG22      VAL  68  -2.831   1.116  -5.515
  498   HG23  VAL  68          HG23      VAL  68  -2.158   2.745  -5.540
  499    H    ASP  69           HN       ASP  69  -2.659  -0.338  -9.219
  500    HA   ASP  69           HA       ASP  69  -5.565  -0.566  -8.825
  501    HB2  ASP  69           HB2      ASP  69  -4.702  -0.877 -11.126
  502    HB3  ASP  69           HB1      ASP  69  -3.613  -2.096 -10.538
  503    H    THR  70           HN       THR  70  -2.551  -2.242  -8.395
  504    HA   THR  70           HA       THR  70  -3.852  -4.083  -6.503
  505    HB   THR  70           HB       THR  70  -2.176  -5.768  -7.299
  506    HG1  THR  70           HG1      THR  70  -1.590  -3.629  -9.120
  507   HG21  THR  70          HG21      THR  70  -3.259  -6.191  -9.479
  508   HG22  THR  70          HG22      THR  70  -3.890  -4.536  -9.459
  509   HG23  THR  70          HG23      THR  70  -4.450  -5.698  -8.267
  510    HA   PRO  71           HA       PRO  71  -0.957  -2.780  -3.330
  511    HB2  PRO  71           HB2      PRO  71  -0.554  -5.707  -2.885
  512    HB3  PRO  71           HB1      PRO  71  -0.916  -4.432  -1.717
  513    HG2  PRO  71           HG2      PRO  71  -2.818  -6.073  -2.491
  514    HG3  PRO  71           HG1      PRO  71  -3.160  -4.332  -2.335
  515    HD2  PRO  71           HD2      PRO  71  -2.696  -5.970  -4.797
  516    HD3  PRO  71           HD1      PRO  71  -3.847  -4.651  -4.536
  517    H    ARG  72           HN       ARG  72   0.030  -5.304  -5.576
  518    HA   ARG  72           HA       ARG  72   2.786  -5.181  -5.013
  519    HB2  ARG  72           HB2      ARG  72   3.026  -6.020  -7.476
  520    HB3  ARG  72           HB1      ARG  72   2.347  -7.058  -6.233
  521    HG2  ARG  72           HG2      ARG  72   0.113  -6.602  -7.028
  522    HG3  ARG  72           HG1      ARG  72   0.747  -5.441  -8.199
  523    HD2  ARG  72           HD2      ARG  72   1.783  -8.230  -8.228
  524    HD3  ARG  72           HD1      ARG  72   0.172  -7.923  -8.878
  525    HE   ARG  72           HE       ARG  72   1.058  -6.641 -10.543
  526   HH11  ARG  72          HH11      ARG  72   3.789  -7.765  -8.454
  527   HH12  ARG  72          HH12      ARG  72   4.923  -7.482  -9.673
  528   HH21  ARG  72          HH21      ARG  72   2.721  -6.340 -12.165
  529   HH22  ARG  72          HH22      ARG  72   4.348  -6.625 -11.762
  530    H    GLU  73           HN       GLU  73   0.839  -3.045  -6.883
  531    HA   GLU  73           HA       GLU  73   3.060  -1.762  -8.157
  532    HB2  GLU  73           HB2      GLU  73   0.211  -0.919  -7.729
  533    HB3  GLU  73           HB1      GLU  73   1.370  -0.052  -8.725
  534    HG2  GLU  73           HG2      GLU  73   1.515  -1.849 -10.267
  535    HG3  GLU  73           HG1      GLU  73   0.596  -2.903  -9.186
  536    H    LEU  74           HN       LEU  74   1.047  -1.232  -5.340
  537    HA   LEU  74           HA       LEU  74   1.978   1.254  -4.401
  538    HB2  LEU  74           HB2      LEU  74   0.109  -0.438  -3.569
  539    HB3  LEU  74           HB1      LEU  74   1.459  -1.063  -2.620
  540    HG   LEU  74           HG       LEU  74   0.230   1.704  -2.393
  541   HD11  LEU  74          HD11      LEU  74  -0.496   0.950  -0.187
  542   HD12  LEU  74          HD12      LEU  74   0.119  -0.661  -0.555
  543   HD13  LEU  74          HD13      LEU  74  -1.209   0.012  -1.498
  544   HD21  LEU  74          HD21      LEU  74   2.423   0.462  -0.723
  545   HD22  LEU  74          HD22      LEU  74   1.661   2.023  -0.430
  546   HD23  LEU  74          HD23      LEU  74   2.635   1.771  -1.880
  547    H    LEU  75           HN       LEU  75   2.929  -2.057  -3.812
  548    HA   LEU  75           HA       LEU  75   5.047  -1.904  -2.085
  549    HB2  LEU  75           HB2      LEU  75   3.814  -3.876  -2.803
  550    HB3  LEU  75           HB1      LEU  75   4.482  -3.728  -4.405
  551    HG   LEU  75           HG       LEU  75   6.700  -4.100  -3.417
  552   HD11  LEU  75          HD11      LEU  75   6.782  -5.179  -1.195
  553   HD12  LEU  75          HD12      LEU  75   5.059  -4.856  -1.001
  554   HD13  LEU  75          HD13      LEU  75   6.203  -3.512  -1.113
  555   HD21  LEU  75          HD21      LEU  75   4.630  -6.245  -3.093
  556   HD22  LEU  75          HD22      LEU  75   6.373  -6.525  -3.230
  557   HD23  LEU  75          HD23      LEU  75   5.470  -5.805  -4.577
  558    H    ASP  76           HN       ASP  76   4.992  -1.684  -5.605
  559    HA   ASP  76           HA       ASP  76   7.798  -1.573  -6.022
  560    HB2  ASP  76           HB2      ASP  76   6.215  -2.262  -7.778
  561    HB3  ASP  76           HB1      ASP  76   5.527  -0.648  -7.797
  562    H    LEU  77           HN       LEU  77   5.275   0.810  -5.609
  563    HA   LEU  77           HA       LEU  77   6.721   3.163  -6.152
  564    HB2  LEU  77           HB2      LEU  77   4.480   2.739  -4.194
  565    HB3  LEU  77           HB1      LEU  77   5.051   4.296  -4.736
  566    HG   LEU  77           HG       LEU  77   3.666   2.208  -6.391
  567   HD11  LEU  77          HD11      LEU  77   1.865   3.901  -6.497
  568   HD12  LEU  77          HD12      LEU  77   2.796   4.900  -5.362
  569   HD13  LEU  77          HD13      LEU  77   2.180   3.331  -4.859
  570   HD21  LEU  77          HD21      LEU  77   3.689   3.852  -8.190
  571   HD22  LEU  77          HD22      LEU  77   5.348   3.460  -7.697
  572   HD23  LEU  77          HD23      LEU  77   4.596   4.968  -7.173
  573    H    ILE  78           HN       ILE  78   6.151   1.376  -3.177
  574    HA   ILE  78           HA       ILE  78   7.501   2.992  -1.343
  575    HB   ILE  78           HB       ILE  78   7.197  -0.030  -1.367
  576   HG12  ILE  78          HG12      ILE  78   5.059   1.184  -1.327
  577   HG13  ILE  78          HG11      ILE  78   5.340   0.319   0.182
  578   HG21  ILE  78          HG21      ILE  78   9.034   0.566   0.113
  579   HG22  ILE  78          HG22      ILE  78   7.640   0.034   1.059
  580   HG23  ILE  78          HG23      ILE  78   8.014   1.755   0.928
  581   HD11  ILE  78          HD11      ILE  78   4.389   2.508   0.599
  582   HD12  ILE  78          HD12      ILE  78   5.714   3.274  -0.278
  583   HD13  ILE  78          HD13      ILE  78   6.035   2.427   1.236
  584    H    ASN  79           HN       ASN  79   8.685   0.012  -2.866
  585    HA   ASN  79           HA       ASN  79  11.307   0.216  -2.008
  586    HB2  ASN  79           HB2      ASN  79  10.206  -1.180  -4.446
  587    HB3  ASN  79           HB1      ASN  79  11.862  -1.377  -3.891
  588   HD21  ASN  79          HD21      ASN  79   9.936  -3.429  -4.106
  589   HD22  ASN  79          HD22      ASN  79   9.636  -4.066  -2.521
  590    H    GLY  80           HN       GLY  80   9.864   1.475  -4.949
  591    HA2  GLY  80           HA2      GLY  80  12.181   2.416  -6.210
  592    HA3  GLY  80           HA1      GLY  80  10.569   3.078  -6.411
  593    H    ALA  81           HN       ALA  81  10.169   3.951  -3.739
  594    HA   ALA  81           HA       ALA  81  11.700   6.406  -3.794
  595    HB1  ALA  81           HB1      ALA  81   9.598   5.468  -1.831
  596    HB2  ALA  81           HB2      ALA  81   9.305   6.433  -3.277
  597    HB3  ALA  81           HB3      ALA  81  10.260   7.100  -1.949
  598    H    LEU  82           HN       LEU  82  11.566   3.462  -1.902
  599    HA   LEU  82           HA       LEU  82  13.013   4.264   0.327
  600    HB2  LEU  82           HB2      LEU  82  11.601   2.292   0.191
  601    HB3  LEU  82           HB1      LEU  82  12.672   1.599  -1.003
  602    HG   LEU  82           HG       LEU  82  14.429   1.503   0.627
  603   HD11  LEU  82          HD11      LEU  82  12.318   2.455   2.593
  604   HD12  LEU  82          HD12      LEU  82  13.791   3.312   2.133
  605   HD13  LEU  82          HD13      LEU  82  13.893   1.805   3.045
  606   HD21  LEU  82          HD21      LEU  82  11.873   0.163   1.468
  607   HD22  LEU  82          HD22      LEU  82  13.495  -0.364   1.926
  608   HD23  LEU  82          HD23      LEU  82  12.995  -0.408   0.238
  609    H    ALA  83           HN       ALA  83  13.975   3.062  -2.818
  610    HA   ALA  83           HA       ALA  83  16.678   2.561  -2.297
  611    HB1  ALA  83           HB1      ALA  83  15.515   1.790  -4.305
  612    HB2  ALA  83           HB2      ALA  83  16.985   2.690  -4.709
  613    HB3  ALA  83           HB3      ALA  83  15.407   3.458  -4.875
  614    H    GLU  84           HN       GLU  84  14.992   5.578  -2.534
  615    HA   GLU  84           HA       GLU  84  17.316   7.136  -3.177
  616    HB2  GLU  84           HB2      GLU  84  14.459   7.812  -2.516
  617    HB3  GLU  84           HB1      GLU  84  15.692   8.971  -2.963
  618    HG2  GLU  84           HG2      GLU  84  14.775   6.698  -4.716
  619    HG3  GLU  84           HG1      GLU  84  14.165   8.345  -4.812
  620    H    ALA  85           HN       ALA  85  16.174   5.642  -0.440
  621    HA   ALA  85           HA       ALA  85  17.164   7.793   1.289
  622    HB1  ALA  85           HB1      ALA  85  14.719   7.617   1.426
  623    HB2  ALA  85           HB2      ALA  85  15.515   7.226   2.955
  624    HB3  ALA  85           HB3      ALA  85  14.879   5.934   1.932
  625    H    ALA  86           HN       ALA  86  16.395   4.282   1.342
  626    HA   ALA  86           HA       ALA  86  18.891   3.882   2.780
  627    HB1  ALA  86           HB1      ALA  86  17.790   2.271   4.258
  628    HB2  ALA  86           HB2      ALA  86  16.236   2.626   3.502
  629    HB3  ALA  86           HB3      ALA  86  17.074   3.873   4.428
  630   H28A  SDO 101          H28A      SDO  42 -10.093  11.976  -1.807
  631   H28B  SDO 101          H28B      SDO  42  -9.007  10.595  -1.698
  632   H30A  SDO 101          H30A      SDO  42  -7.158  12.150  -1.369
  633   H30B  SDO 101          H30B      SDO  42  -8.266  13.520  -1.526
  634   H30C  SDO 101          H30C      SDO  42  -6.814  13.430  -2.533
  635   H31A  SDO 101          H31A      SDO  42  -8.026  10.553  -4.549
  636   H31B  SDO 101          H31B      SDO  42  -6.985  10.469  -3.139
  637   H31C  SDO 101          H31C      SDO  42  -6.700  11.698  -4.374
  638   H32A  SDO 101          H32A      SDO  42  -9.550  12.583  -4.907
  639   H33A  SDO 101          H33A      SDO  42  -8.026  14.755  -4.582
  640   H36A  SDO 101          H36A      SDO  42 -11.215  12.881  -2.972
  641   H37A  SDO 101          H37A      SDO  42 -11.507  15.737  -2.199
  642   H37B  SDO 101          H37B      SDO  42 -12.805  14.831  -2.940
  643   H38A  SDO 101          H38A      SDO  42 -13.279  14.876  -0.673
  644   H38B  SDO 101          H38B      SDO  42 -12.727  13.216  -1.016
  645   H41A  SDO 101          H41A      SDO  42 -10.129  15.301  -1.014
  646   H42A  SDO 101          H42A      SDO  42  -9.620  15.739   1.746
  647   H42B  SDO 101          H42B      SDO  42  -8.809  14.299   1.163
  648   H43A  SDO 101          H43A      SDO  42  -8.474  17.084   0.110
  649   H43B  SDO 101          H43B      SDO  42  -7.871  15.653  -0.670
  650    H1A  SDO 101           H1A      SDO  42  -5.568  14.561   2.652
  651    H1B  SDO 101           H1B      SDO  42  -6.168  15.967   3.507
  652    H2A  SDO 101           H2A      SDO  42  -7.836  13.760   2.410
  653    H2B  SDO 101           H2B      SDO  42  -8.436  15.123   3.305
  654    H4A  SDO 101           H4A      SDO  42  -6.069  12.448   5.649
  655    H4B  SDO 101           H4B      SDO  42  -6.614  13.870   6.505
  656    H5A  SDO 101           H5A      SDO  42  -5.161  15.305   5.339
  657    H5B  SDO 101           H5B      SDO  42  -4.701  14.039   4.204
  658    H6A  SDO 101           H6A      SDO  42  -2.896  14.177   5.699
  659    H6B  SDO 101           H6B      SDO  42  -3.786  12.758   6.186
  660    H8A  SDO 101           H8A      SDO  42  -5.947  14.716   7.810
  661    H8B  SDO 101           H8B      SDO  42  -4.962  16.170   7.615
  662    H8C  SDO 101           H8C      SDO  42  -4.976  15.302   9.164
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  19.831  -0.522  -1.106
    2    H2   MET   1           HT2      MET   1  20.287  -0.996   0.453
    3    H3   MET   1           HT3      MET   1  19.294   0.361   0.217
    4    HA   MET   1           HA       MET   1  17.512  -0.909  -0.594
    5    HB2  MET   1           HB2      MET   1  19.302  -3.284  -0.042
    6    HB3  MET   1           HB1      MET   1  17.588  -3.389  -0.414
    7    HG2  MET   1           HG2      MET   1  18.010  -2.426  -2.615
    8    HG3  MET   1           HG1      MET   1  19.728  -2.317  -2.237
    9    HE1  MET   1           HE1      MET   1  17.418  -6.302  -2.671
   10    HE2  MET   1           HE2      MET   1  16.698  -4.717  -2.958
   11    HE3  MET   1           HE3      MET   1  17.170  -5.184  -1.324
   12    H    ALA   2           HN       ALA   2  19.672  -1.995   2.015
   13    HA   ALA   2           HA       ALA   2  19.510  -2.215   4.180
   14    HB1  ALA   2           HB1      ALA   2  17.953  -0.882   5.501
   15    HB2  ALA   2           HB2      ALA   2  17.005  -0.525   4.058
   16    HB3  ALA   2           HB3      ALA   2  18.649   0.096   4.205
   17    H    THR   3           HN       THR   3  16.081  -2.252   3.430
   18    HA   THR   3           HA       THR   3  15.903  -5.065   3.786
   19    HB   THR   3           HB       THR   3  15.945  -4.447   6.129
   20    HG1  THR   3           HG1      THR   3  13.332  -5.235   5.307
   21   HG21  THR   3          HG21      THR   3  15.317  -2.110   6.056
   22   HG22  THR   3          HG22      THR   3  14.265  -2.951   7.197
   23   HG23  THR   3          HG23      THR   3  13.667  -2.527   5.592
   24    H    LEU   4           HN       LEU   4  15.027  -5.130   1.796
   25    HA   LEU   4           HA       LEU   4  13.228  -3.161   0.876
   26    HB2  LEU   4           HB2      LEU   4  14.797  -4.478  -0.566
   27    HB3  LEU   4           HB1      LEU   4  13.736  -5.860  -0.365
   28    HG   LEU   4           HG       LEU   4  11.907  -4.549  -1.413
   29   HD11  LEU   4          HD11      LEU   4  12.704  -2.316  -0.893
   30   HD12  LEU   4          HD12      LEU   4  12.469  -2.497  -2.630
   31   HD13  LEU   4          HD13      LEU   4  14.098  -2.542  -1.948
   32   HD21  LEU   4          HD21      LEU   4  13.204  -6.101  -2.765
   33   HD22  LEU   4          HD22      LEU   4  14.427  -4.863  -3.044
   34   HD23  LEU   4          HD23      LEU   4  12.809  -4.663  -3.709
   35    H    LEU   5           HN       LEU   5  11.266  -2.951   1.274
   36    HA   LEU   5           HA       LEU   5   9.630  -4.593   2.848
   37    HB2  LEU   5           HB2      LEU   5   9.655  -2.033   2.233
   38    HB3  LEU   5           HB1      LEU   5   8.646  -2.524   0.901
   39    HG   LEU   5           HG       LEU   5   7.369  -1.575   2.756
   40   HD11  LEU   5          HD11      LEU   5   6.234  -3.179   1.375
   41   HD12  LEU   5          HD12      LEU   5   5.706  -3.316   3.053
   42   HD13  LEU   5          HD13      LEU   5   6.831  -4.497   2.381
   43   HD21  LEU   5          HD21      LEU   5   8.814  -2.184   4.573
   44   HD22  LEU   5          HD22      LEU   5   8.441  -3.889   4.335
   45   HD23  LEU   5          HD23      LEU   5   7.182  -2.773   4.876
   46    H    THR   6           HN       THR   6   8.716  -6.556   2.179
   47    HA   THR   6           HA       THR   6   7.920  -6.699  -0.601
   48    HB   THR   6           HB       THR   6   8.188  -9.200  -0.457
   49    HG1  THR   6           HG1      THR   6   8.953  -8.546   2.130
   50   HG21  THR   6          HG21      THR   6  10.627  -9.181  -0.729
   51   HG22  THR   6          HG22      THR   6  10.697  -7.569  -0.023
   52   HG23  THR   6          HG23      THR   6   9.877  -7.823  -1.567
   53    H    THR   7           HN       THR   7   6.398  -9.024  -0.558
   54    HA   THR   7           HA       THR   7   3.895  -8.097  -0.157
   55    HB   THR   7           HB       THR   7   4.675 -10.997   0.040
   56    HG1  THR   7           HG1      THR   7   5.396 -10.896  -2.010
   57   HG21  THR   7          HG21      THR   7   2.500  -9.502  -1.443
   58   HG22  THR   7          HG22      THR   7   2.280 -10.375   0.068
   59   HG23  THR   7          HG23      THR   7   2.702 -11.255  -1.405
   60    H    ASP   8           HN       ASP   8   5.606 -10.436   2.002
   61    HA   ASP   8           HA       ASP   8   3.670 -10.691   4.025
   62    HB2  ASP   8           HB2      ASP   8   6.692 -10.808   4.278
   63    HB3  ASP   8           HB1      ASP   8   5.613 -11.141   5.617
   64    H    ASP   9           HN       ASP   9   6.365  -8.460   3.806
   65    HA   ASP   9           HA       ASP   9   6.076  -7.089   6.232
   66    HB2  ASP   9           HB2      ASP   9   7.035  -5.882   3.631
   67    HB3  ASP   9           HB1      ASP   9   7.436  -5.359   5.255
   68    H    LEU  10           HN       LEU  10   4.879  -6.408   2.992
   69    HA   LEU  10           HA       LEU  10   3.539  -3.999   3.482
   70    HB2  LEU  10           HB2      LEU  10   4.052  -4.816   1.229
   71    HB3  LEU  10           HB1      LEU  10   2.901  -6.123   1.440
   72    HG   LEU  10           HG       LEU  10   1.109  -4.381   1.686
   73   HD11  LEU  10          HD11      LEU  10   1.554  -2.137   0.821
   74   HD12  LEU  10          HD12      LEU  10   3.270  -2.532   0.714
   75   HD13  LEU  10          HD13      LEU  10   2.468  -2.488   2.286
   76   HD21  LEU  10          HD21      LEU  10   0.947  -3.933  -0.726
   77   HD22  LEU  10          HD22      LEU  10   1.387  -5.605  -0.391
   78   HD23  LEU  10          HD23      LEU  10   2.618  -4.463  -0.931
   79    H    ARG  11           HN       ARG  11   2.415  -7.341   3.569
   80    HA   ARG  11           HA       ARG  11  -0.299  -6.820   3.852
   81    HB2  ARG  11           HB2      ARG  11   0.586  -9.054   3.285
   82    HB3  ARG  11           HB1      ARG  11   1.198  -9.222   4.922
   83    HG2  ARG  11           HG2      ARG  11  -0.940  -9.436   5.829
   84    HG3  ARG  11           HG1      ARG  11  -1.715  -8.745   4.407
   85    HD2  ARG  11           HD2      ARG  11  -2.140 -11.098   4.409
   86    HD3  ARG  11           HD1      ARG  11  -1.012 -10.736   3.119
   87    HE   ARG  11           HE       ARG  11  -0.097 -11.770   5.698
   88   HH11  ARG  11          HH11      ARG  11  -0.298 -12.085   2.161
   89   HH12  ARG  11          HH12      ARG  11   0.602 -13.522   2.072
   90   HH21  ARG  11          HH21      ARG  11   1.076 -13.850   5.576
   91   HH22  ARG  11          HH22      ARG  11   1.339 -14.544   4.027
   92    H    ARG  12           HN       ARG  12   2.183  -6.945   6.282
   93    HA   ARG  12           HA       ARG  12   0.566  -6.954   8.580
   94    HB2  ARG  12           HB2      ARG  12   3.239  -5.597   8.187
   95    HB3  ARG  12           HB1      ARG  12   2.488  -5.943   9.739
   96    HG2  ARG  12           HG2      ARG  12   2.654  -8.318   9.326
   97    HG3  ARG  12           HG1      ARG  12   3.311  -8.008   7.719
   98    HD2  ARG  12           HD2      ARG  12   5.233  -6.883   8.733
   99    HD3  ARG  12           HD1      ARG  12   4.573  -7.209  10.335
  100    HE   ARG  12           HE       ARG  12   4.660  -9.633   9.135
  101   HH11  ARG  12          HH11      ARG  12   7.141  -7.136   9.813
  102   HH12  ARG  12          HH12      ARG  12   8.411  -8.259   9.973
  103   HH21  ARG  12          HH21      ARG  12   6.451 -11.151   9.363
  104   HH22  ARG  12          HH22      ARG  12   8.019 -10.565   9.711
  105    H    ALA  13           HN       ALA  13   1.860  -4.239   6.709
  106    HA   ALA  13           HA       ALA  13   0.600  -2.253   8.357
  107    HB1  ALA  13           HB1      ALA  13   2.709  -1.768   7.194
  108    HB2  ALA  13           HB2      ALA  13   1.430  -0.645   6.714
  109    HB3  ALA  13           HB3      ALA  13   1.886  -1.964   5.644
  110    H    LEU  14           HN       LEU  14  -0.081  -3.836   5.305
  111    HA   LEU  14           HA       LEU  14  -2.224  -2.165   4.611
  112    HB2  LEU  14           HB2      LEU  14  -0.883  -3.600   3.029
  113    HB3  LEU  14           HB1      LEU  14  -1.710  -4.992   3.668
  114    HG   LEU  14           HG       LEU  14  -3.837  -4.196   2.778
  115   HD11  LEU  14          HD11      LEU  14  -3.929  -2.192   1.371
  116   HD12  LEU  14          HD12      LEU  14  -2.241  -1.852   1.743
  117   HD13  LEU  14          HD13      LEU  14  -3.454  -1.787   3.023
  118   HD21  LEU  14          HD21      LEU  14  -2.390  -5.531   1.320
  119   HD22  LEU  14          HD22      LEU  14  -1.623  -4.055   0.732
  120   HD23  LEU  14          HD23      LEU  14  -3.329  -4.358   0.396
  121    H    VAL  15           HN       VAL  15  -1.982  -4.805   6.815
  122    HA   VAL  15           HA       VAL  15  -4.844  -5.088   7.046
  123    HB   VAL  15           HB       VAL  15  -2.601  -6.039   8.891
  124   HG11  VAL  15          HG11      VAL  15  -4.310  -7.349  10.073
  125   HG12  VAL  15          HG12      VAL  15  -5.569  -6.605   9.088
  126   HG13  VAL  15          HG13      VAL  15  -4.634  -5.622  10.216
  127   HG21  VAL  15          HG21      VAL  15  -3.218  -8.256   8.084
  128   HG22  VAL  15          HG22      VAL  15  -2.763  -7.202   6.745
  129   HG23  VAL  15          HG23      VAL  15  -4.465  -7.539   7.061
  130    H    GLU  16           HN       GLU  16  -2.280  -3.382   8.819
  131    HA   GLU  16           HA       GLU  16  -3.752  -2.301  10.924
  132    HB2  GLU  16           HB2      GLU  16  -1.514  -0.964   9.434
  133    HB3  GLU  16           HB1      GLU  16  -2.089  -0.534  11.033
  134    HG2  GLU  16           HG2      GLU  16  -1.410  -2.819  11.779
  135    HG3  GLU  16           HG1      GLU  16  -0.684  -3.036  10.191
  136    H    SER  17           HN       SER  17  -3.426  -1.201   7.623
  137    HA   SER  17           HA       SER  17  -4.540   1.368   8.002
  138    HB2  SER  17           HB2      SER  17  -3.035   0.803   6.132
  139    HB3  SER  17           HB1      SER  17  -4.270  -0.257   5.465
  140    HG   SER  17           HG       SER  17  -5.593   1.791   5.585
  141    H    ALA  18           HN       ALA  18  -6.012  -1.740   7.765
  142    HA   ALA  18           HA       ALA  18  -8.499  -0.656   6.810
  143    HB1  ALA  18           HB1      ALA  18  -9.375  -2.889   7.014
  144    HB2  ALA  18           HB2      ALA  18  -7.882  -3.430   7.800
  145    HB3  ALA  18           HB3      ALA  18  -7.859  -2.908   6.105
  146    H    GLY  19           HN       GLY  19  -8.814   0.791   8.330
  147    HA2  GLY  19           HA2      GLY  19  -9.493  -0.146  11.042
  148    HA3  GLY  19           HA1      GLY  19  -9.204   1.535  10.587
  149    H    GLU  20           HN       GLU  20 -10.776   2.309   8.808
  150    HA   GLU  20           HA       GLU  20 -13.421   1.405   9.562
  151    HB2  GLU  20           HB2      GLU  20 -14.113   3.847   9.105
  152    HB3  GLU  20           HB1      GLU  20 -13.277   3.500  10.608
  153    HG2  GLU  20           HG2      GLU  20 -11.179   4.297   9.601
  154    HG3  GLU  20           HG1      GLU  20 -12.063   4.701   8.131
  155    H    THR  21           HN       THR  21 -13.772   0.101   8.001
  156    HA   THR  21           HA       THR  21 -14.742   0.761   5.590
  157    HB   THR  21           HB       THR  21 -12.405   1.521   5.047
  158    HG1  THR  21           HG1      THR  21 -12.204  -0.003   3.118
  159   HG21  THR  21          HG21      THR  21 -11.664  -1.401   5.403
  160   HG22  THR  21          HG22      THR  21 -11.079  -0.052   6.376
  161   HG23  THR  21          HG23      THR  21 -10.613  -0.184   4.684
  162    H    ASP  22           HN       ASP  22 -13.804  -1.639   4.200
  163    HA   ASP  22           HA       ASP  22 -14.978  -3.669   5.940
  164    HB2  ASP  22           HB2      ASP  22 -15.633  -3.597   3.574
  165    HB3  ASP  22           HB1      ASP  22 -13.969  -3.920   3.089
  166    H    GLY  23           HN       GLY  23 -13.688  -4.591   7.334
  167    HA2  GLY  23           HA2      GLY  23 -10.874  -4.567   6.883
  168    HA3  GLY  23           HA1      GLY  23 -11.663  -5.217   8.341
  169    H    THR  24           HN       THR  24 -10.353  -5.870   5.247
  170    HA   THR  24           HA       THR  24 -11.501  -8.420   4.873
  171    HB   THR  24           HB       THR  24  -9.601  -8.482   3.092
  172    HG1  THR  24           HG1      THR  24  -9.592  -5.757   2.982
  173   HG21  THR  24          HG21      THR  24 -11.978  -8.163   2.572
  174   HG22  THR  24          HG22      THR  24 -10.974  -7.092   1.587
  175   HG23  THR  24          HG23      THR  24 -11.837  -6.455   2.989
  176    H    ASP  25           HN       ASP  25  -9.744 -10.115   4.090
  177    HA   ASP  25           HA       ASP  25  -7.589 -10.386   6.030
  178    HB2  ASP  25           HB2      ASP  25  -9.419 -11.860   6.800
  179    HB3  ASP  25           HB1      ASP  25  -9.497 -12.607   5.205
  180    H    LEU  26           HN       LEU  26  -5.790 -10.580   4.965
  181    HA   LEU  26           HA       LEU  26  -5.920 -10.813   2.063
  182    HB2  LEU  26           HB2      LEU  26  -3.918  -9.712   4.006
  183    HB3  LEU  26           HB1      LEU  26  -3.535  -9.948   2.322
  184    HG   LEU  26           HG       LEU  26  -5.214  -8.272   1.680
  185   HD11  LEU  26          HD11      LEU  26  -6.837  -8.557   3.495
  186   HD12  LEU  26          HD12      LEU  26  -6.334  -6.880   3.312
  187   HD13  LEU  26          HD13      LEU  26  -5.687  -7.856   4.637
  188   HD21  LEU  26          HD21      LEU  26  -4.097  -6.326   2.620
  189   HD22  LEU  26          HD22      LEU  26  -2.969  -7.577   2.103
  190   HD23  LEU  26          HD23      LEU  26  -3.322  -7.364   3.817
  191    H    SER  27           HN       SER  27  -6.119 -13.260   3.455
  192    HA   SER  27           HA       SER  27  -3.445 -14.395   3.421
  193    HB2  SER  27           HB2      SER  27  -6.077 -15.787   4.012
  194    HB3  SER  27           HB1      SER  27  -4.462 -16.417   4.335
  195    HG   SER  27           HG       SER  27  -5.991 -14.573   5.643
  196    H    GLY  28           HN       GLY  28  -2.620 -15.310   1.712
  197    HA2  GLY  28           HA2      GLY  28  -2.836 -16.871  -0.134
  198    HA3  GLY  28           HA1      GLY  28  -4.422 -16.156  -0.454
  199    H    ASP  29           HN       ASP  29  -4.147 -15.176  -2.396
  200    HA   ASP  29           HA       ASP  29  -1.824 -13.408  -2.567
  201    HB2  ASP  29           HB2      ASP  29  -2.039 -14.966  -4.500
  202    HB3  ASP  29           HB1      ASP  29  -3.591 -14.223  -4.889
  203    H    PHE  30           HN       PHE  30  -2.178 -11.542  -1.967
  204    HA   PHE  30           HA       PHE  30  -4.719 -10.211  -2.653
  205    HB2  PHE  30           HB2      PHE  30  -4.364  -8.764  -0.737
  206    HB3  PHE  30           HB1      PHE  30  -4.232 -10.434  -0.193
  207    HD1  PHE  30           HD2      PHE  30  -1.970 -11.376   0.333
  208    HD2  PHE  30           HD1      PHE  30  -2.545  -7.262  -0.602
  209    HE1  PHE  30           HE2      PHE  30   0.240 -10.853   1.243
  210    HE2  PHE  30           HE1      PHE  30  -0.339  -6.733   0.314
  211    HZ   PHE  30           HZ       PHE  30   1.062  -8.532   1.240
  212    H    LEU  31           HN       LEU  31  -1.637 -10.571  -3.602
  213    HA   LEU  31           HA       LEU  31  -0.769  -7.827  -3.641
  214    HB2  LEU  31           HB2      LEU  31   0.737  -9.793  -3.232
  215    HB3  LEU  31           HB1      LEU  31   0.531 -10.229  -4.914
  216    HG   LEU  31           HG       LEU  31   1.540  -8.027  -5.542
  217   HD11  LEU  31          HD11      LEU  31   2.770  -6.787  -3.834
  218   HD12  LEU  31          HD12      LEU  31   2.126  -7.856  -2.589
  219   HD13  LEU  31          HD13      LEU  31   1.033  -6.809  -3.500
  220   HD21  LEU  31          HD21      LEU  31   2.886 -10.071  -5.505
  221   HD22  LEU  31          HD22      LEU  31   3.251  -9.807  -3.798
  222   HD23  LEU  31          HD23      LEU  31   3.838  -8.668  -5.010
  223    H    ASP  32           HN       ASP  32  -2.062 -10.215  -5.912
  224    HA   ASP  32           HA       ASP  32  -1.808  -8.272  -8.091
  225    HB2  ASP  32           HB2      ASP  32  -1.094 -10.738  -8.276
  226    HB3  ASP  32           HB1      ASP  32  -2.819 -11.104  -8.276
  227    H    LEU  33           HN       LEU  33  -3.780  -8.957  -5.703
  228    HA   LEU  33           HA       LEU  33  -6.354  -8.935  -6.987
  229    HB2  LEU  33           HB2      LEU  33  -5.798 -10.038  -4.772
  230    HB3  LEU  33           HB1      LEU  33  -5.605  -8.449  -4.085
  231    HG   LEU  33           HG       LEU  33  -8.003  -8.011  -4.393
  232   HD11  LEU  33          HD11      LEU  33  -9.495  -9.792  -5.160
  233   HD12  LEU  33          HD12      LEU  33  -8.107 -10.826  -5.480
  234   HD13  LEU  33          HD13      LEU  33  -8.341  -9.356  -6.423
  235   HD21  LEU  33          HD21      LEU  33  -7.224  -9.073  -2.315
  236   HD22  LEU  33          HD22      LEU  33  -7.407 -10.656  -3.041
  237   HD23  LEU  33          HD23      LEU  33  -8.826  -9.653  -2.754
  238    H    ARG  34           HN       ARG  34  -7.872  -6.973  -6.135
  239    HA   ARG  34           HA       ARG  34  -6.284  -4.588  -6.826
  240    HB2  ARG  34           HB2      ARG  34  -9.233  -5.027  -7.315
  241    HB3  ARG  34           HB1      ARG  34  -8.282  -3.644  -7.845
  242    HG2  ARG  34           HG2      ARG  34  -6.924  -5.152  -9.247
  243    HG3  ARG  34           HG1      ARG  34  -7.967  -6.494  -8.765
  244    HD2  ARG  34           HD2      ARG  34  -8.693  -5.695 -10.901
  245    HD3  ARG  34           HD1      ARG  34  -9.898  -5.235  -9.700
  246    HE   ARG  34           HE       ARG  34  -7.840  -3.286 -10.319
  247   HH11  ARG  34          HH11      ARG  34 -11.194  -4.304 -10.769
  248   HH12  ARG  34          HH12      ARG  34 -11.696  -2.848 -11.470
  249   HH21  ARG  34          HH21      ARG  34  -8.499  -1.309 -11.291
  250   HH22  ARG  34          HH22      ARG  34 -10.124  -1.110 -11.838
  251    H    PHE  35           HN       PHE  35  -6.635  -2.639  -5.747
  252    HA   PHE  35           HA       PHE  35  -7.137  -2.828  -3.024
  253    HB2  PHE  35           HB2      PHE  35  -6.965  -0.429  -4.811
  254    HB3  PHE  35           HB1      PHE  35  -7.411  -0.251  -3.121
  255    HD1  PHE  35           HD2      PHE  35  -5.816  -1.254  -1.384
  256    HD2  PHE  35           HD1      PHE  35  -4.714  -0.487  -5.419
  257    HE1  PHE  35           HE2      PHE  35  -3.454  -1.239  -0.725
  258    HE2  PHE  35           HE1      PHE  35  -2.346  -0.464  -4.766
  259    HZ   PHE  35           HZ       PHE  35  -1.712  -0.841  -2.416
  260    H    GLU  36           HN       GLU  36  -9.439  -2.031  -5.549
  261    HA   GLU  36           HA       GLU  36 -11.433  -1.078  -3.822
  262    HB2  GLU  36           HB2      GLU  36 -13.047  -1.537  -5.626
  263    HB3  GLU  36           HB1      GLU  36 -11.621  -0.708  -6.219
  264    HG2  GLU  36           HG2      GLU  36 -10.793  -2.680  -7.245
  265    HG3  GLU  36           HG1      GLU  36 -11.984  -3.682  -6.422
  266    H    ASP  37           HN       ASP  37 -10.471  -4.338  -4.620
  267    HA   ASP  37           HA       ASP  37 -12.920  -5.505  -3.622
  268    HB2  ASP  37           HB2      ASP  37 -11.604  -6.500  -5.527
  269    HB3  ASP  37           HB1      ASP  37 -10.364  -6.926  -4.364
  270    H    ILE  38           HN       ILE  38  -9.811  -4.706  -2.382
  271    HA   ILE  38           HA       ILE  38 -10.295  -6.361  -0.046
  272    HB   ILE  38           HB       ILE  38  -8.074  -5.545   0.809
  273   HG12  ILE  38          HG12      ILE  38  -7.814  -4.419  -1.992
  274   HG13  ILE  38          HG11      ILE  38  -7.924  -3.474  -0.515
  275   HG21  ILE  38          HG21      ILE  38  -8.094  -7.005  -1.820
  276   HG22  ILE  38          HG22      ILE  38  -8.300  -7.698  -0.201
  277   HG23  ILE  38          HG23      ILE  38  -6.759  -6.971  -0.656
  278   HD11  ILE  38          HD11      ILE  38  -5.686  -5.351  -1.262
  279   HD12  ILE  38          HD12      ILE  38  -5.787  -4.425   0.237
  280   HD13  ILE  38          HD13      ILE  38  -5.637  -3.589  -1.310
  281    H    GLY  39           HN       GLY  39 -11.646  -3.752  -0.867
  282    HA2  GLY  39           HA2      GLY  39 -12.894  -2.311   0.384
  283    HA3  GLY  39           HA1      GLY  39 -12.133  -2.962   1.827
  284    H    TYR  40           HN       TYR  40 -10.287  -1.561  -0.855
  285    HA   TYR  40           HA       TYR  40  -9.741   0.513   1.037
  286    HB2  TYR  40           HB2      TYR  40  -7.786  -0.510  -1.067
  287    HB3  TYR  40           HB1      TYR  40  -7.675   1.070  -0.356
  288    HD1  TYR  40           HD2      TYR  40  -8.044  -2.472   0.754
  289    HD2  TYR  40           HD1      TYR  40  -6.717   1.451   1.598
  290    HE1  TYR  40           HE2      TYR  40  -7.134  -3.253   2.895
  291    HE2  TYR  40           HE1      TYR  40  -5.822   0.723   3.719
  292    HH   TYR  40           HH       TYR  40  -5.466  -2.514   4.611
  293    H    ASP  41           HN       ASP  41 -10.491   2.190   1.009
  294    HA   ASP  41           HA       ASP  41 -11.921   3.307  -1.242
  295    HB2  ASP  41           HB2      ASP  41 -12.718   3.294   1.218
  296    HB3  ASP  41           HB1      ASP  41 -11.401   4.435   1.489
  297    H    SER  42           HN       SER  42 -11.538   5.882  -1.123
  298    HA   SER  42           HA       SER  42  -8.987   6.284  -2.316
  299    HB2  SER  42           HB2      SER  42 -11.127   7.477  -2.965
  300    HB3  SER  42           HB1      SER  42 -11.011   8.375  -1.448
  301    H    LEU  43           HN       LEU  43 -10.540   7.165   0.733
  302    HA   LEU  43           HA       LEU  43  -8.311   8.523   1.824
  303    HB2  LEU  43           HB2      LEU  43 -10.752   7.302   3.073
  304    HB3  LEU  43           HB1      LEU  43  -9.476   8.006   4.044
  305    HG   LEU  43           HG       LEU  43 -11.051   9.513   1.954
  306   HD11  LEU  43          HD11      LEU  43 -11.226   9.550   4.975
  307   HD12  LEU  43          HD12      LEU  43 -12.430   8.862   3.890
  308   HD13  LEU  43          HD13      LEU  43 -12.116  10.599   3.871
  309   HD21  LEU  43          HD21      LEU  43  -9.037  10.344   4.026
  310   HD22  LEU  43          HD22      LEU  43  -9.963  11.462   3.010
  311   HD23  LEU  43          HD23      LEU  43  -8.796  10.356   2.278
  312    H    ALA  44           HN       ALA  44  -9.478   5.220   2.110
  313    HA   ALA  44           HA       ALA  44  -7.631   4.360   4.000
  314    HB1  ALA  44           HB1      ALA  44  -8.991   2.698   1.892
  315    HB2  ALA  44           HB2      ALA  44  -9.671   3.132   3.464
  316    HB3  ALA  44           HB3      ALA  44  -8.240   2.107   3.372
  317    H    LEU  45           HN       LEU  45  -7.316   4.611   0.501
  318    HA   LEU  45           HA       LEU  45  -4.924   3.161   0.185
  319    HB2  LEU  45           HB2      LEU  45  -6.432   4.157  -1.635
  320    HB3  LEU  45           HB1      LEU  45  -5.711   5.706  -1.287
  321    HG   LEU  45           HG       LEU  45  -4.694   4.961  -3.274
  322   HD11  LEU  45          HD11      LEU  45  -2.820   4.215  -1.128
  323   HD12  LEU  45          HD12      LEU  45  -3.054   5.840  -1.791
  324   HD13  LEU  45          HD13      LEU  45  -2.364   4.541  -2.802
  325   HD21  LEU  45          HD21      LEU  45  -5.350   2.636  -3.260
  326   HD22  LEU  45          HD22      LEU  45  -4.097   2.304  -2.026
  327   HD23  LEU  45          HD23      LEU  45  -3.645   2.908  -3.628
  328    H    MET  46           HN       MET  46  -5.545   6.553   0.973
  329    HA   MET  46           HA       MET  46  -2.847   7.493   1.048
  330    HB2  MET  46           HB2      MET  46  -5.052   8.612   2.753
  331    HB3  MET  46           HB1      MET  46  -3.702   9.474   2.008
  332    HG2  MET  46           HG2      MET  46  -4.718   8.871  -0.177
  333    HG3  MET  46           HG1      MET  46  -6.059   8.260   0.792
  334    HE1  MET  46           HE1      MET  46  -4.006  11.482  -0.183
  335    HE2  MET  46           HE2      MET  46  -3.880  11.454   1.580
  336    HE3  MET  46           HE3      MET  46  -4.806  12.725   0.781
  337    H    GLU  47           HN       GLU  47  -5.103   6.418   3.413
  338    HA   GLU  47           HA       GLU  47  -3.792   6.540   5.790
  339    HB2  GLU  47           HB2      GLU  47  -5.757   5.018   4.394
  340    HB3  GLU  47           HB1      GLU  47  -5.266   4.242   5.947
  341    HG2  GLU  47           HG2      GLU  47  -6.335   7.028   5.464
  342    HG3  GLU  47           HG1      GLU  47  -7.350   5.716   6.027
  343    H    THR  48           HN       THR  48  -3.708   3.832   3.445
  344    HA   THR  48           HA       THR  48  -1.819   2.208   4.710
  345    HB   THR  48           HB       THR  48  -2.347   2.592   1.752
  346    HG1  THR  48           HG1      THR  48  -3.946   1.698   3.681
  347   HG21  THR  48          HG21      THR  48  -0.310   1.302   2.192
  348   HG22  THR  48          HG22      THR  48  -1.579   0.290   1.504
  349   HG23  THR  48          HG23      THR  48  -1.217   0.200   3.233
  350    H    ALA  49           HN       ALA  49  -1.399   4.447   1.981
  351    HA   ALA  49           HA       ALA  49   1.342   4.213   1.657
  352    HB1  ALA  49           HB1      ALA  49   1.233   6.251   0.348
  353    HB2  ALA  49           HB2      ALA  49  -0.346   6.633   1.031
  354    HB3  ALA  49           HB3      ALA  49  -0.151   5.218  -0.003
  355    H    ALA  50           HN       ALA  50  -0.427   6.586   3.615
  356    HA   ALA  50           HA       ALA  50   1.791   8.143   4.323
  357    HB1  ALA  50           HB1      ALA  50   0.386   9.076   6.063
  358    HB2  ALA  50           HB2      ALA  50  -0.750   7.740   5.884
  359    HB3  ALA  50           HB3      ALA  50  -0.537   8.898   4.570
  360    H    ARG  51           HN       ARG  51   0.344   5.295   5.860
  361    HA   ARG  51           HA       ARG  51   1.907   5.356   8.181
  362    HB2  ARG  51           HB2      ARG  51  -0.052   3.832   7.998
  363    HB3  ARG  51           HB1      ARG  51   0.778   2.915   6.755
  364    HG2  ARG  51           HG2      ARG  51   1.337   1.548   8.424
  365    HG3  ARG  51           HG1      ARG  51   2.583   2.746   8.759
  366    HD2  ARG  51           HD2      ARG  51   1.554   2.224  10.779
  367    HD3  ARG  51           HD1      ARG  51   0.924   3.817  10.414
  368    HE   ARG  51           HE       ARG  51  -0.424   1.256  10.354
  369   HH11  ARG  51          HH11      ARG  51  -0.679   4.790   9.988
  370   HH12  ARG  51          HH12      ARG  51  -2.385   4.831   9.943
  371   HH21  ARG  51          HH21      ARG  51  -2.833   1.346  10.383
  372   HH22  ARG  51          HH22      ARG  51  -3.646   2.819  10.225
  373    H    LEU  52           HN       LEU  52   2.380   3.813   5.081
  374    HA   LEU  52           HA       LEU  52   4.817   2.538   5.674
  375    HB2  LEU  52           HB2      LEU  52   3.717   3.463   3.023
  376    HB3  LEU  52           HB1      LEU  52   5.073   2.367   3.228
  377    HG   LEU  52           HG       LEU  52   2.255   1.781   4.136
  378   HD11  LEU  52          HD11      LEU  52   2.401   1.861   1.717
  379   HD12  LEU  52          HD12      LEU  52   2.208   0.198   2.277
  380   HD13  LEU  52          HD13      LEU  52   3.789   0.778   1.750
  381   HD21  LEU  52          HD21      LEU  52   3.093  -0.496   4.441
  382   HD22  LEU  52          HD22      LEU  52   3.955   0.650   5.466
  383   HD23  LEU  52          HD23      LEU  52   4.710   0.041   3.992
  384    H    GLU  53           HN       GLU  53   4.064   5.707   4.310
  385    HA   GLU  53           HA       GLU  53   6.713   6.453   3.769
  386    HB2  GLU  53           HB2      GLU  53   4.322   8.186   4.355
  387    HB3  GLU  53           HB1      GLU  53   5.863   8.791   3.776
  388    HG2  GLU  53           HG2      GLU  53   5.595   7.425   1.736
  389    HG3  GLU  53           HG1      GLU  53   4.010   6.918   2.318
  390    H    SER  54           HN       SER  54   4.749   6.866   6.714
  391    HA   SER  54           HA       SER  54   6.750   8.409   8.032
  392    HB2  SER  54           HB2      SER  54   4.474   6.809   9.229
  393    HB3  SER  54           HB1      SER  54   5.353   8.129  10.002
  394    HG   SER  54           HG       SER  54   4.522   9.205   7.832
  395    H    ARG  55           HN       ARG  55   5.726   5.032   8.181
  396    HA   ARG  55           HA       ARG  55   7.467   4.260  10.283
  397    HB2  ARG  55           HB2      ARG  55   5.342   3.209   9.931
  398    HB3  ARG  55           HB1      ARG  55   5.797   2.712   8.322
  399    HG2  ARG  55           HG2      ARG  55   7.333   1.080   9.224
  400    HG3  ARG  55           HG1      ARG  55   7.010   1.650  10.872
  401    HD2  ARG  55           HD2      ARG  55   4.699   1.012  10.709
  402    HD3  ARG  55           HD1      ARG  55   4.887   0.610   9.009
  403    HE   ARG  55           HE       ARG  55   6.594  -1.088  10.137
  404   HH11  ARG  55          HH11      ARG  55   3.289  -0.256  11.126
  405   HH12  ARG  55          HH12      ARG  55   2.829  -1.815  11.559
  406   HH21  ARG  55          HH21      ARG  55   5.989  -3.336  10.769
  407   HH22  ARG  55          HH22      ARG  55   4.430  -3.576  11.419
  408    H    TYR  56           HN       TYR  56   7.787   4.000   6.722
  409    HA   TYR  56           HA       TYR  56  10.360   2.709   7.260
  410    HB2  TYR  56           HB2      TYR  56   8.703   2.540   4.737
  411    HB3  TYR  56           HB1      TYR  56  10.270   1.764   4.996
  412    HD1  TYR  56           HD1      TYR  56  10.466   0.181   7.017
  413    HD2  TYR  56           HD2      TYR  56   6.753   1.392   5.342
  414    HE1  TYR  56           HE1      TYR  56   9.368  -1.726   8.100
  415    HE2  TYR  56           HE2      TYR  56   5.640  -0.516   6.419
  416    HH   TYR  56           HH       TYR  56   6.303  -2.780   7.286
  417    H    GLY  57           HN       GLY  57   9.220   5.653   6.573
  418    HA2  GLY  57           HA2      GLY  57  10.321   7.586   6.067
  419    HA3  GLY  57           HA1      GLY  57  11.812   6.659   6.061
  420    H    VAL  58           HN       VAL  58   8.942   6.516   3.990
  421    HA   VAL  58           HA       VAL  58  10.749   6.958   1.727
  422    HB   VAL  58           HB       VAL  58   9.173   5.727   0.270
  423   HG11  VAL  58          HG11      VAL  58  11.008   4.506   1.294
  424   HG12  VAL  58          HG12      VAL  58   9.577   3.476   1.148
  425   HG13  VAL  58          HG13      VAL  58   9.998   4.182   2.709
  426   HG21  VAL  58          HG21      VAL  58   7.661   5.162   2.822
  427   HG22  VAL  58          HG22      VAL  58   7.351   4.406   1.257
  428   HG23  VAL  58          HG23      VAL  58   7.099   6.143   1.467
  429    H    SER  59           HN       SER  59   9.079   7.606  -0.293
  430    HA   SER  59           HA       SER  59   7.257   9.671   0.624
  431    HB2  SER  59           HB2      SER  59   9.537  10.247  -1.297
  432    HB3  SER  59           HB1      SER  59   8.328  11.394  -0.725
  433    HG   SER  59           HG       SER  59   9.359  10.345   1.410
  434    H    ILE  60           HN       ILE  60   5.428   9.301  -0.510
  435    HA   ILE  60           HA       ILE  60   5.680   8.572  -3.343
  436    HB   ILE  60           HB       ILE  60   3.614   7.527  -1.377
  437   HG12  ILE  60          HG12      ILE  60   5.649   6.073  -3.080
  438   HG13  ILE  60          HG11      ILE  60   5.742   6.287  -1.337
  439   HG21  ILE  60          HG21      ILE  60   3.698   7.156  -4.376
  440   HG22  ILE  60          HG22      ILE  60   2.499   8.076  -3.467
  441   HG23  ILE  60          HG23      ILE  60   2.592   6.323  -3.277
  442   HD11  ILE  60          HD11      ILE  60   4.981   4.060  -1.877
  443   HD12  ILE  60          HD12      ILE  60   3.665   4.723  -2.846
  444   HD13  ILE  60          HD13      ILE  60   3.680   4.964  -1.098
  445    HA   PRO  61           HA       PRO  61   3.355  12.353  -3.838
  446    HB2  PRO  61           HB2      PRO  61   2.911  11.210  -6.542
  447    HB3  PRO  61           HB1      PRO  61   3.595  12.777  -6.088
  448    HG2  PRO  61           HG2      PRO  61   5.143  10.818  -7.038
  449    HG3  PRO  61           HG1      PRO  61   5.712  11.905  -5.756
  450    HD2  PRO  61           HD2      PRO  61   4.721   9.096  -5.561
  451    HD3  PRO  61           HD1      PRO  61   6.052   9.892  -4.688
  452    H    ASP  62           HN       ASP  62   1.250  12.742  -3.519
  453    HA   ASP  62           HA       ASP  62  -0.594  10.724  -2.949
  454    HB2  ASP  62           HB2      ASP  62  -2.271  12.485  -2.671
  455    HB3  ASP  62           HB1      ASP  62  -0.742  13.009  -1.988
  456    H    ASP  63           HN       ASP  63  -0.042  12.532  -5.880
  457    HA   ASP  63           HA       ASP  63  -2.293  11.843  -7.375
  458    HB2  ASP  63           HB2      ASP  63  -0.779  13.505  -8.216
  459    HB3  ASP  63           HB1      ASP  63   0.556  12.358  -8.204
  460    H    VAL  64           HN       VAL  64   0.765  10.165  -6.965
  461    HA   VAL  64           HA       VAL  64   0.124   8.103  -8.834
  462    HB   VAL  64           HB       VAL  64   2.321   8.055  -6.748
  463   HG11  VAL  64          HG11      VAL  64   1.922   5.902  -7.788
  464   HG12  VAL  64          HG12      VAL  64   3.459   6.572  -8.348
  465   HG13  VAL  64          HG13      VAL  64   2.043   6.632  -9.390
  466   HG21  VAL  64          HG21      VAL  64   2.499  10.094  -8.049
  467   HG22  VAL  64          HG22      VAL  64   2.405   9.175  -9.552
  468   HG23  VAL  64          HG23      VAL  64   3.797   8.981  -8.482
  469    H    ALA  65           HN       ALA  65  -0.154   8.464  -5.326
  470    HA   ALA  65           HA       ALA  65  -0.580   5.855  -4.547
  471    HB1  ALA  65           HB1      ALA  65  -1.759   8.422  -3.468
  472    HB2  ALA  65           HB2      ALA  65  -0.228   7.701  -2.974
  473    HB3  ALA  65           HB3      ALA  65  -1.754   6.879  -2.622
  474    H    GLY  66           HN       GLY  66  -2.891   8.347  -5.572
  475    HA2  GLY  66           HA2      GLY  66  -5.116   6.532  -5.424
  476    HA3  GLY  66           HA1      GLY  66  -5.150   8.167  -6.062
  477    H    ARG  67           HN       ARG  67  -2.664   6.729  -7.626
  478    HA   ARG  67           HA       ARG  67  -4.409   6.038  -9.861
  479    HB2  ARG  67           HB2      ARG  67  -1.691   7.278  -9.783
  480    HB3  ARG  67           HB1      ARG  67  -2.314   6.505 -11.229
  481    HG2  ARG  67           HG2      ARG  67  -4.152   8.059 -11.344
  482    HG3  ARG  67           HG1      ARG  67  -3.690   8.776  -9.794
  483    HD2  ARG  67           HD2      ARG  67  -2.962  10.097 -11.778
  484    HD3  ARG  67           HD1      ARG  67  -1.640   9.599 -10.717
  485    HE   ARG  67           HE       ARG  67  -2.324   8.094 -13.149
  486   HH11  ARG  67          HH11      ARG  67   0.074   9.999 -11.340
  487   HH12  ARG  67          HH12      ARG  67   1.402   9.328 -12.154
  488   HH21  ARG  67          HH21      ARG  67  -0.554   7.223 -14.250
  489   HH22  ARG  67          HH22      ARG  67   1.054   7.697 -13.892
  490    H    VAL  68           HN       VAL  68  -2.792   4.395  -7.596
  491    HA   VAL  68           HA       VAL  68  -1.814   2.446  -9.487
  492    HB   VAL  68           HB       VAL  68  -1.125   1.019  -7.542
  493   HG11  VAL  68          HG11      VAL  68   0.447   2.563  -8.498
  494   HG12  VAL  68          HG12      VAL  68   0.676   2.452  -6.752
  495   HG13  VAL  68          HG13      VAL  68  -0.144   3.848  -7.445
  496   HG21  VAL  68          HG21      VAL  68  -2.784   1.708  -5.890
  497   HG22  VAL  68          HG22      VAL  68  -2.096   3.336  -5.873
  498   HG23  VAL  68          HG23      VAL  68  -1.137   1.970  -5.292
  499    H    ASP  69           HN       ASP  69  -2.538  -0.023  -8.718
  500    HA   ASP  69           HA       ASP  69  -5.491   0.101  -8.513
  501    HB2  ASP  69           HB2      ASP  69  -4.576  -0.147 -10.911
  502    HB3  ASP  69           HB1      ASP  69  -3.994  -1.706 -10.384
  503    H    THR  70           HN       THR  70  -2.681  -1.964  -8.713
  504    HA   THR  70           HA       THR  70  -3.889  -3.834  -6.824
  505    HB   THR  70           HB       THR  70  -2.233  -5.438  -7.731
  506    HG1  THR  70           HG1      THR  70  -1.536  -3.256  -9.467
  507   HG21  THR  70          HG21      THR  70  -3.156  -5.600 -10.027
  508   HG22  THR  70          HG22      THR  70  -3.815  -3.965  -9.849
  509   HG23  THR  70          HG23      THR  70  -4.415  -5.274  -8.835
  510    HA   PRO  71           HA       PRO  71  -1.060  -2.636  -3.593
  511    HB2  PRO  71           HB2      PRO  71  -0.687  -5.577  -3.215
  512    HB3  PRO  71           HB1      PRO  71  -1.073  -4.327  -2.026
  513    HG2  PRO  71           HG2      PRO  71  -2.973  -5.930  -2.885
  514    HG3  PRO  71           HG1      PRO  71  -3.295  -4.199  -2.684
  515    HD2  PRO  71           HD2      PRO  71  -2.776  -5.752  -5.194
  516    HD3  PRO  71           HD1      PRO  71  -3.937  -4.439  -4.891
  517    H    ARG  72           HN       ARG  72  -0.047  -5.050  -5.986
  518    HA   ARG  72           HA       ARG  72   2.664  -5.070  -5.226
  519    HB2  ARG  72           HB2      ARG  72   3.213  -6.129  -7.316
  520    HB3  ARG  72           HB1      ARG  72   1.699  -6.804  -6.746
  521    HG2  ARG  72           HG2      ARG  72   0.466  -5.606  -8.388
  522    HG3  ARG  72           HG1      ARG  72   1.877  -4.636  -8.827
  523    HD2  ARG  72           HD2      ARG  72   1.699  -6.257 -10.520
  524    HD3  ARG  72           HD1      ARG  72   2.998  -6.815  -9.476
  525    HE   ARG  72           HE       ARG  72   0.300  -7.941  -9.675
  526   HH11  ARG  72          HH11      ARG  72   3.590  -8.372  -8.296
  527   HH12  ARG  72          HH12      ARG  72   3.438 -10.071  -8.274
  528   HH21  ARG  72          HH21      ARG  72   0.232 -10.187  -9.692
  529   HH22  ARG  72          HH22      ARG  72   1.497 -11.168  -9.078
  530    H    GLU  73           HN       GLU  73   0.867  -2.875  -7.235
  531    HA   GLU  73           HA       GLU  73   3.110  -1.499  -8.377
  532    HB2  GLU  73           HB2      GLU  73   0.265  -0.616  -7.927
  533    HB3  GLU  73           HB1      GLU  73   1.451   0.251  -8.889
  534    HG2  GLU  73           HG2      GLU  73   1.531  -1.491 -10.489
  535    HG3  GLU  73           HG1      GLU  73   0.574  -2.557  -9.453
  536    H    LEU  74           HN       LEU  74   0.986  -0.958  -5.659
  537    HA   LEU  74           HA       LEU  74   1.982   1.508  -4.721
  538    HB2  LEU  74           HB2      LEU  74  -0.124   0.113  -4.034
  539    HB3  LEU  74           HB1      LEU  74   1.041  -0.725  -3.012
  540    HG   LEU  74           HG       LEU  74  -0.427   1.028  -1.864
  541   HD11  LEU  74          HD11      LEU  74   1.345   1.904  -0.458
  542   HD12  LEU  74          HD12      LEU  74   2.542   1.394  -1.655
  543   HD13  LEU  74          HD13      LEU  74   1.583   0.184  -0.798
  544   HD21  LEU  74          HD21      LEU  74   1.401   2.910  -3.325
  545   HD22  LEU  74          HD22      LEU  74   0.265   3.360  -2.057
  546   HD23  LEU  74          HD23      LEU  74  -0.334   2.735  -3.596
  547    H    LEU  75           HN       LEU  75   2.697  -1.841  -3.905
  548    HA   LEU  75           HA       LEU  75   4.669  -1.495  -2.004
  549    HB2  LEU  75           HB2      LEU  75   3.470  -3.530  -2.371
  550    HB3  LEU  75           HB1      LEU  75   4.100  -3.655  -4.002
  551    HG   LEU  75           HG       LEU  75   6.322  -3.826  -3.022
  552   HD11  LEU  75          HD11      LEU  75   6.490  -4.562  -0.655
  553   HD12  LEU  75          HD12      LEU  75   4.765  -4.221  -0.465
  554   HD13  LEU  75          HD13      LEU  75   5.888  -2.910  -0.820
  555   HD21  LEU  75          HD21      LEU  75   5.157  -5.689  -3.895
  556   HD22  LEU  75          HD22      LEU  75   4.297  -5.929  -2.374
  557   HD23  LEU  75          HD23      LEU  75   6.048  -6.220  -2.460
  558    H    ASP  76           HN       ASP  76   4.774  -1.684  -5.512
  559    HA   ASP  76           HA       ASP  76   7.597  -1.840  -5.772
  560    HB2  ASP  76           HB2      ASP  76   6.060  -2.573  -7.553
  561    HB3  ASP  76           HB1      ASP  76   5.524  -0.918  -7.778
  562    H    LEU  77           HN       LEU  77   5.295   0.809  -5.688
  563    HA   LEU  77           HA       LEU  77   7.037   2.937  -6.246
  564    HB2  LEU  77           HB2      LEU  77   4.682   2.843  -4.372
  565    HB3  LEU  77           HB1      LEU  77   5.448   4.302  -4.945
  566    HG   LEU  77           HG       LEU  77   3.987   2.301  -6.654
  567   HD11  LEU  77          HD11      LEU  77   2.286   4.044  -6.850
  568   HD12  LEU  77          HD12      LEU  77   3.182   5.041  -5.695
  569   HD13  LEU  77          HD13      LEU  77   2.487   3.499  -5.187
  570   HD21  LEU  77          HD21      LEU  77   4.185   4.002  -8.412
  571   HD22  LEU  77          HD22      LEU  77   5.764   3.420  -7.884
  572   HD23  LEU  77          HD23      LEU  77   5.178   4.988  -7.339
  573    H    ILE  78           HN       ILE  78   6.096   1.404  -3.213
  574    HA   ILE  78           HA       ILE  78   7.711   2.791  -1.403
  575    HB   ILE  78           HB       ILE  78   6.897  -0.135  -1.390
  576   HG12  ILE  78          HG12      ILE  78   4.968   1.432  -1.365
  577   HG13  ILE  78          HG11      ILE  78   5.117   0.550   0.148
  578   HG21  ILE  78          HG21      ILE  78   7.980   1.516   0.897
  579   HG22  ILE  78          HG22      ILE  78   8.803   0.186   0.090
  580   HG23  ILE  78          HG23      ILE  78   7.345  -0.125   1.034
  581   HD11  ILE  78          HD11      ILE  78   6.015   3.376  -0.338
  582   HD12  ILE  78          HD12      ILE  78   6.151   2.496   1.183
  583   HD13  ILE  78          HD13      ILE  78   4.557   2.877   0.524
  584    H    ASN  79           HN       ASN  79   8.344  -0.233  -3.124
  585    HA   ASN  79           HA       ASN  79  10.945  -0.755  -2.316
  586    HB2  ASN  79           HB2      ASN  79   9.685  -1.338  -5.010
  587    HB3  ASN  79           HB1      ASN  79  11.234  -1.984  -4.487
  588   HD21  ASN  79          HD21      ASN  79  10.238  -2.294  -1.733
  589   HD22  ASN  79          HD22      ASN  79   9.218  -3.681  -1.741
  590    H    GLY  80           HN       GLY  80   9.932   1.137  -5.122
  591    HA2  GLY  80           HA2      GLY  80  12.504   1.789  -6.049
  592    HA3  GLY  80           HA1      GLY  80  11.031   2.689  -6.387
  593    H    ALA  81           HN       ALA  81  10.260   3.681  -4.044
  594    HA   ALA  81           HA       ALA  81  11.964   5.904  -3.705
  595    HB1  ALA  81           HB1      ALA  81   9.666   5.014  -1.964
  596    HB2  ALA  81           HB2      ALA  81   9.545   6.029  -3.403
  597    HB3  ALA  81           HB3      ALA  81  10.402   6.619  -1.981
  598    H    LEU  82           HN       LEU  82  11.610   2.922  -1.851
  599    HA   LEU  82           HA       LEU  82  13.082   3.816   0.382
  600    HB2  LEU  82           HB2      LEU  82  11.444   2.039   0.540
  601    HB3  LEU  82           HB1      LEU  82  12.343   1.072  -0.604
  602    HG   LEU  82           HG       LEU  82  14.177   0.960   0.970
  603   HD11  LEU  82          HD11      LEU  82  13.779   2.959   2.289
  604   HD12  LEU  82          HD12      LEU  82  13.759   1.559   3.366
  605   HD13  LEU  82          HD13      LEU  82  12.243   2.313   2.864
  606   HD21  LEU  82          HD21      LEU  82  13.095  -0.657   2.503
  607   HD22  LEU  82          HD22      LEU  82  12.586  -0.842   0.817
  608   HD23  LEU  82          HD23      LEU  82  11.524  -0.043   1.980
  609    H    ALA  83           HN       ALA  83  13.858   1.899  -2.507
  610    HA   ALA  83           HA       ALA  83  16.423   1.103  -1.740
  611    HB1  ALA  83           HB1      ALA  83  15.386   1.553  -4.532
  612    HB2  ALA  83           HB2      ALA  83  15.181   0.084  -3.577
  613    HB3  ALA  83           HB3      ALA  83  16.796   0.584  -4.082
  614    H    GLU  84           HN       GLU  84  15.330   4.138  -3.107
  615    HA   GLU  84           HA       GLU  84  17.963   4.995  -3.773
  616    HB2  GLU  84           HB2      GLU  84  15.289   6.358  -3.763
  617    HB3  GLU  84           HB1      GLU  84  16.781   7.073  -4.347
  618    HG2  GLU  84           HG2      GLU  84  15.465   4.601  -5.461
  619    HG3  GLU  84           HG1      GLU  84  15.401   6.213  -6.176
  620    H    ALA  85           HN       ALA  85  15.877   5.166  -1.011
  621    HA   ALA  85           HA       ALA  85  17.374   7.421   0.117
  622    HB1  ALA  85           HB1      ALA  85  14.925   7.513   0.228
  623    HB2  ALA  85           HB2      ALA  85  15.658   7.510   1.830
  624    HB3  ALA  85           HB3      ALA  85  14.924   6.034   1.195
  625    H    ALA  86           HN       ALA  86  16.977   4.011   0.431
  626    HA   ALA  86           HA       ALA  86  18.758   4.013   2.743
  627    HB1  ALA  86           HB1      ALA  86  16.544   3.059   3.217
  628    HB2  ALA  86           HB2      ALA  86  17.795   1.818   3.276
  629    HB3  ALA  86           HB3      ALA  86  16.740   1.935   1.873
  630   H28A  SDO 101          H28A      SDO  42 -10.249  11.938  -1.929
  631   H28B  SDO 101          H28B      SDO  42  -8.893  10.867  -1.579
  632   H30A  SDO 101          H30A      SDO  42  -7.803  12.380  -0.086
  633   H30B  SDO 101          H30B      SDO  42  -9.200  13.446  -0.232
  634   H30C  SDO 101          H30C      SDO  42  -7.577  14.081  -0.491
  635   H31A  SDO 101          H31A      SDO  42  -6.285  13.385  -2.566
  636   H31B  SDO 101          H31B      SDO  42  -7.012  12.208  -3.666
  637   H31C  SDO 101          H31C      SDO  42  -6.516  11.717  -2.043
  638   H32A  SDO 101          H32A      SDO  42  -9.003  13.850  -3.944
  639   H33A  SDO 101          H33A      SDO  42  -7.138  14.981  -3.381
  640   H36A  SDO 101          H36A      SDO  42  -9.490  16.464  -2.419
  641   H37A  SDO 101          H37A      SDO  42 -12.059  16.970  -2.524
  642   H37B  SDO 101          H37B      SDO  42 -12.074  15.939  -1.089
  643   H38A  SDO 101          H38A      SDO  42 -10.484  18.510  -1.383
  644   H38B  SDO 101          H38B      SDO  42 -12.067  18.400  -0.668
  645   H41A  SDO 101          H41A      SDO  42 -10.784  15.602   0.244
  646   H42A  SDO 101          H42A      SDO  42  -8.864  15.570   1.995
  647   H42B  SDO 101          H42B      SDO  42 -10.032  16.533   2.904
  648   H43A  SDO 101          H43A      SDO  42 -10.480  13.786   1.791
  649   H43B  SDO 101          H43B      SDO  42 -11.640  14.704   2.728
  650    H1A  SDO 101           H1A      SDO  42  -9.000  14.710   6.035
  651    H1B  SDO 101           H1B      SDO  42  -7.870  13.776   5.084
  652    H2A  SDO 101           H2A      SDO  42  -8.888  16.489   4.363
  653    H2B  SDO 101           H2B      SDO  42  -7.712  15.563   3.476
  654    H4A  SDO 101           H4A      SDO  42  -6.261  16.891   7.258
  655    H4B  SDO 101           H4B      SDO  42  -5.133  15.927   6.347
  656    H5A  SDO 101           H5A      SDO  42  -6.547  13.959   6.595
  657    H5B  SDO 101           H5B      SDO  42  -7.674  14.906   7.569
  658    H6A  SDO 101           H6A      SDO  42  -5.879  15.367   9.183
  659    H6B  SDO 101           H6B      SDO  42  -4.768  14.399   8.219
  660    H8A  SDO 101           H8A      SDO  42  -7.400  12.478   7.699
  661    H8B  SDO 101           H8B      SDO  42  -8.309  12.816   9.178
  662    H8C  SDO 101           H8C      SDO  42  -7.249  11.404   9.090
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  22.283  -0.309   5.127
    2    H2   MET   1           HT2      MET   1  21.939   0.933   3.993
    3    H3   MET   1           HT3      MET   1  23.206  -0.149   3.713
    4    HA   MET   1           HA       MET   1  21.244  -0.612   2.392
    5    HB2  MET   1           HB2      MET   1  22.911  -2.380   3.152
    6    HB3  MET   1           HB1      MET   1  21.833  -2.739   4.483
    7    HG2  MET   1           HG2      MET   1  20.109  -3.467   2.952
    8    HG3  MET   1           HG1      MET   1  21.123  -3.030   1.576
    9    HE1  MET   1           HE1      MET   1  21.182  -6.962   1.436
   10    HE2  MET   1           HE2      MET   1  20.830  -5.480   0.550
   11    HE3  MET   1           HE3      MET   1  19.819  -5.954   1.919
   12    H    ALA   2           HN       ALA   2  19.020  -0.930   2.337
   13    HA   ALA   2           HA       ALA   2  17.696  -0.336   4.887
   14    HB1  ALA   2           HB1      ALA   2  15.946   0.731   3.578
   15    HB2  ALA   2           HB2      ALA   2  16.780   0.298   2.083
   16    HB3  ALA   2           HB3      ALA   2  17.519   1.438   3.207
   17    H    THR   3           HN       THR   3  15.899  -1.506   5.468
   18    HA   THR   3           HA       THR   3  15.590  -4.137   4.515
   19    HB   THR   3           HB       THR   3  13.532  -4.042   6.003
   20    HG1  THR   3           HG1      THR   3  13.319  -1.755   5.672
   21   HG21  THR   3          HG21      THR   3  14.836  -3.846   8.085
   22   HG22  THR   3          HG22      THR   3  16.160  -3.122   7.174
   23   HG23  THR   3          HG23      THR   3  15.683  -4.796   6.864
   24    H    LEU   4           HN       LEU   4  15.019  -4.152   2.345
   25    HA   LEU   4           HA       LEU   4  13.081  -2.531   1.105
   26    HB2  LEU   4           HB2      LEU   4  14.929  -4.132   0.120
   27    HB3  LEU   4           HB1      LEU   4  13.675  -5.348   0.238
   28    HG   LEU   4           HG       LEU   4  12.268  -3.865  -1.220
   29   HD11  LEU   4          HD11      LEU   4  14.889  -2.396  -1.545
   30   HD12  LEU   4          HD12      LEU   4  13.440  -1.768  -0.757
   31   HD13  LEU   4          HD13      LEU   4  13.420  -2.115  -2.479
   32   HD21  LEU   4          HD21      LEU   4  14.913  -4.809  -2.336
   33   HD22  LEU   4          HD22      LEU   4  13.462  -4.473  -3.271
   34   HD23  LEU   4          HD23      LEU   4  13.471  -5.804  -2.114
   35    H    LEU   5           HN       LEU   5  10.838  -2.954   0.736
   36    HA   LEU   5           HA       LEU   5   9.700  -4.643   2.764
   37    HB2  LEU   5           HB2      LEU   5   8.494  -2.678   0.861
   38    HB3  LEU   5           HB1      LEU   5   7.483  -3.754   1.786
   39    HG   LEU   5           HG       LEU   5   8.692  -2.765   3.830
   40   HD11  LEU   5          HD11      LEU   5  10.478  -1.605   2.706
   41   HD12  LEU   5          HD12      LEU   5   9.453  -0.461   3.573
   42   HD13  LEU   5          HD13      LEU   5   9.309  -0.624   1.822
   43   HD21  LEU   5          HD21      LEU   5   6.717  -1.174   2.203
   44   HD22  LEU   5          HD22      LEU   5   7.075  -0.919   3.918
   45   HD23  LEU   5          HD23      LEU   5   6.376  -2.447   3.374
   46    H    THR   6           HN       THR   6   8.634  -6.434   2.532
   47    HA   THR   6           HA       THR   6   8.654  -7.654  -0.112
   48    HB   THR   6           HB       THR   6   8.260  -9.780   1.091
   49    HG1  THR   6           HG1      THR   6   8.473  -8.217   3.482
   50   HG21  THR   6          HG21      THR   6  10.596  -9.065   0.760
   51   HG22  THR   6          HG22      THR   6  10.414  -9.934   2.285
   52   HG23  THR   6          HG23      THR   6  10.535  -8.175   2.280
   53    H    THR   7           HN       THR   7   6.660  -9.424   0.002
   54    HA   THR   7           HA       THR   7   4.309  -7.948  -0.330
   55    HB   THR   7           HB       THR   7   4.488 -10.932   0.165
   56    HG1  THR   7           HG1      THR   7   4.667 -10.514  -2.410
   57   HG21  THR   7          HG21      THR   7   2.655 -11.012  -1.455
   58   HG22  THR   7          HG22      THR   7   2.768  -9.274  -1.692
   59   HG23  THR   7          HG23      THR   7   2.236  -9.912  -0.139
   60    H    ASP   8           HN       ASP   8   5.753  -9.691   2.367
   61    HA   ASP   8           HA       ASP   8   3.313  -9.777   3.882
   62    HB2  ASP   8           HB2      ASP   8   6.117 -10.607   4.601
   63    HB3  ASP   8           HB1      ASP   8   4.759 -10.720   5.716
   64    H    ASP   9           HN       ASP   9   6.128  -7.758   3.761
   65    HA   ASP   9           HA       ASP   9   5.659  -6.338   6.173
   66    HB2  ASP   9           HB2      ASP   9   6.955  -5.352   3.612
   67    HB3  ASP   9           HB1      ASP   9   6.914  -4.437   5.107
   68    H    LEU  10           HN       LEU  10   4.568  -5.861   2.879
   69    HA   LEU  10           HA       LEU  10   3.005  -3.570   3.449
   70    HB2  LEU  10           HB2      LEU  10   3.727  -4.121   1.171
   71    HB3  LEU  10           HB1      LEU  10   2.747  -5.575   1.212
   72    HG   LEU  10           HG       LEU  10   0.717  -4.166   1.408
   73   HD11  LEU  10          HD11      LEU  10   2.633  -1.890   0.980
   74   HD12  LEU  10          HD12      LEU  10   1.680  -2.211   2.425
   75   HD13  LEU  10          HD13      LEU  10   0.873  -1.779   0.914
   76   HD21  LEU  10          HD21      LEU  10   0.727  -3.398  -0.916
   77   HD22  LEU  10          HD22      LEU  10   1.456  -4.997  -0.769
   78   HD23  LEU  10          HD23      LEU  10   2.479  -3.570  -0.966
   79    H    ARG  11           HN       ARG  11   2.286  -7.003   3.157
   80    HA   ARG  11           HA       ARG  11  -0.384  -7.315   3.439
   81    HB2  ARG  11           HB2      ARG  11   1.066  -9.191   3.268
   82    HB3  ARG  11           HB1      ARG  11   1.881  -8.783   4.761
   83    HG2  ARG  11           HG2      ARG  11  -0.176  -9.381   6.001
   84    HG3  ARG  11           HG1      ARG  11  -0.909  -9.880   4.468
   85    HD2  ARG  11           HD2      ARG  11   0.722 -11.571   4.135
   86    HD3  ARG  11           HD1      ARG  11   1.713 -10.968   5.457
   87    HE   ARG  11           HE       ARG  11  -0.909 -11.807   6.266
   88   HH11  ARG  11          HH11      ARG  11   2.452 -12.915   5.702
   89   HH12  ARG  11          HH12      ARG  11   2.299 -14.238   6.750
   90   HH21  ARG  11          HH21      ARG  11  -1.077 -13.622   7.599
   91   HH22  ARG  11          HH22      ARG  11   0.229 -14.700   7.835
   92    H    ARG  12           HN       ARG  12   1.837  -6.989   6.148
   93    HA   ARG  12           HA       ARG  12  -0.026  -7.048   8.218
   94    HB2  ARG  12           HB2      ARG  12   2.681  -5.774   8.017
   95    HB3  ARG  12           HB1      ARG  12   1.774  -5.880   9.517
   96    HG2  ARG  12           HG2      ARG  12   1.867  -8.274   9.448
   97    HG3  ARG  12           HG1      ARG  12   2.622  -8.245   7.850
   98    HD2  ARG  12           HD2      ARG  12   4.240  -8.608   9.687
   99    HD3  ARG  12           HD1      ARG  12   4.573  -7.151   8.751
  100    HE   ARG  12           HE       ARG  12   2.942  -6.719  11.068
  101   HH11  ARG  12          HH11      ARG  12   6.271  -6.858   9.862
  102   HH12  ARG  12          HH12      ARG  12   6.898  -5.875  11.101
  103   HH21  ARG  12          HH21      ARG  12   3.745  -5.309  12.662
  104   HH22  ARG  12          HH22      ARG  12   5.404  -4.921  12.746
  105    H    ALA  13           HN       ALA  13   1.501  -4.208   6.737
  106    HA   ALA  13           HA       ALA  13   0.000  -2.385   8.290
  107    HB1  ALA  13           HB1      ALA  13   2.199  -1.845   7.367
  108    HB2  ALA  13           HB2      ALA  13   0.970  -0.660   6.910
  109    HB3  ALA  13           HB3      ALA  13   1.506  -1.870   5.743
  110    H    LEU  14           HN       LEU  14  -0.518  -3.777   5.091
  111    HA   LEU  14           HA       LEU  14  -2.538  -2.055   4.242
  112    HB2  LEU  14           HB2      LEU  14  -1.273  -3.770   2.889
  113    HB3  LEU  14           HB1      LEU  14  -2.261  -5.001   3.651
  114    HG   LEU  14           HG       LEU  14  -4.254  -4.062   2.618
  115   HD11  LEU  14          HD11      LEU  14  -4.069  -2.303   0.947
  116   HD12  LEU  14          HD12      LEU  14  -2.343  -2.150   1.288
  117   HD13  LEU  14          HD13      LEU  14  -3.532  -1.732   2.524
  118   HD21  LEU  14          HD21      LEU  14  -2.009  -4.565   0.670
  119   HD22  LEU  14          HD22      LEU  14  -3.729  -4.632   0.298
  120   HD23  LEU  14          HD23      LEU  14  -3.026  -5.792   1.427
  121    H    VAL  15           HN       VAL  15  -2.672  -5.083   6.082
  122    HA   VAL  15           HA       VAL  15  -5.455  -5.210   6.440
  123    HB   VAL  15           HB       VAL  15  -3.222  -6.247   8.223
  124   HG11  VAL  15          HG11      VAL  15  -6.165  -6.948   8.254
  125   HG12  VAL  15          HG12      VAL  15  -5.291  -6.075   9.517
  126   HG13  VAL  15          HG13      VAL  15  -4.912  -7.765   9.191
  127   HG21  VAL  15          HG21      VAL  15  -3.199  -7.214   5.998
  128   HG22  VAL  15          HG22      VAL  15  -4.908  -7.590   6.113
  129   HG23  VAL  15          HG23      VAL  15  -3.752  -8.421   7.162
  130    H    GLU  16           HN       GLU  16  -2.918  -3.741   8.501
  131    HA   GLU  16           HA       GLU  16  -4.598  -2.771  10.497
  132    HB2  GLU  16           HB2      GLU  16  -2.035  -1.564   9.491
  133    HB3  GLU  16           HB1      GLU  16  -2.825  -1.175  11.017
  134    HG2  GLU  16           HG2      GLU  16  -2.551  -3.584  11.640
  135    HG3  GLU  16           HG1      GLU  16  -1.575  -3.764  10.194
  136    H    SER  17           HN       SER  17  -3.709  -1.299   7.402
  137    HA   SER  17           HA       SER  17  -4.950   1.185   8.093
  138    HB2  SER  17           HB2      SER  17  -4.488   1.752   5.665
  139    HB3  SER  17           HB1      SER  17  -3.089   1.408   6.678
  140    HG   SER  17           HG       SER  17  -2.941  -0.608   5.764
  141    H    ALA  18           HN       ALA  18  -6.179  -1.714   7.012
  142    HA   ALA  18           HA       ALA  18  -8.423  -0.516   5.675
  143    HB1  ALA  18           HB1      ALA  18  -7.987  -3.352   6.608
  144    HB2  ALA  18           HB2      ALA  18  -7.707  -2.735   4.972
  145    HB3  ALA  18           HB3      ALA  18  -9.340  -2.779   5.636
  146    H    GLY  19           HN       GLY  19  -9.328   0.793   7.044
  147    HA2  GLY  19           HA2      GLY  19  -9.567   0.856   9.731
  148    HA3  GLY  19           HA1      GLY  19 -10.791   1.527   8.677
  149    H    GLU  20           HN       GLU  20 -12.121  -0.580   7.695
  150    HA   GLU  20           HA       GLU  20 -12.900  -2.087  10.105
  151    HB2  GLU  20           HB2      GLU  20 -14.476  -0.256   9.408
  152    HB3  GLU  20           HB1      GLU  20 -14.708  -1.131   7.906
  153    HG2  GLU  20           HG2      GLU  20 -15.616  -3.020   9.175
  154    HG3  GLU  20           HG1      GLU  20 -15.416  -2.078  10.659
  155    H    THR  21           HN       THR  21 -11.493  -2.317   7.283
  156    HA   THR  21           HA       THR  21 -12.759  -4.825   6.474
  157    HB   THR  21           HB       THR  21 -10.842  -3.123   4.841
  158    HG1  THR  21           HG1      THR  21 -13.697  -3.160   4.831
  159   HG21  THR  21          HG21      THR  21 -12.940  -5.161   4.018
  160   HG22  THR  21          HG22      THR  21 -11.206  -5.461   4.078
  161   HG23  THR  21          HG23      THR  21 -11.859  -4.275   2.934
  162    H    ASP  22           HN       ASP  22 -11.144  -4.835   8.759
  163    HA   ASP  22           HA       ASP  22  -8.709  -6.044   7.868
  164    HB2  ASP  22           HB2      ASP  22  -8.217  -6.304  10.235
  165    HB3  ASP  22           HB1      ASP  22  -8.484  -4.613   9.806
  166    H    GLY  23           HN       GLY  23 -11.394  -6.965   7.639
  167    HA2  GLY  23           HA2      GLY  23 -11.016  -9.770   8.508
  168    HA3  GLY  23           HA1      GLY  23 -12.621  -9.018   8.497
  169    H    THR  24           HN       THR  24  -9.901  -9.136   6.296
  170    HA   THR  24           HA       THR  24 -11.744 -10.022   4.228
  171    HB   THR  24           HB       THR  24 -11.182  -7.666   3.799
  172    HG1  THR  24           HG1      THR  24 -11.368  -8.526   1.895
  173   HG21  THR  24          HG21      THR  24  -8.870  -6.957   3.366
  174   HG22  THR  24          HG22      THR  24  -8.310  -8.577   3.798
  175   HG23  THR  24          HG23      THR  24  -9.069  -7.554   5.016
  176    H    ASP  25           HN       ASP  25  -9.776 -10.470   2.273
  177    HA   ASP  25           HA       ASP  25  -8.681 -12.964   3.430
  178    HB2  ASP  25           HB2      ASP  25 -10.415 -12.964   1.513
  179    HB3  ASP  25           HB1      ASP  25  -9.096 -12.403   0.489
  180    H    LEU  26           HN       LEU  26  -7.484 -10.270   3.405
  181    HA   LEU  26           HA       LEU  26  -5.271 -10.220   1.580
  182    HB2  LEU  26           HB2      LEU  26  -6.301  -8.491   3.730
  183    HB3  LEU  26           HB1      LEU  26  -4.590  -8.357   3.400
  184    HG   LEU  26           HG       LEU  26  -5.014  -7.639   1.128
  185   HD11  LEU  26          HD11      LEU  26  -7.944  -8.078   1.696
  186   HD12  LEU  26          HD12      LEU  26  -6.948  -9.028   0.593
  187   HD13  LEU  26          HD13      LEU  26  -7.272  -7.329   0.249
  188   HD21  LEU  26          HD21      LEU  26  -5.106  -5.971   2.883
  189   HD22  LEU  26          HD22      LEU  26  -6.840  -6.236   3.059
  190   HD23  LEU  26          HD23      LEU  26  -6.195  -5.564   1.556
  191    H    SER  27           HN       SER  27  -5.152 -12.589   3.024
  192    HA   SER  27           HA       SER  27  -2.549 -12.250   4.303
  193    HB2  SER  27           HB2      SER  27  -4.406 -12.745   5.986
  194    HB3  SER  27           HB1      SER  27  -4.624 -14.297   5.157
  195    HG   SER  27           HG       SER  27  -3.193 -14.802   6.709
  196    H    GLY  28           HN       GLY  28  -1.043 -13.509   3.296
  197    HA2  GLY  28           HA2      GLY  28  -0.312 -15.480   2.238
  198    HA3  GLY  28           HA1      GLY  28  -1.971 -15.811   1.749
  199    H    ASP  29           HN       ASP  29  -1.968 -15.806  -0.399
  200    HA   ASP  29           HA       ASP  29  -0.432 -13.748  -1.754
  201    HB2  ASP  29           HB2      ASP  29  -1.799 -16.187  -2.911
  202    HB3  ASP  29           HB1      ASP  29  -1.037 -14.940  -3.889
  203    H    PHE  30           HN       PHE  30  -1.604 -12.089  -1.176
  204    HA   PHE  30           HA       PHE  30  -4.277 -11.798  -2.406
  205    HB2  PHE  30           HB2      PHE  30  -4.585  -9.931  -0.837
  206    HB3  PHE  30           HB1      PHE  30  -4.108 -11.376   0.051
  207    HD1  PHE  30           HD2      PHE  30  -1.790 -11.572   0.930
  208    HD2  PHE  30           HD1      PHE  30  -3.221  -7.975  -0.839
  209    HE1  PHE  30           HE2      PHE  30   0.045 -10.330   1.981
  210    HE2  PHE  30           HE1      PHE  30  -1.382  -6.732   0.213
  211    HZ   PHE  30           HZ       PHE  30   0.314  -7.905   1.497
  212    H    LEU  31           HN       LEU  31  -1.303 -11.464  -3.307
  213    HA   LEU  31           HA       LEU  31  -0.841  -8.715  -3.679
  214    HB2  LEU  31           HB2      LEU  31   0.879 -10.527  -3.555
  215    HB3  LEU  31           HB1      LEU  31   0.449 -10.977  -5.189
  216    HG   LEU  31           HG       LEU  31   1.165  -8.746  -5.975
  217   HD11  LEU  31          HD11      LEU  31   0.748  -7.495  -3.918
  218   HD12  LEU  31          HD12      LEU  31   2.410  -7.285  -4.462
  219   HD13  LEU  31          HD13      LEU  31   2.056  -8.372  -3.115
  220   HD21  LEU  31          HD21      LEU  31   3.225 -10.234  -4.351
  221   HD22  LEU  31          HD22      LEU  31   3.565  -9.094  -5.657
  222   HD23  LEU  31          HD23      LEU  31   2.723 -10.611  -5.999
  223    H    ASP  32           HN       ASP  32  -2.587 -11.000  -5.616
  224    HA   ASP  32           HA       ASP  32  -2.552  -9.238  -7.940
  225    HB2  ASP  32           HB2      ASP  32  -2.417 -11.746  -8.194
  226    HB3  ASP  32           HB1      ASP  32  -4.086 -11.832  -7.623
  227    H    LEU  33           HN       LEU  33  -4.328  -9.589  -5.135
  228    HA   LEU  33           HA       LEU  33  -6.937  -9.071  -6.206
  229    HB2  LEU  33           HB2      LEU  33  -6.503 -10.396  -4.139
  230    HB3  LEU  33           HB1      LEU  33  -5.913  -8.951  -3.357
  231    HG   LEU  33           HG       LEU  33  -8.154  -7.978  -3.415
  232   HD11  LEU  33          HD11      LEU  33  -8.958 -10.569  -4.746
  233   HD12  LEU  33          HD12      LEU  33  -8.922  -8.987  -5.519
  234   HD13  LEU  33          HD13      LEU  33 -10.057  -9.299  -4.201
  235   HD21  LEU  33          HD21      LEU  33  -8.108 -10.817  -2.385
  236   HD22  LEU  33          HD22      LEU  33  -9.227  -9.547  -1.878
  237   HD23  LEU  33          HD23      LEU  33  -7.506  -9.396  -1.528
  238    H    ARG  34           HN       ARG  34  -7.829  -7.113  -6.517
  239    HA   ARG  34           HA       ARG  34  -5.927  -4.906  -6.454
  240    HB2  ARG  34           HB2      ARG  34  -8.617  -5.017  -7.809
  241    HB3  ARG  34           HB1      ARG  34  -7.350  -3.821  -8.065
  242    HG2  ARG  34           HG2      ARG  34  -5.897  -5.597  -8.948
  243    HG3  ARG  34           HG1      ARG  34  -7.220  -6.748  -8.754
  244    HD2  ARG  34           HD2      ARG  34  -8.577  -5.208 -10.226
  245    HD3  ARG  34           HD1      ARG  34  -7.067  -4.370 -10.582
  246    HE   ARG  34           HE       ARG  34  -7.238  -7.255 -10.995
  247   HH11  ARG  34          HH11      ARG  34  -6.551  -4.081 -12.378
  248   HH12  ARG  34          HH12      ARG  34  -6.505  -4.621 -13.992
  249   HH21  ARG  34          HH21      ARG  34  -7.163  -8.027 -13.214
  250   HH22  ARG  34          HH22      ARG  34  -6.877  -6.939 -14.496
  251    H    PHE  35           HN       PHE  35  -6.426  -2.848  -5.723
  252    HA   PHE  35           HA       PHE  35  -7.689  -2.718  -3.199
  253    HB2  PHE  35           HB2      PHE  35  -6.836  -0.470  -5.036
  254    HB3  PHE  35           HB1      PHE  35  -7.410  -0.238  -3.392
  255    HD1  PHE  35           HD2      PHE  35  -6.038  -0.954  -1.487
  256    HD2  PHE  35           HD1      PHE  35  -4.654  -1.297  -5.490
  257    HE1  PHE  35           HE2      PHE  35  -3.741  -1.288  -0.666
  258    HE2  PHE  35           HE1      PHE  35  -2.361  -1.637  -4.672
  259    HZ   PHE  35           HZ       PHE  35  -1.912  -1.515  -2.200
  260    H    GLU  36           HN       GLU  36  -8.862  -2.214  -6.339
  261    HA   GLU  36           HA       GLU  36 -11.090  -0.568  -5.911
  262    HB2  GLU  36           HB2      GLU  36 -10.848  -2.781  -7.937
  263    HB3  GLU  36           HB1      GLU  36 -11.860  -1.352  -8.031
  264    HG2  GLU  36           HG2      GLU  36  -9.892   0.051  -8.227
  265    HG3  GLU  36           HG1      GLU  36  -8.847  -1.365  -8.045
  266    H    ASP  37           HN       ASP  37 -10.762  -4.137  -5.834
  267    HA   ASP  37           HA       ASP  37 -13.604  -4.358  -5.281
  268    HB2  ASP  37           HB2      ASP  37 -12.401  -5.981  -6.802
  269    HB3  ASP  37           HB1      ASP  37 -11.623  -6.635  -5.365
  270    H    ILE  38           HN       ILE  38 -10.662  -4.355  -3.521
  271    HA   ILE  38           HA       ILE  38 -11.980  -5.495  -1.236
  272    HB   ILE  38           HB       ILE  38  -9.833  -5.158   0.020
  273   HG12  ILE  38          HG12      ILE  38  -8.822  -4.295  -2.708
  274   HG13  ILE  38          HG11      ILE  38  -8.937  -3.273  -1.285
  275   HG21  ILE  38          HG21      ILE  38 -10.411  -7.255  -1.037
  276   HG22  ILE  38          HG22      ILE  38  -8.675  -6.968  -1.140
  277   HG23  ILE  38          HG23      ILE  38  -9.695  -6.713  -2.558
  278   HD11  ILE  38          HD11      ILE  38  -7.115  -5.658  -1.599
  279   HD12  ILE  38          HD12      ILE  38  -7.236  -4.645  -0.165
  280   HD13  ILE  38          HD13      ILE  38  -6.646  -3.958  -1.676
  281    H    GLY  39           HN       GLY  39 -12.402  -2.726  -2.493
  282    HA2  GLY  39           HA2      GLY  39 -13.550  -0.926  -1.744
  283    HA3  GLY  39           HA1      GLY  39 -13.674  -1.730  -0.198
  284    H    TYR  40           HN       TYR  40 -10.683  -0.679  -1.800
  285    HA   TYR  40           HA       TYR  40 -10.231   0.965   0.537
  286    HB2  TYR  40           HB2      TYR  40  -8.391   0.068  -1.665
  287    HB3  TYR  40           HB1      TYR  40  -7.974   1.447  -0.667
  288    HD1  TYR  40           HD2      TYR  40  -9.369  -1.972  -0.035
  289    HD2  TYR  40           HD1      TYR  40  -6.485   0.966   1.011
  290    HE1  TYR  40           HE2      TYR  40  -8.465  -3.476   1.678
  291    HE2  TYR  40           HE1      TYR  40  -5.573  -0.531   2.736
  292    HH   TYR  40           HH       TYR  40  -6.130  -2.494   4.025
  293    H    ASP  41           HN       ASP  41 -10.664   2.951   0.644
  294    HA   ASP  41           HA       ASP  41 -11.333   4.435  -1.766
  295    HB2  ASP  41           HB2      ASP  41 -11.663   5.097   1.164
  296    HB3  ASP  41           HB1      ASP  41 -12.064   6.210  -0.138
  297    H    SER  42           HN       SER  42 -10.660   6.866  -1.527
  298    HA   SER  42           HA       SER  42  -7.944   7.035  -1.956
  299    HB2  SER  42           HB2      SER  42  -8.879   9.591  -1.151
  300    HB3  SER  42           HB1      SER  42  -8.678   8.990  -2.798
  301    H    LEU  43           HN       LEU  43  -9.854   7.925   0.901
  302    HA   LEU  43           HA       LEU  43  -7.801   8.860   2.548
  303    HB2  LEU  43           HB2      LEU  43 -10.315   7.381   3.338
  304    HB3  LEU  43           HB1      LEU  43  -9.297   8.283   4.426
  305    HG   LEU  43           HG       LEU  43 -10.857   9.472   2.139
  306   HD11  LEU  43          HD11      LEU  43 -11.336   9.569   5.117
  307   HD12  LEU  43          HD12      LEU  43 -12.286   8.653   3.949
  308   HD13  LEU  43          HD13      LEU  43 -12.279  10.410   3.889
  309   HD21  LEU  43          HD21      LEU  43  -8.794  10.698   2.658
  310   HD22  LEU  43          HD22      LEU  43  -9.277  10.780   4.352
  311   HD23  LEU  43          HD23      LEU  43 -10.226  11.619   3.114
  312    H    ALA  44           HN       ALA  44  -9.162   5.631   2.229
  313    HA   ALA  44           HA       ALA  44  -7.627   4.375   4.226
  314    HB1  ALA  44           HB1      ALA  44  -9.699   3.400   3.337
  315    HB2  ALA  44           HB2      ALA  44  -8.356   2.263   3.255
  316    HB3  ALA  44           HB3      ALA  44  -8.888   3.101   1.798
  317    H    LEU  45           HN       LEU  45  -7.021   4.911   0.818
  318    HA   LEU  45           HA       LEU  45  -4.799   3.172   0.539
  319    HB2  LEU  45           HB2      LEU  45  -6.223   4.402  -1.257
  320    HB3  LEU  45           HB1      LEU  45  -5.160   5.758  -0.986
  321    HG   LEU  45           HG       LEU  45  -4.360   4.746  -2.926
  322   HD11  LEU  45          HD11      LEU  45  -2.516   5.221  -1.492
  323   HD12  LEU  45          HD12      LEU  45  -2.198   3.796  -2.479
  324   HD13  LEU  45          HD13      LEU  45  -2.626   3.607  -0.781
  325   HD21  LEU  45          HD21      LEU  45  -5.613   2.702  -2.852
  326   HD22  LEU  45          HD22      LEU  45  -4.491   2.055  -1.618
  327   HD23  LEU  45          HD23      LEU  45  -3.909   2.445  -3.241
  328    H    MET  46           HN       MET  46  -5.136   6.580   1.455
  329    HA   MET  46           HA       MET  46  -2.333   7.183   1.514
  330    HB2  MET  46           HB2      MET  46  -4.372   8.556   3.252
  331    HB3  MET  46           HB1      MET  46  -2.895   9.236   2.565
  332    HG2  MET  46           HG2      MET  46  -3.993   8.788   0.323
  333    HG3  MET  46           HG1      MET  46  -5.399   8.456   1.344
  334    HE1  MET  46           HE1      MET  46  -6.603  10.364  -0.307
  335    HE2  MET  46           HE2      MET  46  -5.061  10.779  -1.056
  336    HE3  MET  46           HE3      MET  46  -6.065  12.042  -0.349
  337    H    GLU  47           HN       GLU  47  -4.717   6.204   3.769
  338    HA   GLU  47           HA       GLU  47  -3.245   6.176   6.085
  339    HB2  GLU  47           HB2      GLU  47  -5.643   5.191   4.940
  340    HB3  GLU  47           HB1      GLU  47  -5.232   4.335   6.484
  341    HG2  GLU  47           HG2      GLU  47  -5.101   6.753   7.387
  342    HG3  GLU  47           HG1      GLU  47  -5.810   7.244   5.853
  343    H    THR  48           HN       THR  48  -3.276   3.915   3.423
  344    HA   THR  48           HA       THR  48  -1.718   1.917   4.807
  345    HB   THR  48           HB       THR  48  -2.201   2.337   1.841
  346    HG1  THR  48           HG1      THR  48  -3.665   0.846   3.783
  347   HG21  THR  48          HG21      THR  48  -0.319   0.850   2.307
  348   HG22  THR  48          HG22      THR  48  -1.683  -0.067   1.658
  349   HG23  THR  48          HG23      THR  48  -1.332  -0.111   3.387
  350    H    ALA  49           HN       ALA  49  -1.189   4.161   2.084
  351    HA   ALA  49           HA       ALA  49   1.538   3.651   1.717
  352    HB1  ALA  49           HB1      ALA  49   0.065   4.581  -0.001
  353    HB2  ALA  49           HB2      ALA  49   1.550   5.510   0.196
  354    HB3  ALA  49           HB3      ALA  49   0.033   6.111   0.874
  355    H    ALA  50           HN       ALA  50   0.034   6.457   3.362
  356    HA   ALA  50           HA       ALA  50   2.521   7.745   3.857
  357    HB1  ALA  50           HB1      ALA  50   1.219   9.273   5.258
  358    HB2  ALA  50           HB2      ALA  50  -0.167   8.181   5.159
  359    HB3  ALA  50           HB3      ALA  50   0.423   8.991   3.706
  360    H    ARG  51           HN       ARG  51   0.768   5.329   5.404
  361    HA   ARG  51           HA       ARG  51   1.832   5.594   8.044
  362    HB2  ARG  51           HB2      ARG  51  -0.306   4.404   7.022
  363    HB3  ARG  51           HB1      ARG  51   0.785   3.046   6.873
  364    HG2  ARG  51           HG2      ARG  51   0.196   4.450   9.461
  365    HG3  ARG  51           HG1      ARG  51  -0.730   3.085   8.860
  366    HD2  ARG  51           HD2      ARG  51   1.416   1.775   8.862
  367    HD3  ARG  51           HD1      ARG  51   2.160   3.144   9.703
  368    HE   ARG  51           HE       ARG  51   0.396   2.859  11.396
  369   HH11  ARG  51          HH11      ARG  51   1.538   0.100   9.525
  370   HH12  ARG  51          HH12      ARG  51   0.853  -1.072  10.565
  371   HH21  ARG  51          HH21      ARG  51  -0.550   1.283  12.803
  372   HH22  ARG  51          HH22      ARG  51  -0.372  -0.391  12.479
  373    H    LEU  52           HN       LEU  52   2.681   4.058   5.040
  374    HA   LEU  52           HA       LEU  52   4.864   2.501   6.105
  375    HB2  LEU  52           HB2      LEU  52   4.116   3.148   3.248
  376    HB3  LEU  52           HB1      LEU  52   5.326   1.987   3.749
  377    HG   LEU  52           HG       LEU  52   2.373   1.760   4.308
  378   HD11  LEU  52          HD11      LEU  52   2.411  -0.023   2.640
  379   HD12  LEU  52          HD12      LEU  52   4.107   0.339   2.312
  380   HD13  LEU  52          HD13      LEU  52   2.859   1.534   1.944
  381   HD21  LEU  52          HD21      LEU  52   2.917  -0.519   4.993
  382   HD22  LEU  52          HD22      LEU  52   3.767   0.667   5.990
  383   HD23  LEU  52          HD23      LEU  52   4.627  -0.190   4.714
  384    H    GLU  53           HN       GLU  53   4.349   5.423   4.202
  385    HA   GLU  53           HA       GLU  53   6.907   6.194   3.540
  386    HB2  GLU  53           HB2      GLU  53   4.628   7.976   4.379
  387    HB3  GLU  53           HB1      GLU  53   6.103   8.539   3.626
  388    HG2  GLU  53           HG2      GLU  53   5.554   7.193   1.631
  389    HG3  GLU  53           HG1      GLU  53   4.028   6.740   2.398
  390    H    SER  54           HN       SER  54   5.172   6.929   6.513
  391    HA   SER  54           HA       SER  54   7.223   8.493   7.609
  392    HB2  SER  54           HB2      SER  54   5.835   8.125   9.736
  393    HB3  SER  54           HB1      SER  54   5.047   8.912   8.366
  394    HG   SER  54           HG       SER  54   3.787   7.247   8.093
  395    H    ARG  55           HN       ARG  55   6.171   5.191   8.378
  396    HA   ARG  55           HA       ARG  55   8.147   4.698  10.311
  397    HB2  ARG  55           HB2      ARG  55   6.149   3.329  10.244
  398    HB3  ARG  55           HB1      ARG  55   6.568   2.725   8.647
  399    HG2  ARG  55           HG2      ARG  55   8.566   1.644   9.602
  400    HG3  ARG  55           HG1      ARG  55   8.096   2.215  11.199
  401    HD2  ARG  55           HD2      ARG  55   6.077   0.866  11.116
  402    HD3  ARG  55           HD1      ARG  55   6.445   0.391   9.452
  403    HE   ARG  55           HE       ARG  55   8.492  -0.195  11.380
  404   HH11  ARG  55          HH11      ARG  55   5.456  -1.505  10.074
  405   HH12  ARG  55          HH12      ARG  55   5.970  -3.111  10.025
  406   HH21  ARG  55          HH21      ARG  55   9.193  -2.464  11.407
  407   HH22  ARG  55          HH22      ARG  55   8.166  -3.682  10.827
  408    H    TYR  56           HN       TYR  56   8.116   3.778   6.869
  409    HA   TYR  56           HA       TYR  56  10.684   2.499   7.215
  410    HB2  TYR  56           HB2      TYR  56   8.940   2.740   4.762
  411    HB3  TYR  56           HB1      TYR  56  10.461   1.860   4.818
  412    HD1  TYR  56           HD1      TYR  56  10.653  -0.204   6.171
  413    HD2  TYR  56           HD2      TYR  56   6.938   1.820   5.753
  414    HE1  TYR  56           HE1      TYR  56   9.484  -2.202   6.974
  415    HE2  TYR  56           HE2      TYR  56   5.756  -0.187   6.564
  416    HH   TYR  56           HH       TYR  56   7.352  -2.786   8.053
  417    H    GLY  57           HN       GLY  57   9.514   5.505   5.868
  418    HA2  GLY  57           HA2      GLY  57  10.985   7.361   5.824
  419    HA3  GLY  57           HA1      GLY  57  12.333   6.258   5.587
  420    H    VAL  58           HN       VAL  58   9.256   6.944   3.922
  421    HA   VAL  58           HA       VAL  58  10.824   7.533   1.534
  422    HB   VAL  58           HB       VAL  58   9.321   6.319   0.021
  423   HG11  VAL  58          HG11      VAL  58   9.946   4.005   0.553
  424   HG12  VAL  58          HG12      VAL  58  10.445   4.537   2.164
  425   HG13  VAL  58          HG13      VAL  58  11.287   5.135   0.738
  426   HG21  VAL  58          HG21      VAL  58   7.666   4.715   0.835
  427   HG22  VAL  58          HG22      VAL  58   7.267   6.357   1.330
  428   HG23  VAL  58          HG23      VAL  58   7.970   5.231   2.493
  429    H    SER  59           HN       SER  59   9.307   8.441  -0.238
  430    HA   SER  59           HA       SER  59   7.033   9.912   0.865
  431    HB2  SER  59           HB2      SER  59   9.288  11.157  -0.731
  432    HB3  SER  59           HB1      SER  59   7.780  11.968  -0.320
  433    HG   SER  59           HG       SER  59   9.623  10.882   1.529
  434    H    ILE  60           HN       ILE  60   5.341   9.586  -0.336
  435    HA   ILE  60           HA       ILE  60   5.594   9.159  -3.243
  436    HB   ILE  60           HB       ILE  60   3.902   7.578  -1.285
  437   HG12  ILE  60          HG12      ILE  60   5.994   6.635  -3.252
  438   HG13  ILE  60          HG11      ILE  60   6.262   6.847  -1.529
  439   HG21  ILE  60          HG21      ILE  60   3.836   7.451  -4.303
  440   HG22  ILE  60          HG22      ILE  60   2.557   8.071  -3.262
  441   HG23  ILE  60          HG23      ILE  60   2.981   6.360  -3.208
  442   HD11  ILE  60          HD11      ILE  60   4.579   5.147  -1.074
  443   HD12  ILE  60          HD12      ILE  60   5.887   4.528  -2.079
  444   HD13  ILE  60          HD13      ILE  60   4.329   4.942  -2.804
  445    HA   PRO  61           HA       PRO  61   2.447  12.380  -3.203
  446    HB2  PRO  61           HB2      PRO  61   1.941  11.393  -5.949
  447    HB3  PRO  61           HB1      PRO  61   2.374  13.019  -5.404
  448    HG2  PRO  61           HG2      PRO  61   4.134  11.485  -6.708
  449    HG3  PRO  61           HG1      PRO  61   4.630  12.567  -5.392
  450    HD2  PRO  61           HD2      PRO  61   4.224   9.605  -5.358
  451    HD3  PRO  61           HD1      PRO  61   5.484  10.587  -4.576
  452    H    ASP  62           HN       ASP  62   0.476  12.043  -2.397
  453    HA   ASP  62           HA       ASP  62  -0.757   9.515  -2.334
  454    HB2  ASP  62           HB2      ASP  62  -2.845  10.798  -1.507
  455    HB3  ASP  62           HB1      ASP  62  -1.396  10.825  -0.518
  456    H    ASP  63           HN       ASP  63  -1.135  12.112  -4.518
  457    HA   ASP  63           HA       ASP  63  -3.364  11.372  -5.998
  458    HB2  ASP  63           HB2      ASP  63  -2.035  13.394  -6.448
  459    HB3  ASP  63           HB1      ASP  63  -0.709  12.389  -7.026
  460    H    VAL  64           HN       VAL  64  -0.049  10.198  -6.210
  461    HA   VAL  64           HA       VAL  64  -0.617   8.355  -8.341
  462    HB   VAL  64           HB       VAL  64   1.931   8.620  -6.699
  463   HG11  VAL  64          HG11      VAL  64   3.047   7.540  -8.587
  464   HG12  VAL  64          HG12      VAL  64   1.497   7.365  -9.409
  465   HG13  VAL  64          HG13      VAL  64   1.797   6.497  -7.899
  466   HG21  VAL  64          HG21      VAL  64   1.388  10.725  -7.782
  467   HG22  VAL  64          HG22      VAL  64   1.222   9.900  -9.334
  468   HG23  VAL  64          HG23      VAL  64   2.795   9.981  -8.539
  469    H    ALA  65           HN       ALA  65  -0.771   8.284  -4.931
  470    HA   ALA  65           HA       ALA  65  -0.332   5.531  -4.560
  471    HB1  ALA  65           HB1      ALA  65  -0.147   7.153  -2.727
  472    HB2  ALA  65           HB2      ALA  65  -1.376   5.943  -2.363
  473    HB3  ALA  65           HB3      ALA  65  -1.855   7.554  -2.893
  474    H    GLY  66           HN       GLY  66  -3.083   7.600  -5.237
  475    HA2  GLY  66           HA2      GLY  66  -4.914   5.336  -5.352
  476    HA3  GLY  66           HA1      GLY  66  -5.330   7.024  -5.626
  477    H    ARG  67           HN       ARG  67  -2.603   5.635  -7.207
  478    HA   ARG  67           HA       ARG  67  -3.993   5.692  -9.788
  479    HB2  ARG  67           HB2      ARG  67  -2.245   7.342  -9.645
  480    HB3  ARG  67           HB1      ARG  67  -1.129   6.181  -8.968
  481    HG2  ARG  67           HG2      ARG  67  -0.513   6.686 -11.223
  482    HG3  ARG  67           HG1      ARG  67  -1.063   5.014 -11.117
  483    HD2  ARG  67           HD2      ARG  67  -1.938   6.040 -13.110
  484    HD3  ARG  67           HD1      ARG  67  -3.249   5.697 -11.986
  485    HE   ARG  67           HE       ARG  67  -2.479   8.307 -11.501
  486   HH11  ARG  67          HH11      ARG  67  -3.717   6.497 -14.263
  487   HH12  ARG  67          HH12      ARG  67  -4.627   7.770 -14.913
  488   HH21  ARG  67          HH21      ARG  67  -3.633  10.160 -12.425
  489   HH22  ARG  67          HH22      ARG  67  -4.517   9.938 -13.853
  490    H    VAL  68           HN       VAL  68  -2.709   3.647  -7.439
  491    HA   VAL  68           HA       VAL  68  -1.538   1.798  -9.292
  492    HB   VAL  68           HB       VAL  68  -0.950   0.385  -7.385
  493   HG11  VAL  68          HG11      VAL  68   0.594   1.933  -6.288
  494   HG12  VAL  68          HG12      VAL  68  -0.307   3.298  -6.955
  495   HG13  VAL  68          HG13      VAL  68   0.539   2.189  -8.032
  496   HG21  VAL  68          HG21      VAL  68  -2.882   0.778  -5.941
  497   HG22  VAL  68          HG22      VAL  68  -2.369   2.451  -5.695
  498   HG23  VAL  68          HG23      VAL  68  -1.375   1.125  -5.091
  499    H    ASP  69           HN       ASP  69  -2.038  -0.581  -8.973
  500    HA   ASP  69           HA       ASP  69  -4.959  -0.906  -9.389
  501    HB2  ASP  69           HB2      ASP  69  -3.343  -1.324 -11.361
  502    HB3  ASP  69           HB1      ASP  69  -2.733  -2.666 -10.443
  503    H    THR  70           HN       THR  70  -2.093  -2.783  -8.572
  504    HA   THR  70           HA       THR  70  -3.629  -4.351  -6.652
  505    HB   THR  70           HB       THR  70  -1.934  -6.109  -7.171
  506    HG1  THR  70           HG1      THR  70  -1.171  -4.792  -9.523
  507   HG21  THR  70          HG21      THR  70  -2.791  -6.661  -9.415
  508   HG22  THR  70          HG22      THR  70  -3.395  -5.005  -9.562
  509   HG23  THR  70          HG23      THR  70  -4.090  -6.093  -8.355
  510    HA   PRO  71           HA       PRO  71  -0.748  -3.147  -3.453
  511    HB2  PRO  71           HB2      PRO  71  -0.043  -6.020  -3.085
  512    HB3  PRO  71           HB1      PRO  71  -0.603  -4.839  -1.897
  513    HG2  PRO  71           HG2      PRO  71  -2.247  -6.713  -2.796
  514    HG3  PRO  71           HG1      PRO  71  -2.829  -5.057  -2.530
  515    HD2  PRO  71           HD2      PRO  71  -2.116  -6.433  -5.084
  516    HD3  PRO  71           HD1      PRO  71  -3.450  -5.302  -4.740
  517    H    ARG  72           HN       ARG  72   0.328  -5.294  -5.990
  518    HA   ARG  72           HA       ARG  72   3.108  -5.200  -5.370
  519    HB2  ARG  72           HB2      ARG  72   3.390  -6.638  -7.126
  520    HB3  ARG  72           HB1      ARG  72   1.663  -6.835  -6.955
  521    HG2  ARG  72           HG2      ARG  72   1.446  -5.037  -8.744
  522    HG3  ARG  72           HG1      ARG  72   3.176  -5.257  -9.003
  523    HD2  ARG  72           HD2      ARG  72   2.282  -6.711 -10.557
  524    HD3  ARG  72           HD1      ARG  72   2.540  -7.789  -9.184
  525    HE   ARG  72           HE       ARG  72  -0.028  -6.471  -9.599
  526   HH11  ARG  72          HH11      ARG  72   1.719  -9.555  -9.046
  527   HH12  ARG  72          HH12      ARG  72   0.363 -10.517  -9.275
  528   HH21  ARG  72          HH21      ARG  72  -1.873  -7.839 -10.008
  529   HH22  ARG  72          HH22      ARG  72  -1.757  -9.527  -9.926
  530    H    GLU  73           HN       GLU  73   0.920  -3.182  -7.135
  531    HA   GLU  73           HA       GLU  73   2.857  -1.575  -8.520
  532    HB2  GLU  73           HB2      GLU  73   0.031  -0.879  -7.699
  533    HB3  GLU  73           HB1      GLU  73   0.995  -0.063  -8.917
  534    HG2  GLU  73           HG2      GLU  73  -0.003  -2.892  -9.071
  535    HG3  GLU  73           HG1      GLU  73  -0.731  -1.497  -9.859
  536    H    LEU  74           HN       LEU  74   1.070  -1.424  -5.524
  537    HA   LEU  74           HA       LEU  74   1.793   1.159  -4.628
  538    HB2  LEU  74           HB2      LEU  74  -0.040  -0.511  -3.798
  539    HB3  LEU  74           HB1      LEU  74   1.303  -1.209  -2.899
  540    HG   LEU  74           HG       LEU  74  -0.238   0.311  -1.568
  541   HD11  LEU  74          HD11      LEU  74   2.663   1.090  -1.639
  542   HD12  LEU  74          HD12      LEU  74   1.946  -0.222  -0.707
  543   HD13  LEU  74          HD13      LEU  74   1.521   1.452  -0.343
  544   HD21  LEU  74          HD21      LEU  74   0.075   2.727  -1.799
  545   HD22  LEU  74          HD22      LEU  74  -0.613   2.014  -3.259
  546   HD23  LEU  74          HD23      LEU  74   1.094   2.455  -3.212
  547    H    LEU  75           HN       LEU  75   3.022  -2.071  -3.944
  548    HA   LEU  75           HA       LEU  75   5.078  -1.419  -2.203
  549    HB2  LEU  75           HB2      LEU  75   4.035  -3.600  -2.571
  550    HB3  LEU  75           HB1      LEU  75   4.791  -3.673  -4.149
  551    HG   LEU  75           HG       LEU  75   6.954  -3.515  -2.994
  552   HD11  LEU  75          HD11      LEU  75   7.018  -4.219  -0.616
  553   HD12  LEU  75          HD12      LEU  75   5.260  -4.146  -0.577
  554   HD13  LEU  75          HD13      LEU  75   6.195  -2.676  -0.836
  555   HD21  LEU  75          HD21      LEU  75   6.097  -5.493  -3.968
  556   HD22  LEU  75          HD22      LEU  75   5.158  -5.853  -2.526
  557   HD23  LEU  75          HD23      LEU  75   6.943  -5.925  -2.472
  558    H    ASP  76           HN       ASP  76   4.905  -1.521  -5.700
  559    HA   ASP  76           HA       ASP  76   7.653  -1.367  -6.338
  560    HB2  ASP  76           HB2      ASP  76   6.019  -1.955  -8.048
  561    HB3  ASP  76           HB1      ASP  76   5.222  -0.397  -7.860
  562    H    LEU  77           HN       LEU  77   5.182   1.052  -5.800
  563    HA   LEU  77           HA       LEU  77   6.746   3.349  -6.229
  564    HB2  LEU  77           HB2      LEU  77   4.430   2.906  -4.366
  565    HB3  LEU  77           HB1      LEU  77   5.137   4.462  -4.706
  566    HG   LEU  77           HG       LEU  77   3.710   2.665  -6.636
  567   HD11  LEU  77          HD11      LEU  77   2.024   4.492  -6.613
  568   HD12  LEU  77          HD12      LEU  77   2.964   5.297  -5.353
  569   HD13  LEU  77          HD13      LEU  77   2.227   3.729  -5.036
  570   HD21  LEU  77          HD21      LEU  77   5.470   3.909  -7.770
  571   HD22  LEU  77          HD22      LEU  77   4.895   5.411  -7.047
  572   HD23  LEU  77          HD23      LEU  77   3.890   4.558  -8.214
  573    H    ILE  78           HN       ILE  78   6.025   1.507  -3.325
  574    HA   ILE  78           HA       ILE  78   7.392   3.042  -1.442
  575    HB   ILE  78           HB       ILE  78   6.998   0.038  -1.439
  576   HG12  ILE  78          HG12      ILE  78   4.865   1.318  -1.573
  577   HG13  ILE  78          HG11      ILE  78   5.035   0.443  -0.059
  578   HG21  ILE  78          HG21      ILE  78   7.669   1.902   0.832
  579   HG22  ILE  78          HG22      ILE  78   8.729   0.683   0.127
  580   HG23  ILE  78          HG23      ILE  78   7.275   0.190   0.993
  581   HD11  ILE  78          HD11      ILE  78   4.089   2.646   0.284
  582   HD12  ILE  78          HD12      ILE  78   5.511   3.392  -0.445
  583   HD13  ILE  78          HD13      ILE  78   5.658   2.511   1.076
  584    H    ASN  79           HN       ASN  79   8.520  -0.045  -2.856
  585    HA   ASN  79           HA       ASN  79  11.108   0.222  -1.809
  586    HB2  ASN  79           HB2      ASN  79  10.089  -1.592  -3.991
  587    HB3  ASN  79           HB1      ASN  79  11.744  -1.656  -3.392
  588   HD21  ASN  79          HD21      ASN  79   9.920  -3.783  -3.279
  589   HD22  ASN  79          HD22      ASN  79   9.578  -4.133  -1.622
  590    H    GLY  80           HN       GLY  80   9.811   1.255  -4.875
  591    HA2  GLY  80           HA2      GLY  80  12.258   1.858  -6.120
  592    HA3  GLY  80           HA1      GLY  80  10.703   2.601  -6.492
  593    H    ALA  81           HN       ALA  81  10.119   3.729  -4.020
  594    HA   ALA  81           HA       ALA  81  11.675   6.132  -4.114
  595    HB1  ALA  81           HB1      ALA  81   9.542   5.259  -2.172
  596    HB2  ALA  81           HB2      ALA  81   9.278   6.159  -3.668
  597    HB3  ALA  81           HB3      ALA  81  10.179   6.894  -2.342
  598    H    LEU  82           HN       LEU  82  11.621   3.267  -2.127
  599    HA   LEU  82           HA       LEU  82  13.046   4.260   0.064
  600    HB2  LEU  82           HB2      LEU  82  11.669   2.238   0.119
  601    HB3  LEU  82           HB1      LEU  82  12.746   1.474  -1.032
  602    HG   LEU  82           HG       LEU  82  14.525   1.577   0.563
  603   HD11  LEU  82          HD11      LEU  82  12.405   2.559   2.500
  604   HD12  LEU  82          HD12      LEU  82  13.792   3.481   1.919
  605   HD13  LEU  82          HD13      LEU  82  14.046   2.080   2.958
  606   HD21  LEU  82          HD21      LEU  82  13.680  -0.191   2.071
  607   HD22  LEU  82          HD22      LEU  82  13.225  -0.438   0.383
  608   HD23  LEU  82          HD23      LEU  82  12.041   0.178   1.532
  609    H    ALA  83           HN       ALA  83  13.951   2.881  -3.015
  610    HA   ALA  83           HA       ALA  83  16.708   2.571  -2.434
  611    HB1  ALA  83           HB1      ALA  83  15.379   2.922  -5.139
  612    HB2  ALA  83           HB2      ALA  83  15.667   1.393  -4.306
  613    HB3  ALA  83           HB3      ALA  83  17.028   2.366  -4.848
  614    H    GLU  84           HN       GLU  84  14.743   5.332  -3.455
  615    HA   GLU  84           HA       GLU  84  16.862   7.032  -4.180
  616    HB2  GLU  84           HB2      GLU  84  14.136   7.706  -3.086
  617    HB3  GLU  84           HB1      GLU  84  15.233   8.783  -3.924
  618    HG2  GLU  84           HG2      GLU  84  14.980   7.421  -5.960
  619    HG3  GLU  84           HG1      GLU  84  13.824   6.404  -5.089
  620    H    ALA  85           HN       ALA  85  15.240   6.160  -1.221
  621    HA   ALA  85           HA       ALA  85  16.274   8.222   0.419
  622    HB1  ALA  85           HB1      ALA  85  15.474   6.894   2.304
  623    HB2  ALA  85           HB2      ALA  85  15.286   5.493   1.248
  624    HB3  ALA  85           HB3      ALA  85  14.272   6.919   1.012
  625    H    ALA  86           HN       ALA  86  17.414   5.058  -0.473
  626    HA   ALA  86           HA       ALA  86  19.420   4.085  -0.475
  627    HB1  ALA  86           HB1      ALA  86  21.468   5.368  -0.257
  628    HB2  ALA  86           HB2      ALA  86  20.577   6.707   0.461
  629    HB3  ALA  86           HB3      ALA  86  20.296   6.270  -1.227
  630   H28A  SDO 101          H28A      SDO  42 -10.591  11.546  -2.109
  631   H28B  SDO 101          H28B      SDO  42 -12.130  12.000  -1.368
  632   H30A  SDO 101          H30A      SDO  42 -10.739  14.151   1.250
  633   H30B  SDO 101          H30B      SDO  42 -11.230  12.461   1.415
  634   H30C  SDO 101          H30C      SDO  42 -12.213  13.581   0.475
  635   H31A  SDO 101          H31A      SDO  42  -8.423  12.329  -0.995
  636   H31B  SDO 101          H31B      SDO  42  -8.989  11.791   0.586
  637   H31C  SDO 101          H31C      SDO  42  -8.515  13.472   0.345
  638   H32A  SDO 101          H32A      SDO  42  -9.934  13.907  -2.428
  639   H33A  SDO 101          H33A      SDO  42  -8.664  15.201  -1.399
  640   H36A  SDO 101          H36A      SDO  42 -10.851  16.538  -1.698
  641   H37A  SDO 101          H37A      SDO  42 -12.823  17.357  -3.108
  642   H37B  SDO 101          H37B      SDO  42 -13.794  16.384  -1.990
  643   H38A  SDO 101          H38A      SDO  42 -12.020  18.725  -1.215
  644   H38B  SDO 101          H38B      SDO  42 -13.749  18.816  -1.439
  645   H41A  SDO 101          H41A      SDO  42 -13.567  15.900  -0.193
  646   H42A  SDO 101          H42A      SDO  42 -12.783  15.541   2.248
  647   H42B  SDO 101          H42B      SDO  42 -14.083  16.704   2.550
  648   H43A  SDO 101          H43A      SDO  42 -14.296  14.049   1.157
  649   H43B  SDO 101          H43B      SDO  42 -15.610  15.181   1.389
  650    H1A  SDO 101           H1A      SDO  42 -15.226  14.912   5.570
  651    H1B  SDO 101           H1B      SDO  42 -13.921  13.776   5.356
  652    H2A  SDO 101           H2A      SDO  42 -13.958  16.597   4.341
  653    H2B  SDO 101           H2B      SDO  42 -12.631  15.471   4.192
  654    H4A  SDO 101           H4A      SDO  42 -13.370  16.658   8.230
  655    H4B  SDO 101           H4B      SDO  42 -12.077  15.500   8.049
  656    H5A  SDO 101           H5A      SDO  42 -13.657  13.797   7.304
  657    H5B  SDO 101           H5B      SDO  42 -14.980  14.938   7.548
  658    H6A  SDO 101           H6A      SDO  42 -14.432  15.098   9.915
  659    H6B  SDO 101           H6B      SDO  42 -13.103  13.956   9.694
  660    H8A  SDO 101           H8A      SDO  42 -16.839  12.672   8.517
  661    H8B  SDO 101           H8B      SDO  42 -15.645  11.365   8.464
  662    H8C  SDO 101           H8C      SDO  42 -15.387  12.843   7.525
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  22.941  -8.415   2.137
    2    H2   MET   1           HT2      MET   1  22.913  -6.798   2.629
    3    H3   MET   1           HT3      MET   1  22.064  -7.260   1.239
    4    HA   MET   1           HA       MET   1  20.527  -8.474   2.498
    5    HB2  MET   1           HB2      MET   1  22.038  -9.219   4.293
    6    HB3  MET   1           HB1      MET   1  22.211  -7.571   4.856
    7    HG2  MET   1           HG2      MET   1  19.548  -8.958   4.845
    8    HG3  MET   1           HG1      MET   1  20.690  -9.158   6.163
    9    HE1  MET   1           HE1      MET   1  18.776  -8.361   7.793
   10    HE2  MET   1           HE2      MET   1  17.652  -8.041   6.467
   11    HE3  MET   1           HE3      MET   1  17.950  -6.805   7.691
   12    H    ALA   2           HN       ALA   2  18.811  -7.286   2.228
   13    HA   ALA   2           HA       ALA   2  18.945  -4.472   3.053
   14    HB1  ALA   2           HB1      ALA   2  17.587  -5.584   0.596
   15    HB2  ALA   2           HB2      ALA   2  19.087  -4.662   0.626
   16    HB3  ALA   2           HB3      ALA   2  17.575  -3.897   1.111
   17    H    THR   3           HN       THR   3  17.248  -3.709   4.109
   18    HA   THR   3           HA       THR   3  15.169  -5.565   4.905
   19    HB   THR   3           HB       THR   3  15.504  -2.661   5.746
   20    HG1  THR   3           HG1      THR   3  17.434  -3.753   6.198
   21   HG21  THR   3          HG21      THR   3  14.227  -5.056   7.105
   22   HG22  THR   3          HG22      THR   3  13.363  -3.711   6.355
   23   HG23  THR   3          HG23      THR   3  14.343  -3.437   7.795
   24    H    LEU   4           HN       LEU   4  14.471  -5.584   2.607
   25    HA   LEU   4           HA       LEU   4  13.001  -3.202   1.781
   26    HB2  LEU   4           HB2      LEU   4  14.771  -4.369   0.293
   27    HB3  LEU   4           HB1      LEU   4  13.571  -5.640   0.103
   28    HG   LEU   4           HG       LEU   4  12.048  -3.977  -0.864
   29   HD11  LEU   4          HD11      LEU   4  12.956  -1.796  -1.537
   30   HD12  LEU   4          HD12      LEU   4  14.463  -2.168  -0.698
   31   HD13  LEU   4          HD13      LEU   4  12.964  -1.985   0.216
   32   HD21  LEU   4          HD21      LEU   4  13.258  -3.754  -3.000
   33   HD22  LEU   4          HD22      LEU   4  13.423  -5.364  -2.302
   34   HD23  LEU   4          HD23      LEU   4  14.751  -4.210  -2.177
   35    H    LEU   5           HN       LEU   5  10.783  -3.568   1.011
   36    HA   LEU   5           HA       LEU   5   9.466  -5.399   2.786
   37    HB2  LEU   5           HB2      LEU   5   8.379  -3.457   0.774
   38    HB3  LEU   5           HB1      LEU   5   7.389  -4.351   1.895
   39    HG   LEU   5           HG       LEU   5   9.383  -2.193   2.521
   40   HD11  LEU   5          HD11      LEU   5   7.416  -1.048   3.413
   41   HD12  LEU   5          HD12      LEU   5   6.409  -2.404   2.890
   42   HD13  LEU   5          HD13      LEU   5   7.251  -1.417   1.695
   43   HD21  LEU   5          HD21      LEU   5   7.790  -3.885   4.439
   44   HD22  LEU   5          HD22      LEU   5   8.792  -2.496   4.864
   45   HD23  LEU   5          HD23      LEU   5   9.537  -3.960   4.215
   46    H    THR   6           HN       THR   6   8.995  -7.397   2.288
   47    HA   THR   6           HA       THR   6   8.879  -8.167  -0.490
   48    HB   THR   6           HB       THR   6   8.691 -10.489   0.375
   49    HG1  THR   6           HG1      THR   6   8.904  -9.254   2.956
   50   HG21  THR   6          HG21      THR   6  10.946  -8.883   1.598
   51   HG22  THR   6          HG22      THR   6  10.915  -9.584  -0.028
   52   HG23  THR   6          HG23      THR   6  10.944 -10.634   1.382
   53    H    THR   7           HN       THR   7   6.972 -10.146  -0.575
   54    HA   THR   7           HA       THR   7   4.589  -8.700  -0.724
   55    HB   THR   7           HB       THR   7   5.030 -11.703  -0.753
   56    HG1  THR   7           HG1      THR   7   5.109 -11.251  -3.101
   57   HG21  THR   7          HG21      THR   7   2.869  -9.992  -2.018
   58   HG22  THR   7          HG22      THR   7   2.658 -11.016  -0.601
   59   HG23  THR   7          HG23      THR   7   3.019 -11.741  -2.165
   60    H    ASP   8           HN       ASP   8   5.980 -10.866   1.698
   61    HA   ASP   8           HA       ASP   8   3.623 -11.126   3.269
   62    HB2  ASP   8           HB2      ASP   8   5.472 -12.735   3.436
   63    HB3  ASP   8           HB1      ASP   8   6.518 -11.478   4.080
   64    H    ASP   9           HN       ASP   9   6.380  -8.949   3.304
   65    HA   ASP   9           HA       ASP   9   5.804  -7.552   5.699
   66    HB2  ASP   9           HB2      ASP   9   7.205  -6.540   3.211
   67    HB3  ASP   9           HB1      ASP   9   7.092  -5.654   4.727
   68    H    LEU  10           HN       LEU  10   4.979  -6.931   2.347
   69    HA   LEU  10           HA       LEU  10   3.527  -4.575   2.666
   70    HB2  LEU  10           HB2      LEU  10   4.257  -5.499   0.508
   71    HB3  LEU  10           HB1      LEU  10   3.084  -6.791   0.679
   72    HG   LEU  10           HG       LEU  10   1.283  -5.072   0.684
   73   HD11  LEU  10          HD11      LEU  10   1.777  -2.845  -0.190
   74   HD12  LEU  10          HD12      LEU  10   3.500  -3.217  -0.155
   75   HD13  LEU  10          HD13      LEU  10   2.590  -3.140   1.351
   76   HD21  LEU  10          HD21      LEU  10   3.046  -5.184  -1.753
   77   HD22  LEU  10          HD22      LEU  10   1.341  -4.733  -1.735
   78   HD23  LEU  10          HD23      LEU  10   1.828  -6.375  -1.293
   79    H    ARG  11           HN       ARG  11   2.473  -7.960   2.765
   80    HA   ARG  11           HA       ARG  11  -0.274  -7.538   3.034
   81    HB2  ARG  11           HB2      ARG  11   0.631  -9.772   2.619
   82    HB3  ARG  11           HB1      ARG  11   1.408  -9.747   4.192
   83    HG2  ARG  11           HG2      ARG  11  -0.701  -9.801   5.325
   84    HG3  ARG  11           HG1      ARG  11  -1.575  -9.610   3.799
   85    HD2  ARG  11           HD2      ARG  11  -1.607 -11.906   4.609
   86    HD3  ARG  11           HD1      ARG  11  -0.779 -11.760   3.060
   87    HE   ARG  11           HE       ARG  11   1.199 -11.612   4.948
   88   HH11  ARG  11          HH11      ARG  11  -1.421 -13.863   4.412
   89   HH12  ARG  11          HH12      ARG  11  -0.498 -15.278   4.620
   90   HH21  ARG  11          HH21      ARG  11   2.537 -13.528   5.392
   91   HH22  ARG  11          HH22      ARG  11   1.803 -15.058   5.302
   92    H    ARG  12           HN       ARG  12   2.193  -7.774   5.554
   93    HA   ARG  12           HA       ARG  12   0.359  -7.564   7.688
   94    HB2  ARG  12           HB2      ARG  12   3.243  -6.691   7.701
   95    HB3  ARG  12           HB1      ARG  12   2.252  -7.055   9.109
   96    HG2  ARG  12           HG2      ARG  12   2.097  -9.391   8.353
   97    HG3  ARG  12           HG1      ARG  12   3.151  -8.988   6.991
   98    HD2  ARG  12           HD2      ARG  12   3.802  -8.970   9.929
   99    HD3  ARG  12           HD1      ARG  12   4.549  -9.938   8.656
  100    HE   ARG  12           HE       ARG  12   4.935  -7.079   9.154
  101   HH11  ARG  12          HH11      ARG  12   5.920  -9.987   7.238
  102   HH12  ARG  12          HH12      ARG  12   7.385  -9.283   6.777
  103   HH21  ARG  12          HH21      ARG  12   7.004  -6.164   8.392
  104   HH22  ARG  12          HH22      ARG  12   7.934  -7.115   7.332
  105    H    ALA  13           HN       ALA  13   2.008  -5.139   5.743
  106    HA   ALA  13           HA       ALA  13   1.322  -2.894   7.308
  107    HB1  ALA  13           HB1      ALA  13   1.711  -1.564   5.276
  108    HB2  ALA  13           HB2      ALA  13   1.801  -3.046   4.329
  109    HB3  ALA  13           HB3      ALA  13   3.030  -2.710   5.561
  110    H    LEU  14           HN       LEU  14  -0.307  -4.472   4.530
  111    HA   LEU  14           HA       LEU  14  -2.453  -2.718   4.432
  112    HB2  LEU  14           HB2      LEU  14  -1.796  -5.389   3.342
  113    HB3  LEU  14           HB1      LEU  14  -3.466  -4.935   3.362
  114    HG   LEU  14           HG       LEU  14  -2.448  -4.472   1.191
  115   HD11  LEU  14          HD11      LEU  14  -4.280  -3.074   1.857
  116   HD12  LEU  14          HD12      LEU  14  -3.099  -2.124   0.948
  117   HD13  LEU  14          HD13      LEU  14  -3.176  -1.982   2.702
  118   HD21  LEU  14          HD21      LEU  14  -0.780  -2.670   0.934
  119   HD22  LEU  14          HD22      LEU  14  -0.155  -4.045   1.851
  120   HD23  LEU  14          HD23      LEU  14  -0.645  -2.575   2.693
  121    H    VAL  15           HN       VAL  15  -1.775  -5.389   6.484
  122    HA   VAL  15           HA       VAL  15  -4.454  -5.711   7.472
  123    HB   VAL  15           HB       VAL  15  -1.792  -6.439   8.777
  124   HG11  VAL  15          HG11      VAL  15  -4.590  -7.290   9.507
  125   HG12  VAL  15          HG12      VAL  15  -3.548  -6.228  10.459
  126   HG13  VAL  15          HG13      VAL  15  -3.117  -7.924  10.228
  127   HG21  VAL  15          HG21      VAL  15  -2.320  -8.735   8.081
  128   HG22  VAL  15          HG22      VAL  15  -2.171  -7.647   6.704
  129   HG23  VAL  15          HG23      VAL  15  -3.767  -8.145   7.261
  130    H    GLU  16           HN       GLU  16  -1.516  -4.161   8.729
  131    HA   GLU  16           HA       GLU  16  -2.554  -2.938  10.967
  132    HB2  GLU  16           HB2      GLU  16  -0.364  -1.974   9.170
  133    HB3  GLU  16           HB1      GLU  16  -0.672  -1.400  10.802
  134    HG2  GLU  16           HG2      GLU  16  -0.307  -3.742  11.593
  135    HG3  GLU  16           HG1      GLU  16   0.179  -4.135   9.951
  136    H    SER  17           HN       SER  17  -2.471  -1.646   7.620
  137    HA   SER  17           HA       SER  17  -3.294   0.925   8.297
  138    HB2  SER  17           HB2      SER  17  -3.984   0.985   5.825
  139    HB3  SER  17           HB1      SER  17  -2.289   0.648   6.179
  140    HG   SER  17           HG       SER  17  -4.312  -1.054   5.235
  141    H    ALA  18           HN       ALA  18  -5.128  -1.963   7.486
  142    HA   ALA  18           HA       ALA  18  -7.660  -0.642   7.580
  143    HB1  ALA  18           HB1      ALA  18  -7.380  -2.685   6.261
  144    HB2  ALA  18           HB2      ALA  18  -8.591  -2.936   7.515
  145    HB3  ALA  18           HB3      ALA  18  -6.960  -3.582   7.715
  146    H    GLY  19           HN       GLY  19  -5.918  -2.865   9.706
  147    HA2  GLY  19           HA2      GLY  19  -5.880  -3.069  11.971
  148    HA3  GLY  19           HA1      GLY  19  -6.745  -1.538  12.078
  149    H    GLU  20           HN       GLU  20  -8.758  -1.594  12.756
  150    HA   GLU  20           HA       GLU  20 -10.099  -4.163  12.616
  151    HB2  GLU  20           HB2      GLU  20 -11.412  -3.441  14.626
  152    HB3  GLU  20           HB1      GLU  20  -9.716  -3.759  14.938
  153    HG2  GLU  20           HG2      GLU  20  -9.259  -1.402  15.023
  154    HG3  GLU  20           HG1      GLU  20 -10.921  -1.029  14.554
  155    H    THR  21           HN       THR  21 -11.398  -4.095  11.053
  156    HA   THR  21           HA       THR  21 -13.555  -2.348  10.944
  157    HB   THR  21           HB       THR  21 -11.802  -0.807  10.057
  158    HG1  THR  21           HG1      THR  21 -12.903  -0.384   7.969
  159   HG21  THR  21          HG21      THR  21 -11.468  -2.866   7.858
  160   HG22  THR  21          HG22      THR  21 -10.249  -2.389   9.041
  161   HG23  THR  21          HG23      THR  21 -10.785  -1.241   7.816
  162    H    ASP  22           HN       ASP  22 -13.967  -2.804   8.105
  163    HA   ASP  22           HA       ASP  22 -14.641  -5.616   8.238
  164    HB2  ASP  22           HB2      ASP  22 -16.261  -4.044   7.302
  165    HB3  ASP  22           HB1      ASP  22 -15.097  -3.604   6.054
  166    H    GLY  23           HN       GLY  23 -12.825  -6.750   8.122
  167    HA2  GLY  23           HA2      GLY  23 -10.978  -6.157   5.971
  168    HA3  GLY  23           HA1      GLY  23 -10.624  -7.184   7.357
  169    H    THR  24           HN       THR  24 -10.724  -7.370   4.244
  170    HA   THR  24           HA       THR  24 -12.370  -9.685   3.827
  171    HB   THR  24           HB       THR  24 -11.202  -9.506   1.531
  172    HG1  THR  24           HG1      THR  24  -9.520  -8.311   1.619
  173   HG21  THR  24          HG21      THR  24 -12.530  -7.586   0.862
  174   HG22  THR  24          HG22      THR  24 -12.655  -7.048   2.528
  175   HG23  THR  24          HG23      THR  24 -13.460  -8.535   2.018
  176    H    ASP  25           HN       ASP  25 -10.707 -11.199   2.127
  177    HA   ASP  25           HA       ASP  25  -8.759 -12.248   4.014
  178    HB2  ASP  25           HB2      ASP  25 -10.282 -13.888   2.897
  179    HB3  ASP  25           HB1      ASP  25  -9.631 -13.399   1.337
  180    H    LEU  26           HN       LEU  26  -6.604 -12.270   3.579
  181    HA   LEU  26           HA       LEU  26  -5.718 -10.783   1.206
  182    HB2  LEU  26           HB2      LEU  26  -6.026  -9.505   3.478
  183    HB3  LEU  26           HB1      LEU  26  -4.567 -10.343   3.947
  184    HG   LEU  26           HG       LEU  26  -3.425  -9.280   1.983
  185   HD11  LEU  26          HD11      LEU  26  -4.526  -7.339   0.955
  186   HD12  LEU  26          HD12      LEU  26  -5.991  -7.697   1.878
  187   HD13  LEU  26          HD13      LEU  26  -5.431  -8.830   0.654
  188   HD21  LEU  26          HD21      LEU  26  -4.671  -7.447   4.026
  189   HD22  LEU  26          HD22      LEU  26  -3.234  -7.092   3.070
  190   HD23  LEU  26          HD23      LEU  26  -3.209  -8.401   4.256
  191    H    SER  27           HN       SER  27  -5.819 -13.636   2.161
  192    HA   SER  27           HA       SER  27  -3.140 -14.254   3.022
  193    HB2  SER  27           HB2      SER  27  -5.072 -15.390   4.035
  194    HB3  SER  27           HB1      SER  27  -5.518 -16.031   2.457
  195    HG   SER  27           HG       SER  27  -3.538 -16.779   4.222
  196    H    GLY  28           HN       GLY  28  -1.576 -14.998   1.783
  197    HA2  GLY  28           HA2      GLY  28  -0.442 -15.925   0.039
  198    HA3  GLY  28           HA1      GLY  28  -1.965 -16.609  -0.490
  199    H    ASP  29           HN       ASP  29  -2.823 -15.857  -2.268
  200    HA   ASP  29           HA       ASP  29  -1.341 -13.829  -3.657
  201    HB2  ASP  29           HB2      ASP  29  -3.410 -15.789  -4.591
  202    HB3  ASP  29           HB1      ASP  29  -2.885 -14.448  -5.605
  203    H    PHE  30           HN       PHE  30  -1.988 -12.215  -2.262
  204    HA   PHE  30           HA       PHE  30  -4.593 -10.983  -2.960
  205    HB2  PHE  30           HB2      PHE  30  -4.337  -9.594  -1.014
  206    HB3  PHE  30           HB1      PHE  30  -3.900 -11.215  -0.501
  207    HD1  PHE  30           HD2      PHE  30  -1.415 -11.797  -0.373
  208    HD2  PHE  30           HD1      PHE  30  -2.837  -7.809  -0.755
  209    HE1  PHE  30           HE2      PHE  30   0.729 -10.962   0.502
  210    HE2  PHE  30           HE1      PHE  30  -0.684  -6.967   0.118
  211    HZ   PHE  30           HZ       PHE  30   1.121  -8.466   0.573
  212    H    LEU  31           HN       LEU  31  -1.476 -11.092  -3.921
  213    HA   LEU  31           HA       LEU  31  -0.692  -8.366  -3.949
  214    HB2  LEU  31           HB2      LEU  31   0.794 -10.430  -3.881
  215    HB3  LEU  31           HB1      LEU  31   0.471 -10.610  -5.590
  216    HG   LEU  31           HG       LEU  31   1.456  -8.343  -5.943
  217   HD11  LEU  31          HD11      LEU  31   2.193  -8.636  -3.041
  218   HD12  LEU  31          HD12      LEU  31   1.111  -7.432  -3.742
  219   HD13  LEU  31          HD13      LEU  31   2.830  -7.407  -4.140
  220   HD21  LEU  31          HD21      LEU  31   3.777  -9.076  -5.668
  221   HD22  LEU  31          HD22      LEU  31   2.783 -10.379  -6.319
  222   HD23  LEU  31          HD23      LEU  31   3.245 -10.382  -4.614
  223    H    ASP  32           HN       ASP  32  -2.303 -10.466  -6.160
  224    HA   ASP  32           HA       ASP  32  -2.301  -8.434  -8.286
  225    HB2  ASP  32           HB2      ASP  32  -1.530 -10.733  -8.852
  226    HB3  ASP  32           HB1      ASP  32  -3.091 -11.362  -8.362
  227    H    LEU  33           HN       LEU  33  -4.007  -8.882  -5.685
  228    HA   LEU  33           HA       LEU  33  -6.682  -8.925  -6.820
  229    HB2  LEU  33           HB2      LEU  33  -6.109 -10.109  -4.658
  230    HB3  LEU  33           HB1      LEU  33  -5.806  -8.545  -3.939
  231    HG   LEU  33           HG       LEU  33  -8.171  -7.941  -4.229
  232   HD11  LEU  33          HD11      LEU  33  -8.670  -9.297  -6.194
  233   HD12  LEU  33          HD12      LEU  33  -9.791  -9.653  -4.878
  234   HD13  LEU  33          HD13      LEU  33  -8.471 -10.766  -5.240
  235   HD21  LEU  33          HD21      LEU  33  -7.438  -8.952  -2.148
  236   HD22  LEU  33          HD22      LEU  33  -7.715 -10.563  -2.811
  237   HD23  LEU  33          HD23      LEU  33  -9.073  -9.473  -2.543
  238    H    ARG  34           HN       ARG  34  -8.161  -6.990  -5.859
  239    HA   ARG  34           HA       ARG  34  -6.586  -4.609  -6.536
  240    HB2  ARG  34           HB2      ARG  34  -9.547  -5.021  -6.992
  241    HB3  ARG  34           HB1      ARG  34  -8.538  -3.727  -7.635
  242    HG2  ARG  34           HG2      ARG  34  -7.311  -5.318  -8.993
  243    HG3  ARG  34           HG1      ARG  34  -8.243  -6.642  -8.293
  244    HD2  ARG  34           HD2      ARG  34  -9.203  -6.227 -10.393
  245    HD3  ARG  34           HD1      ARG  34 -10.289  -5.521  -9.205
  246    HE   ARG  34           HE       ARG  34  -8.398  -3.645 -10.192
  247   HH11  ARG  34          HH11      ARG  34 -11.474  -5.223 -10.861
  248   HH12  ARG  34          HH12      ARG  34 -12.013  -4.097 -12.015
  249   HH21  ARG  34          HH21      ARG  34  -9.124  -2.058 -11.861
  250   HH22  ARG  34          HH22      ARG  34 -10.638  -2.292 -12.617
  251    H    PHE  35           HN       PHE  35  -6.996  -2.717  -5.425
  252    HA   PHE  35           HA       PHE  35  -7.513  -2.921  -2.685
  253    HB2  PHE  35           HB2      PHE  35  -7.332  -0.520  -4.474
  254    HB3  PHE  35           HB1      PHE  35  -7.748  -0.347  -2.778
  255    HD1  PHE  35           HD2      PHE  35  -6.117  -0.979  -1.044
  256    HD2  PHE  35           HD1      PHE  35  -5.085  -0.984  -5.164
  257    HE1  PHE  35           HE2      PHE  35  -3.739  -0.986  -0.441
  258    HE2  PHE  35           HE1      PHE  35  -2.698  -0.991  -4.568
  259    HZ   PHE  35           HZ       PHE  35  -2.023  -0.992  -2.201
  260    H    GLU  36           HN       GLU  36  -9.737  -2.300  -5.240
  261    HA   GLU  36           HA       GLU  36 -11.859  -1.305  -3.667
  262    HB2  GLU  36           HB2      GLU  36 -13.316  -2.010  -5.557
  263    HB3  GLU  36           HB1      GLU  36 -11.934  -1.048  -6.064
  264    HG2  GLU  36           HG2      GLU  36 -10.795  -2.991  -6.860
  265    HG3  GLU  36           HG1      GLU  36 -12.033  -4.049  -6.194
  266    H    ASP  37           HN       ASP  37 -10.750  -4.539  -4.412
  267    HA   ASP  37           HA       ASP  37 -13.090  -5.878  -3.432
  268    HB2  ASP  37           HB2      ASP  37 -10.322  -6.986  -3.956
  269    HB3  ASP  37           HB1      ASP  37 -11.773  -7.940  -3.652
  270    H    ILE  38           HN       ILE  38 -10.108  -4.761  -2.118
  271    HA   ILE  38           HA       ILE  38 -10.642  -6.223   0.329
  272    HB   ILE  38           HB       ILE  38  -8.409  -5.453   1.133
  273   HG12  ILE  38          HG12      ILE  38  -8.126  -4.338  -1.678
  274   HG13  ILE  38          HG11      ILE  38  -8.235  -3.382  -0.210
  275   HG21  ILE  38          HG21      ILE  38  -7.108  -6.888  -0.379
  276   HG22  ILE  38          HG22      ILE  38  -8.450  -6.887  -1.512
  277   HG23  ILE  38          HG23      ILE  38  -8.645  -7.610   0.095
  278   HD11  ILE  38          HD11      ILE  38  -6.102  -4.344   0.548
  279   HD12  ILE  38          HD12      ILE  38  -5.946  -3.521  -1.005
  280   HD13  ILE  38          HD13      ILE  38  -6.011  -5.283  -0.942
  281    H    GLY  39           HN       GLY  39 -11.990  -3.707  -0.728
  282    HA2  GLY  39           HA2      GLY  39 -13.304  -2.166   0.322
  283    HA3  GLY  39           HA1      GLY  39 -12.762  -2.825   1.851
  284    H    TYR  40           HN       TYR  40 -10.660  -1.371  -0.579
  285    HA   TYR  40           HA       TYR  40 -10.056   0.654   1.422
  286    HB2  TYR  40           HB2      TYR  40  -8.388  -0.610  -0.693
  287    HB3  TYR  40           HB1      TYR  40  -8.000   1.034  -0.194
  288    HD1  TYR  40           HD2      TYR  40  -8.560  -2.383   1.178
  289    HD2  TYR  40           HD1      TYR  40  -6.756   1.419   1.703
  290    HE1  TYR  40           HE2      TYR  40  -7.402  -3.223   3.161
  291    HE2  TYR  40           HE1      TYR  40  -5.592   0.602   3.700
  292    HH   TYR  40           HH       TYR  40  -5.482  -2.707   4.591
  293    H    ASP  41           HN       ASP  41 -10.707   2.556   1.242
  294    HA   ASP  41           HA       ASP  41 -11.784   3.681  -1.196
  295    HB2  ASP  41           HB2      ASP  41 -11.242   4.943   1.527
  296    HB3  ASP  41           HB1      ASP  41 -11.939   5.801   0.167
  297    H    SER  42           HN       SER  42 -10.913   5.960  -1.783
  298    HA   SER  42           HA       SER  42  -8.206   5.733  -2.556
  299    HB2  SER  42           HB2      SER  42  -8.527   8.142  -3.186
  300    HB3  SER  42           HB1      SER  42  -9.742   7.039  -3.868
  301    H    LEU  43           HN       LEU  43  -9.887   7.743  -0.176
  302    HA   LEU  43           HA       LEU  43  -7.711   8.986   1.014
  303    HB2  LEU  43           HB2      LEU  43 -10.473   8.397   1.805
  304    HB3  LEU  43           HB1      LEU  43  -9.371   8.636   3.142
  305    HG   LEU  43           HG       LEU  43  -9.785  10.634   0.917
  306   HD11  LEU  43          HD11      LEU  43 -10.846  10.564   3.752
  307   HD12  LEU  43          HD12      LEU  43 -11.803  10.409   2.281
  308   HD13  LEU  43          HD13      LEU  43 -10.982  11.928   2.645
  309   HD21  LEU  43          HD21      LEU  43  -7.580  10.717   1.938
  310   HD22  LEU  43          HD22      LEU  43  -8.291  10.757   3.540
  311   HD23  LEU  43          HD23      LEU  43  -8.532  12.117   2.433
  312    H    ALA  44           HN       ALA  44  -9.068   5.833   1.573
  313    HA   ALA  44           HA       ALA  44  -7.567   5.207   3.876
  314    HB1  ALA  44           HB1      ALA  44  -8.710   3.312   1.824
  315    HB2  ALA  44           HB2      ALA  44  -9.568   3.946   3.226
  316    HB3  ALA  44           HB3      ALA  44  -8.175   2.886   3.449
  317    H    LEU  45           HN       LEU  45  -6.865   4.932   0.435
  318    HA   LEU  45           HA       LEU  45  -4.449   3.477   0.869
  319    HB2  LEU  45           HB2      LEU  45  -5.736   3.313  -1.189
  320    HB3  LEU  45           HB1      LEU  45  -5.363   4.983  -1.546
  321    HG   LEU  45           HG       LEU  45  -3.232   4.476  -2.319
  322   HD11  LEU  45          HD11      LEU  45  -3.237   1.971  -0.570
  323   HD12  LEU  45          HD12      LEU  45  -2.439   3.492  -0.147
  324   HD13  LEU  45          HD13      LEU  45  -1.896   2.589  -1.553
  325   HD21  LEU  45          HD21      LEU  45  -3.320   2.373  -3.455
  326   HD22  LEU  45          HD22      LEU  45  -4.927   3.185  -3.497
  327   HD23  LEU  45          HD23      LEU  45  -4.564   1.911  -2.295
  328    H    MET  46           HN       MET  46  -5.278   6.881   0.429
  329    HA   MET  46           HA       MET  46  -2.664   7.995   0.264
  330    HB2  MET  46           HB2      MET  46  -4.889   9.307   1.865
  331    HB3  MET  46           HB1      MET  46  -3.630  10.096   0.927
  332    HG2  MET  46           HG2      MET  46  -4.704   9.098  -1.082
  333    HG3  MET  46           HG1      MET  46  -5.971   8.598   0.045
  334    HE1  MET  46           HE1      MET  46  -7.600  11.565  -1.966
  335    HE2  MET  46           HE2      MET  46  -7.711   9.853  -1.557
  336    HE3  MET  46           HE3      MET  46  -6.405  10.426  -2.589
  337    H    GLU  47           HN       GLU  47  -4.789   7.319   2.879
  338    HA   GLU  47           HA       GLU  47  -3.368   7.940   5.135
  339    HB2  GLU  47           HB2      GLU  47  -5.727   7.324   4.653
  340    HB3  GLU  47           HB1      GLU  47  -5.230   5.666   4.610
  341    HG2  GLU  47           HG2      GLU  47  -6.180   6.129   6.790
  342    HG3  GLU  47           HG1      GLU  47  -4.465   5.724   6.887
  343    H    THR  48           HN       THR  48  -3.691   4.769   3.513
  344    HA   THR  48           HA       THR  48  -1.903   3.197   4.928
  345    HB   THR  48           HB       THR  48  -2.650   3.172   1.997
  346    HG1  THR  48           HG1      THR  48  -4.414   2.844   3.328
  347   HG21  THR  48          HG21      THR  48  -2.003   0.818   1.916
  348   HG22  THR  48          HG22      THR  48  -1.344   0.902   3.565
  349   HG23  THR  48          HG23      THR  48  -0.615   1.836   2.252
  350    H    ALA  49           HN       ALA  49  -1.285   5.125   2.015
  351    HA   ALA  49           HA       ALA  49   1.392   4.444   1.648
  352    HB1  ALA  49           HB1      ALA  49   1.528   6.394   0.174
  353    HB2  ALA  49           HB2      ALA  49   0.005   6.996   0.822
  354    HB3  ALA  49           HB3      ALA  49   0.035   5.493  -0.097
  355    H    ALA  50           HN       ALA  50  -0.044   7.341   3.208
  356    HA   ALA  50           HA       ALA  50   2.377   8.544   3.992
  357    HB1  ALA  50           HB1      ALA  50  -0.358   8.818   5.241
  358    HB2  ALA  50           HB2      ALA  50   0.242   9.752   3.871
  359    HB3  ALA  50           HB3      ALA  50   0.989   9.937   5.461
  360    H    ARG  51           HN       ARG  51   0.331   6.180   5.510
  361    HA   ARG  51           HA       ARG  51   1.427   6.167   8.100
  362    HB2  ARG  51           HB2      ARG  51  -0.698   5.037   6.969
  363    HB3  ARG  51           HB1      ARG  51   0.375   3.675   6.777
  364    HG2  ARG  51           HG2      ARG  51  -0.215   4.967   9.426
  365    HG3  ARG  51           HG1      ARG  51  -1.166   3.658   8.754
  366    HD2  ARG  51           HD2      ARG  51   0.810   2.209   8.779
  367    HD3  ARG  51           HD1      ARG  51   1.778   3.529   9.447
  368    HE   ARG  51           HE       ARG  51  -0.090   3.483  11.217
  369   HH11  ARG  51          HH11      ARG  51   1.533   0.713   9.805
  370   HH12  ARG  51          HH12      ARG  51   1.249  -0.341  11.117
  371   HH21  ARG  51          HH21      ARG  51  -0.593   2.058  12.986
  372   HH22  ARG  51          HH22      ARG  51  -0.007   0.455  12.991
  373    H    LEU  52           HN       LEU  52   2.356   4.697   5.062
  374    HA   LEU  52           HA       LEU  52   4.472   3.121   6.221
  375    HB2  LEU  52           HB2      LEU  52   3.857   3.729   3.324
  376    HB3  LEU  52           HB1      LEU  52   5.054   2.572   3.888
  377    HG   LEU  52           HG       LEU  52   2.067   2.377   4.274
  378   HD11  LEU  52          HD11      LEU  52   2.236   0.442   2.785
  379   HD12  LEU  52          HD12      LEU  52   3.944   0.805   2.535
  380   HD13  LEU  52          HD13      LEU  52   2.711   1.951   2.004
  381   HD21  LEU  52          HD21      LEU  52   3.251   1.418   6.182
  382   HD22  LEU  52          HD22      LEU  52   4.253   0.456   5.093
  383   HD23  LEU  52          HD23      LEU  52   2.517   0.153   5.200
  384    H    GLU  53           HN       GLU  53   4.155   6.198   4.502
  385    HA   GLU  53           HA       GLU  53   6.849   6.802   4.075
  386    HB2  GLU  53           HB2      GLU  53   4.674   8.767   4.859
  387    HB3  GLU  53           HB1      GLU  53   6.219   9.176   4.147
  388    HG2  GLU  53           HG2      GLU  53   5.590   7.998   2.103
  389    HG3  GLU  53           HG1      GLU  53   4.017   7.618   2.816
  390    H    SER  54           HN       SER  54   4.827   7.544   6.904
  391    HA   SER  54           HA       SER  54   6.832   8.807   8.425
  392    HB2  SER  54           HB2      SER  54   4.415   7.297   9.449
  393    HB3  SER  54           HB1      SER  54   5.295   8.559  10.301
  394    HG   SER  54           HG       SER  54   4.643   9.636   8.023
  395    H    ARG  55           HN       ARG  55   6.104   5.462   7.904
  396    HA   ARG  55           HA       ARG  55   7.507   4.512  10.232
  397    HB2  ARG  55           HB2      ARG  55   5.520   3.342   9.485
  398    HB3  ARG  55           HB1      ARG  55   6.230   3.064   7.913
  399    HG2  ARG  55           HG2      ARG  55   7.850   1.533   8.876
  400    HG3  ARG  55           HG1      ARG  55   7.235   1.876  10.503
  401    HD2  ARG  55           HD2      ARG  55   5.072   0.974   9.922
  402    HD3  ARG  55           HD1      ARG  55   5.572   0.752   8.254
  403    HE   ARG  55           HE       ARG  55   7.329  -0.797   9.478
  404   HH11  ARG  55          HH11      ARG  55   3.992  -0.420  10.525
  405   HH12  ARG  55          HH12      ARG  55   3.665  -2.082  10.657
  406   HH21  ARG  55          HH21      ARG  55   6.962  -3.118   9.724
  407   HH22  ARG  55          HH22      ARG  55   5.429  -3.660  10.202
  408    H    TYR  56           HN       TYR  56   8.172   4.628   6.729
  409    HA   TYR  56           HA       TYR  56  10.763   3.413   7.355
  410    HB2  TYR  56           HB2      TYR  56   9.289   3.475   4.730
  411    HB3  TYR  56           HB1      TYR  56  10.916   2.826   4.940
  412    HD1  TYR  56           HD1      TYR  56  11.172   0.977   6.748
  413    HD2  TYR  56           HD2      TYR  56   7.450   2.076   5.019
  414    HE1  TYR  56           HE1      TYR  56  10.221  -1.181   7.445
  415    HE2  TYR  56           HE2      TYR  56   6.486  -0.081   5.715
  416    HH   TYR  56           HH       TYR  56   7.306  -2.349   6.250
  417    H    GLY  57           HN       GLY  57   9.476   6.415   6.448
  418    HA2  GLY  57           HA2      GLY  57  10.675   8.396   6.248
  419    HA3  GLY  57           HA1      GLY  57  12.158   7.455   6.163
  420    H    VAL  58           HN       VAL  58   9.194   7.518   4.215
  421    HA   VAL  58           HA       VAL  58  10.841   8.058   1.838
  422    HB   VAL  58           HB       VAL  58   9.330   6.635   0.465
  423   HG11  VAL  58          HG11      VAL  58  11.367   5.617   1.365
  424   HG12  VAL  58          HG12      VAL  58  10.038   4.450   1.213
  425   HG13  VAL  58          HG13      VAL  58  10.450   5.111   2.796
  426   HG21  VAL  58          HG21      VAL  58   7.741   5.106   1.521
  427   HG22  VAL  58          HG22      VAL  58   7.321   6.794   1.822
  428   HG23  VAL  58          HG23      VAL  58   8.082   5.836   3.093
  429    H    SER  59           HN       SER  59   9.141   8.699  -0.072
  430    HA   SER  59           HA       SER  59   6.869  10.133   0.989
  431    HB2  SER  59           HB2      SER  59   9.040  11.526  -0.600
  432    HB3  SER  59           HB1      SER  59   7.490  12.234  -0.143
  433    HG   SER  59           HG       SER  59   8.535  11.211   2.016
  434    H    ILE  60           HN       ILE  60   5.236   9.551  -0.138
  435    HA   ILE  60           HA       ILE  60   5.521   9.194  -3.040
  436    HB   ILE  60           HB       ILE  60   3.669   7.640  -1.179
  437   HG12  ILE  60          HG12      ILE  60   4.738   5.618  -2.304
  438   HG13  ILE  60          HG11      ILE  60   5.931   6.726  -2.977
  439   HG21  ILE  60          HG21      ILE  60   3.702   7.591  -4.186
  440   HG22  ILE  60          HG22      ILE  60   2.429   8.249  -3.158
  441   HG23  ILE  60          HG23      ILE  60   2.757   6.516  -3.154
  442   HD11  ILE  60          HD11      ILE  60   6.657   7.284  -0.720
  443   HD12  ILE  60          HD12      ILE  60   6.765   5.549  -1.024
  444   HD13  ILE  60          HD13      ILE  60   5.440   6.200  -0.058
  445    HA   PRO  61           HA       PRO  61   2.798  12.756  -2.975
  446    HB2  PRO  61           HB2      PRO  61   2.606  12.063  -5.858
  447    HB3  PRO  61           HB1      PRO  61   3.027  13.606  -5.106
  448    HG2  PRO  61           HG2      PRO  61   4.908  12.116  -6.244
  449    HG3  PRO  61           HG1      PRO  61   5.233  12.964  -4.714
  450    HD2  PRO  61           HD2      PRO  61   4.602  10.070  -5.175
  451    HD3  PRO  61           HD1      PRO  61   5.794  10.815  -4.080
  452    H    ASP  62           HN       ASP  62   0.641  13.095  -3.053
  453    HA   ASP  62           HA       ASP  62  -1.114  11.136  -2.325
  454    HB2  ASP  62           HB2      ASP  62  -1.855  13.682  -3.756
  455    HB3  ASP  62           HB1      ASP  62  -2.898  12.729  -2.712
  456    H    ASP  63           HN       ASP  63  -0.928  12.634  -5.544
  457    HA   ASP  63           HA       ASP  63  -3.079  11.059  -6.533
  458    HB2  ASP  63           HB2      ASP  63  -2.776  12.110  -8.652
  459    HB3  ASP  63           HB1      ASP  63  -2.494  13.339  -7.419
  460    H    VAL  64           HN       VAL  64   0.228  10.407  -6.155
  461    HA   VAL  64           HA       VAL  64   0.465   8.628  -8.389
  462    HB   VAL  64           HB       VAL  64   2.267   8.912  -5.952
  463   HG11  VAL  64          HG11      VAL  64   2.550   6.732  -7.026
  464   HG12  VAL  64          HG12      VAL  64   3.959   7.763  -7.298
  465   HG13  VAL  64          HG13      VAL  64   2.772   7.524  -8.589
  466   HG21  VAL  64          HG21      VAL  64   3.722  10.186  -7.454
  467   HG22  VAL  64          HG22      VAL  64   2.150  10.957  -7.263
  468   HG23  VAL  64          HG23      VAL  64   2.513  10.049  -8.733
  469    H    ALA  65           HN       ALA  65  -0.313   8.348  -4.958
  470    HA   ALA  65           HA       ALA  65  -0.248   5.520  -4.868
  471    HB1  ALA  65           HB1      ALA  65  -1.720   7.483  -3.115
  472    HB2  ALA  65           HB2      ALA  65  -0.055   6.938  -2.882
  473    HB3  ALA  65           HB3      ALA  65  -1.390   5.784  -2.748
  474    H    GLY  66           HN       GLY  66  -2.481   7.854  -5.986
  475    HA2  GLY  66           HA2      GLY  66  -4.801   6.116  -5.890
  476    HA3  GLY  66           HA1      GLY  66  -4.721   7.724  -6.588
  477    H    ARG  67           HN       ARG  67  -2.132   6.193  -7.846
  478    HA   ARG  67           HA       ARG  67  -3.499   5.748 -10.355
  479    HB2  ARG  67           HB2      ARG  67  -0.558   5.587  -9.685
  480    HB3  ARG  67           HB1      ARG  67  -1.255   5.504 -11.296
  481    HG2  ARG  67           HG2      ARG  67  -2.011   7.780 -11.125
  482    HG3  ARG  67           HG1      ARG  67  -1.453   7.866  -9.451
  483    HD2  ARG  67           HD2      ARG  67   0.845   7.379 -10.284
  484    HD3  ARG  67           HD1      ARG  67   0.230   7.532 -11.927
  485    HE   ARG  67           HE       ARG  67  -0.500   9.818 -10.531
  486   HH11  ARG  67          HH11      ARG  67   2.524   8.278 -11.637
  487   HH12  ARG  67          HH12      ARG  67   3.365   9.747 -11.808
  488   HH21  ARG  67          HH21      ARG  67   0.701  11.789 -10.654
  489   HH22  ARG  67          HH22      ARG  67   2.330  11.815 -11.200
  490    H    VAL  68           HN       VAL  68  -2.553   3.894  -7.687
  491    HA   VAL  68           HA       VAL  68  -1.947   1.600  -9.319
  492    HB   VAL  68           HB       VAL  68  -1.303   0.389  -7.304
  493   HG11  VAL  68          HG11      VAL  68   0.331   1.815  -8.301
  494   HG12  VAL  68          HG12      VAL  68   0.527   1.811  -6.547
  495   HG13  VAL  68          HG13      VAL  68  -0.233   3.186  -7.345
  496   HG21  VAL  68          HG21      VAL  68  -2.250   2.813  -5.755
  497   HG22  VAL  68          HG22      VAL  68  -1.331   1.466  -5.101
  498   HG23  VAL  68          HG23      VAL  68  -2.965   1.194  -5.716
  499    H    ASP  69           HN       ASP  69  -2.943  -0.571  -8.317
  500    HA   ASP  69           HA       ASP  69  -5.808  -0.243  -7.705
  501    HB2  ASP  69           HB2      ASP  69  -5.566  -0.394 -10.208
  502    HB3  ASP  69           HB1      ASP  69  -4.717  -1.889  -9.978
  503    H    THR  70           HN       THR  70  -3.050  -2.244  -8.280
  504    HA   THR  70           HA       THR  70  -4.054  -4.267  -6.435
  505    HB   THR  70           HB       THR  70  -2.469  -5.786  -7.590
  506    HG1  THR  70           HG1      THR  70  -1.882  -3.411  -9.068
  507   HG21  THR  70          HG21      THR  70  -4.713  -5.590  -8.526
  508   HG22  THR  70          HG22      THR  70  -3.542  -5.775  -9.840
  509   HG23  THR  70          HG23      THR  70  -4.220  -4.187  -9.471
  510    HA   PRO  71           HA       PRO  71  -1.106  -3.020  -3.359
  511    HB2  PRO  71           HB2      PRO  71  -0.504  -5.924  -3.057
  512    HB3  PRO  71           HB1      PRO  71  -0.975  -4.738  -1.830
  513    HG2  PRO  71           HG2      PRO  71  -2.739  -6.491  -2.678
  514    HG3  PRO  71           HG1      PRO  71  -3.226  -4.806  -2.446
  515    HD2  PRO  71           HD2      PRO  71  -2.589  -6.252  -4.986
  516    HD3  PRO  71           HD1      PRO  71  -3.892  -5.091  -4.649
  517    H    ARG  72           HN       ARG  72  -0.039  -5.314  -5.797
  518    HA   ARG  72           HA       ARG  72   2.712  -5.139  -5.159
  519    HB2  ARG  72           HB2      ARG  72   3.156  -6.158  -7.362
  520    HB3  ARG  72           HB1      ARG  72   1.960  -7.025  -6.424
  521    HG2  ARG  72           HG2      ARG  72   0.184  -6.085  -7.773
  522    HG3  ARG  72           HG1      ARG  72   1.370  -5.151  -8.693
  523    HD2  ARG  72           HD2      ARG  72   1.281  -8.154  -8.491
  524    HD3  ARG  72           HD1      ARG  72   0.694  -7.208  -9.855
  525    HE   ARG  72           HE       ARG  72   3.182  -6.346  -9.755
  526   HH11  ARG  72          HH11      ARG  72   2.138  -9.735  -9.342
  527   HH12  ARG  72          HH12      ARG  72   3.514 -10.343 -10.164
  528   HH21  ARG  72          HH21      ARG  72   4.962  -7.244 -10.859
  529   HH22  ARG  72          HH22      ARG  72   5.125  -8.935 -11.057
  530    H    GLU  73           HN       GLU  73   0.676  -3.077  -7.062
  531    HA   GLU  73           HA       GLU  73   2.818  -1.720  -8.385
  532    HB2  GLU  73           HB2      GLU  73  -0.034  -0.863  -7.837
  533    HB3  GLU  73           HB1      GLU  73   1.070  -0.054  -8.929
  534    HG2  GLU  73           HG2      GLU  73   1.045  -1.848 -10.447
  535    HG3  GLU  73           HG1      GLU  73   0.263  -2.917  -9.274
  536    H    LEU  74           HN       LEU  74   0.885  -1.262  -5.509
  537    HA   LEU  74           HA       LEU  74   1.848   1.268  -4.683
  538    HB2  LEU  74           HB2      LEU  74  -0.171  -0.202  -3.797
  539    HB3  LEU  74           HB1      LEU  74   1.122  -0.915  -2.829
  540    HG   LEU  74           HG       LEU  74  -0.340   0.869  -1.637
  541   HD11  LEU  74          HD11      LEU  74   1.745   0.106  -0.703
  542   HD12  LEU  74          HD12      LEU  74   1.486   1.830  -0.416
  543   HD13  LEU  74          HD13      LEU  74   2.615   1.300  -1.662
  544   HD21  LEU  74          HD21      LEU  74  -0.441   2.467  -3.473
  545   HD22  LEU  74          HD22      LEU  74   1.304   2.699  -3.380
  546   HD23  LEU  74          HD23      LEU  74   0.272   3.191  -2.034
  547    H    LEU  75           HN       LEU  75   2.744  -2.061  -3.917
  548    HA   LEU  75           HA       LEU  75   4.732  -1.653  -2.065
  549    HB2  LEU  75           HB2      LEU  75   3.711  -3.753  -2.463
  550    HB3  LEU  75           HB1      LEU  75   4.268  -3.777  -4.123
  551    HG   LEU  75           HG       LEU  75   6.542  -3.777  -3.235
  552   HD11  LEU  75          HD11      LEU  75   6.891  -4.612  -0.928
  553   HD12  LEU  75          HD12      LEU  75   5.158  -4.444  -0.633
  554   HD13  LEU  75          HD13      LEU  75   6.136  -3.016  -0.970
  555   HD21  LEU  75          HD21      LEU  75   5.527  -5.695  -4.171
  556   HD22  LEU  75          HD22      LEU  75   4.742  -6.096  -2.646
  557   HD23  LEU  75          HD23      LEU  75   6.508  -6.221  -2.795
  558    H    ASP  76           HN       ASP  76   4.842  -1.715  -5.590
  559    HA   ASP  76           HA       ASP  76   7.661  -1.667  -5.853
  560    HB2  ASP  76           HB2      ASP  76   6.280  -2.344  -7.743
  561    HB3  ASP  76           HB1      ASP  76   5.531  -0.752  -7.799
  562    H    LEU  77           HN       LEU  77   5.201   0.823  -5.725
  563    HA   LEU  77           HA       LEU  77   6.839   3.041  -6.168
  564    HB2  LEU  77           HB2      LEU  77   4.374   2.803  -4.447
  565    HB3  LEU  77           HB1      LEU  77   5.089   4.312  -4.966
  566    HG   LEU  77           HG       LEU  77   3.866   2.228  -6.771
  567   HD11  LEU  77          HD11      LEU  77   2.064   3.845  -7.090
  568   HD12  LEU  77          HD12      LEU  77   2.823   4.937  -5.925
  569   HD13  LEU  77          HD13      LEU  77   2.200   3.370  -5.401
  570   HD21  LEU  77          HD21      LEU  77   4.906   4.993  -7.392
  571   HD22  LEU  77          HD22      LEU  77   4.077   3.927  -8.529
  572   HD23  LEU  77          HD23      LEU  77   5.656   3.475  -7.882
  573    H    ILE  78           HN       ILE  78   5.907   1.411  -3.192
  574    HA   ILE  78           HA       ILE  78   7.339   3.027  -1.367
  575    HB   ILE  78           HB       ILE  78   6.621   0.088  -1.101
  576   HG12  ILE  78          HG12      ILE  78   4.640   1.458  -1.484
  577   HG13  ILE  78          HG11      ILE  78   4.671   0.869   0.173
  578   HG21  ILE  78          HG21      ILE  78   6.836   0.440   1.322
  579   HG22  ILE  78          HG22      ILE  78   7.343   2.113   1.026
  580   HG23  ILE  78          HG23      ILE  78   8.351   0.782   0.476
  581   HD11  ILE  78          HD11      ILE  78   5.448   3.072   0.923
  582   HD12  ILE  78          HD12      ILE  78   3.915   3.189   0.063
  583   HD13  ILE  78          HD13      ILE  78   5.420   3.641  -0.751
  584    H    ASN  79           HN       ASN  79   8.247  -0.291  -2.487
  585    HA   ASN  79           HA       ASN  79  10.831  -0.167  -1.429
  586    HB2  ASN  79           HB2      ASN  79   9.793  -1.839  -3.704
  587    HB3  ASN  79           HB1      ASN  79  11.440  -1.975  -3.104
  588   HD21  ASN  79          HD21      ASN  79   9.803  -4.107  -3.131
  589   HD22  ASN  79          HD22      ASN  79   9.351  -4.556  -1.522
  590    H    GLY  80           HN       GLY  80   9.674   1.092  -4.464
  591    HA2  GLY  80           HA2      GLY  80  12.184   1.474  -5.677
  592    HA3  GLY  80           HA1      GLY  80  10.727   2.394  -6.033
  593    H    ALA  81           HN       ALA  81  10.235   3.537  -3.593
  594    HA   ALA  81           HA       ALA  81  12.148   5.661  -3.600
  595    HB1  ALA  81           HB1      ALA  81  10.743   6.635  -1.856
  596    HB2  ALA  81           HB2      ALA  81   9.824   5.130  -1.756
  597    HB3  ALA  81           HB3      ALA  81   9.771   6.099  -3.231
  598    H    LEU  82           HN       LEU  82  11.289   2.993  -1.466
  599    HA   LEU  82           HA       LEU  82  12.836   3.640   0.733
  600    HB2  LEU  82           HB2      LEU  82  10.998   2.053   0.761
  601    HB3  LEU  82           HB1      LEU  82  11.874   0.995  -0.323
  602    HG   LEU  82           HG       LEU  82  13.534   0.642   1.353
  603   HD11  LEU  82          HD11      LEU  82  13.122   1.373   3.713
  604   HD12  LEU  82          HD12      LEU  82  11.735   2.299   3.147
  605   HD13  LEU  82          HD13      LEU  82  13.355   2.732   2.623
  606   HD21  LEU  82          HD21      LEU  82  12.173  -0.749   2.867
  607   HD22  LEU  82          HD22      LEU  82  11.690  -0.906   1.180
  608   HD23  LEU  82          HD23      LEU  82  10.722   0.067   2.284
  609    H    ALA  83           HN       ALA  83  13.656   2.064  -2.291
  610    HA   ALA  83           HA       ALA  83  16.050   0.857  -1.585
  611    HB1  ALA  83           HB1      ALA  83  14.925   0.535  -3.749
  612    HB2  ALA  83           HB2      ALA  83  16.623   0.950  -3.950
  613    HB3  ALA  83           HB3      ALA  83  15.376   2.178  -4.219
  614    H    GLU  84           HN       GLU  84  15.488   4.223  -2.737
  615    HA   GLU  84           HA       GLU  84  18.236   4.837  -2.200
  616    HB2  GLU  84           HB2      GLU  84  15.971   6.273  -3.499
  617    HB3  GLU  84           HB1      GLU  84  17.404   7.137  -3.007
  618    HG2  GLU  84           HG2      GLU  84  17.605   6.623  -5.326
  619    HG3  GLU  84           HG1      GLU  84  18.737   5.598  -4.452
  620    H    ALA  85           HN       ALA  85  15.329   4.912  -0.490
  621    HA   ALA  85           HA       ALA  85  16.080   7.205   1.116
  622    HB1  ALA  85           HB1      ALA  85  13.704   6.810   0.538
  623    HB2  ALA  85           HB2      ALA  85  13.986   6.942   2.267
  624    HB3  ALA  85           HB3      ALA  85  13.729   5.359   1.545
  625    H    ALA  86           HN       ALA  86  16.561   3.842   1.199
  626    HA   ALA  86           HA       ALA  86  17.109   3.827   4.044
  627    HB1  ALA  86           HB1      ALA  86  17.467   1.641   1.979
  628    HB2  ALA  86           HB2      ALA  86  16.062   1.840   3.025
  629    HB3  ALA  86           HB3      ALA  86  17.642   1.451   3.724
  630   H28A  SDO 101          H28A      SDO  42 -11.807  10.958  -1.348
  631   H28B  SDO 101          H28B      SDO  42 -10.076  10.622  -1.472
  632   H30A  SDO 101          H30A      SDO  42 -11.131  13.085  -0.241
  633   H30B  SDO 101          H30B      SDO  42 -10.125  14.258  -1.079
  634   H30C  SDO 101          H30C      SDO  42  -9.429  12.736  -0.521
  635   H31A  SDO 101          H31A      SDO  42  -9.726  12.189  -4.172
  636   H31B  SDO 101          H31B      SDO  42  -8.608  12.250  -2.804
  637   H31C  SDO 101          H31C      SDO  42  -9.319  13.741  -3.423
  638   H32A  SDO 101          H32A      SDO  42 -12.294  12.608  -3.744
  639   H33A  SDO 101          H33A      SDO  42 -12.442  14.765  -3.930
  640   H36A  SDO 101          H36A      SDO  42 -12.813  15.188  -1.946
  641   H37A  SDO 101          H37A      SDO  42 -14.759  15.848  -0.826
  642   H37B  SDO 101          H37B      SDO  42 -15.147  14.150  -0.488
  643   H38A  SDO 101          H38A      SDO  42 -14.435  15.459   1.547
  644   H38B  SDO 101          H38B      SDO  42 -13.455  14.059   1.203
  645   H41A  SDO 101          H41A      SDO  42 -11.913  15.062   2.555
  646   H42A  SDO 101          H42A      SDO  42  -9.751  16.202   1.181
  647   H42B  SDO 101          H42B      SDO  42 -10.580  17.471   2.074
  648   H43A  SDO 101          H43A      SDO  42  -9.368  14.962   3.208
  649   H43B  SDO 101          H43B      SDO  42 -10.370  16.065   4.103
  650    H1A  SDO 101           H1A      SDO  42  -7.752  19.274   3.416
  651    H1B  SDO 101           H1B      SDO  42  -6.722  18.210   2.489
  652    H2A  SDO 101           H2A      SDO  42  -9.580  18.814   1.885
  653    H2B  SDO 101           H2B      SDO  42  -8.528  17.802   0.934
  654    H4A  SDO 101           H4A      SDO  42  -7.433  21.922   0.848
  655    H4B  SDO 101           H4B      SDO  42  -6.360  20.888  -0.048
  656    H5A  SDO 101           H5A      SDO  42  -5.552  19.843   1.972
  657    H5B  SDO 101           H5B      SDO  42  -6.649  20.840   2.934
  658    H6A  SDO 101           H6A      SDO  42  -5.540  22.866   2.088
  659    H6B  SDO 101           H6B      SDO  42  -4.429  21.870   1.164
  660    H8A  SDO 101           H8A      SDO  42  -5.272  20.487   4.381
  661    H8B  SDO 101           H8B      SDO  42  -3.843  21.068   5.239
  662    H8C  SDO 101           H8C      SDO  42  -3.673  19.874   3.942
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  16.954  -8.223   0.483
    2    H2   MET   1           HT2      MET   1  17.662  -8.400   1.985
    3    H3   MET   1           HT3      MET   1  18.249  -9.301   0.673
    4    HA   MET   1           HA       MET   1  19.694  -7.486   1.274
    5    HB2  MET   1           HB2      MET   1  19.946  -6.452  -0.935
    6    HB3  MET   1           HB1      MET   1  19.564  -8.149  -1.120
    7    HG2  MET   1           HG2      MET   1  17.602  -5.882  -1.450
    8    HG3  MET   1           HG1      MET   1  18.438  -6.699  -2.768
    9    HE1  MET   1           HE1      MET   1  17.933  -9.160  -3.557
   10    HE2  MET   1           HE2      MET   1  16.853 -10.265  -2.706
   11    HE3  MET   1           HE3      MET   1  18.356  -9.751  -1.950
   12    H    ALA   2           HN       ALA   2  19.826  -5.651   2.325
   13    HA   ALA   2           HA       ALA   2  19.417  -3.681   3.302
   14    HB1  ALA   2           HB1      ALA   2  19.507  -2.917   0.962
   15    HB2  ALA   2           HB2      ALA   2  18.529  -1.877   2.001
   16    HB3  ALA   2           HB3      ALA   2  17.744  -3.007   0.894
   17    H    THR   3           HN       THR   3  16.667  -5.558   2.687
   18    HA   THR   3           HA       THR   3  14.735  -5.898   3.734
   19    HB   THR   3           HB       THR   3  15.498  -3.746   5.746
   20    HG1  THR   3           HG1      THR   3  16.730  -5.989   5.295
   21   HG21  THR   3          HG21      THR   3  13.561  -6.072   5.901
   22   HG22  THR   3          HG22      THR   3  13.117  -4.368   5.772
   23   HG23  THR   3          HG23      THR   3  13.935  -4.962   7.222
   24    H    LEU   4           HN       LEU   4  13.957  -4.999   1.648
   25    HA   LEU   4           HA       LEU   4  12.858  -2.388   1.613
   26    HB2  LEU   4           HB2      LEU   4  12.987  -4.809  -0.103
   27    HB3  LEU   4           HB1      LEU   4  11.820  -3.573  -0.432
   28    HG   LEU   4           HG       LEU   4  13.590  -3.226  -1.903
   29   HD11  LEU   4          HD11      LEU   4  14.579  -1.074  -1.323
   30   HD12  LEU   4          HD12      LEU   4  13.978  -1.272   0.321
   31   HD13  LEU   4          HD13      LEU   4  12.845  -1.160  -1.027
   32   HD21  LEU   4          HD21      LEU   4  15.527  -3.442   0.391
   33   HD22  LEU   4          HD22      LEU   4  15.954  -3.014  -1.263
   34   HD23  LEU   4          HD23      LEU   4  15.302  -4.614  -0.910
   35    H    LEU   5           HN       LEU   5  10.518  -2.577   0.666
   36    HA   LEU   5           HA       LEU   5   8.858  -3.642   2.793
   37    HB2  LEU   5           HB2      LEU   5   8.523  -1.483   1.296
   38    HB3  LEU   5           HB1      LEU   5   7.856  -2.610   0.142
   39    HG   LEU   5           HG       LEU   5   6.758  -1.886   2.870
   40   HD11  LEU   5          HD11      LEU   5   4.861  -1.078   1.601
   41   HD12  LEU   5          HD12      LEU   5   5.685  -1.524   0.107
   42   HD13  LEU   5          HD13      LEU   5   6.360  -0.278   1.148
   43   HD21  LEU   5          HD21      LEU   5   5.643  -3.907   0.924
   44   HD22  LEU   5          HD22      LEU   5   4.856  -3.342   2.398
   45   HD23  LEU   5          HD23      LEU   5   6.346  -4.277   2.495
   46    H    THR   6           HN       THR   6   7.895  -5.627   2.672
   47    HA   THR   6           HA       THR   6   8.170  -7.022   0.143
   48    HB   THR   6           HB       THR   6   8.357  -9.124   1.759
   49    HG1  THR   6           HG1      THR   6   9.485  -6.969   3.216
   50   HG21  THR   6          HG21      THR   6  10.800  -8.936   1.574
   51   HG22  THR   6          HG22      THR   6  10.644  -7.216   1.210
   52   HG23  THR   6          HG23      THR   6  10.027  -8.418   0.082
   53    H    THR   7           HN       THR   7   6.829  -9.312   0.473
   54    HA   THR   7           HA       THR   7   4.186  -8.487   0.020
   55    HB   THR   7           HB       THR   7   5.139 -11.288   0.581
   56    HG1  THR   7           HG1      THR   7   5.368 -10.921  -1.964
   57   HG21  THR   7          HG21      THR   7   3.109 -10.087  -1.305
   58   HG22  THR   7          HG22      THR   7   2.739 -10.902   0.206
   59   HG23  THR   7          HG23      THR   7   3.451 -11.810  -1.139
   60    H    ASP   8           HN       ASP   8   5.672 -10.495   2.531
   61    HA   ASP   8           HA       ASP   8   3.345 -11.039   4.056
   62    HB2  ASP   8           HB2      ASP   8   5.686 -12.149   4.097
   63    HB3  ASP   8           HB1      ASP   8   6.127 -10.856   5.200
   64    H    ASP   9           HN       ASP   9   5.722  -8.570   4.061
   65    HA   ASP   9           HA       ASP   9   5.085  -7.244   6.472
   66    HB2  ASP   9           HB2      ASP   9   7.228  -6.947   5.345
   67    HB3  ASP   9           HB1      ASP   9   6.407  -6.203   3.972
   68    H    LEU  10           HN       LEU  10   4.194  -6.573   3.080
   69    HA   LEU  10           HA       LEU  10   2.653  -4.314   3.631
   70    HB2  LEU  10           HB2      LEU  10   3.273  -4.895   1.326
   71    HB3  LEU  10           HB1      LEU  10   2.181  -6.268   1.376
   72    HG   LEU  10           HG       LEU  10   0.328  -4.607   1.879
   73   HD11  LEU  10          HD11      LEU  10   2.378  -2.617   0.961
   74   HD12  LEU  10          HD12      LEU  10   1.624  -2.724   2.554
   75   HD13  LEU  10          HD13      LEU  10   0.651  -2.305   1.145
   76   HD21  LEU  10          HD21      LEU  10  -0.004  -3.997  -0.455
   77   HD22  LEU  10          HD22      LEU  10   0.536  -5.670  -0.297
   78   HD23  LEU  10          HD23      LEU  10   1.670  -4.414  -0.804
   79    H    ARG  11           HN       ARG  11   1.827  -7.700   3.688
   80    HA   ARG  11           HA       ARG  11  -0.944  -7.572   3.780
   81    HB2  ARG  11           HB2      ARG  11   0.443  -9.661   3.674
   82    HB3  ARG  11           HB1      ARG  11   0.776  -9.481   5.384
   83    HG2  ARG  11           HG2      ARG  11  -1.646  -9.684   5.844
   84    HG3  ARG  11           HG1      ARG  11  -1.922  -9.963   4.126
   85    HD2  ARG  11           HD2      ARG  11  -1.820 -12.110   5.252
   86    HD3  ARG  11           HD1      ARG  11  -0.381 -11.916   4.246
   87    HE   ARG  11           HE       ARG  11  -0.433 -11.445   7.140
   88   HH11  ARG  11          HH11      ARG  11   1.098 -13.061   4.382
   89   HH12  ARG  11          HH12      ARG  11   2.590 -13.267   5.223
   90   HH21  ARG  11          HH21      ARG  11   1.555 -11.774   8.213
   91   HH22  ARG  11          HH22      ARG  11   2.889 -12.481   7.387
   92    H    ARG  12           HN       ARG  12   1.393  -7.230   6.399
   93    HA   ARG  12           HA       ARG  12  -0.538  -6.950   8.461
   94    HB2  ARG  12           HB2      ARG  12   2.348  -6.070   8.387
   95    HB3  ARG  12           HB1      ARG  12   1.333  -6.072   9.823
   96    HG2  ARG  12           HG2      ARG  12   1.092  -8.502   9.643
   97    HG3  ARG  12           HG1      ARG  12   2.119  -8.497   8.209
   98    HD2  ARG  12           HD2      ARG  12   3.388  -9.150  10.186
   99    HD3  ARG  12           HD1      ARG  12   3.974  -7.620   9.551
  100    HE   ARG  12           HE       ARG  12   2.135  -6.920  11.464
  101   HH11  ARG  12          HH11      ARG  12   4.928  -9.092  11.600
  102   HH12  ARG  12          HH12      ARG  12   5.481  -8.525  13.109
  103   HH21  ARG  12          HH21      ARG  12   2.779  -6.251  13.542
  104   HH22  ARG  12          HH22      ARG  12   4.175  -6.896  14.306
  105    H    ALA  13           HN       ALA  13   1.498  -4.585   6.760
  106    HA   ALA  13           HA       ALA  13   0.515  -2.346   8.151
  107    HB1  ALA  13           HB1      ALA  13   1.810  -2.394   5.441
  108    HB2  ALA  13           HB2      ALA  13   2.668  -2.377   6.987
  109    HB3  ALA  13           HB3      ALA  13   1.666  -0.997   6.513
  110    H    LEU  14           HN       LEU  14  -0.607  -3.907   5.257
  111    HA   LEU  14           HA       LEU  14  -2.316  -1.873   4.310
  112    HB2  LEU  14           HB2      LEU  14  -1.536  -3.984   3.107
  113    HB3  LEU  14           HB1      LEU  14  -2.723  -4.853   4.050
  114    HG   LEU  14           HG       LEU  14  -4.510  -3.506   2.993
  115   HD11  LEU  14          HD11      LEU  14  -3.213  -1.516   2.495
  116   HD12  LEU  14          HD12      LEU  14  -3.987  -2.144   1.043
  117   HD13  LEU  14          HD13      LEU  14  -2.257  -2.416   1.315
  118   HD21  LEU  14          HD21      LEU  14  -3.901  -5.678   2.069
  119   HD22  LEU  14          HD22      LEU  14  -2.672  -4.921   1.060
  120   HD23  LEU  14          HD23      LEU  14  -4.380  -4.563   0.788
  121    H    VAL  15           HN       VAL  15  -2.836  -4.683   6.401
  122    HA   VAL  15           HA       VAL  15  -5.544  -4.334   6.997
  123    HB   VAL  15           HB       VAL  15  -3.313  -5.577   8.643
  124   HG11  VAL  15          HG11      VAL  15  -5.112  -6.726   9.905
  125   HG12  VAL  15          HG12      VAL  15  -6.305  -5.739   9.061
  126   HG13  VAL  15          HG13      VAL  15  -5.138  -4.978  10.142
  127   HG21  VAL  15          HG21      VAL  15  -3.761  -6.686   6.509
  128   HG22  VAL  15          HG22      VAL  15  -5.468  -6.806   6.938
  129   HG23  VAL  15          HG23      VAL  15  -4.264  -7.689   7.869
  130    H    GLU  16           HN       GLU  16  -2.656  -3.114   8.649
  131    HA   GLU  16           HA       GLU  16  -3.849  -1.821  10.808
  132    HB2  GLU  16           HB2      GLU  16  -1.429  -0.881   9.275
  133    HB3  GLU  16           HB1      GLU  16  -1.851  -0.438  10.917
  134    HG2  GLU  16           HG2      GLU  16  -1.584  -2.820  11.557
  135    HG3  GLU  16           HG1      GLU  16  -1.031  -3.138   9.918
  136    H    SER  17           HN       SER  17  -3.410  -0.776   7.501
  137    HA   SER  17           HA       SER  17  -4.117   1.938   8.094
  138    HB2  SER  17           HB2      SER  17  -3.519   0.598   5.471
  139    HB3  SER  17           HB1      SER  17  -3.648   2.338   5.758
  140    HG   SER  17           HG       SER  17  -1.709   0.516   6.645
  141    H    ALA  18           HN       ALA  18  -5.878  -0.823   7.447
  142    HA   ALA  18           HA       ALA  18  -8.008   0.421   5.985
  143    HB1  ALA  18           HB1      ALA  18  -7.946  -2.160   7.564
  144    HB2  ALA  18           HB2      ALA  18  -7.655  -2.003   5.829
  145    HB3  ALA  18           HB3      ALA  18  -9.254  -1.654   6.492
  146    H    GLY  19           HN       GLY  19  -9.054   2.021   6.927
  147    HA2  GLY  19           HA2      GLY  19  -9.081   2.551   9.679
  148    HA3  GLY  19           HA1      GLY  19 -10.131   3.309   8.487
  149    H    GLU  20           HN       GLU  20 -11.930   1.874   7.715
  150    HA   GLU  20           HA       GLU  20 -12.762  -0.244   9.417
  151    HB2  GLU  20           HB2      GLU  20 -13.420   1.788  10.786
  152    HB3  GLU  20           HB1      GLU  20 -14.502   2.233   9.470
  153    HG2  GLU  20           HG2      GLU  20 -15.775   0.204   9.777
  154    HG3  GLU  20           HG1      GLU  20 -14.636  -0.357  10.998
  155    H    THR  21           HN       THR  21 -13.269  -1.545   7.953
  156    HA   THR  21           HA       THR  21 -15.454  -0.960   6.178
  157    HB   THR  21           HB       THR  21 -13.480  -0.268   4.807
  158    HG1  THR  21           HG1      THR  21 -13.863  -1.563   3.018
  159   HG21  THR  21          HG21      THR  21 -12.495  -3.100   5.201
  160   HG22  THR  21          HG22      THR  21 -11.748  -1.656   5.875
  161   HG23  THR  21          HG23      THR  21 -11.767  -1.906   4.126
  162    H    ASP  22           HN       ASP  22 -14.978  -3.331   4.730
  163    HA   ASP  22           HA       ASP  22 -16.017  -5.124   6.708
  164    HB2  ASP  22           HB2      ASP  22 -17.006  -5.214   4.614
  165    HB3  ASP  22           HB1      ASP  22 -15.479  -5.482   3.755
  166    H    GLY  23           HN       GLY  23 -15.092  -6.582   7.657
  167    HA2  GLY  23           HA2      GLY  23 -12.487  -6.625   8.174
  168    HA3  GLY  23           HA1      GLY  23 -13.481  -8.052   8.477
  169    H    THR  24           HN       THR  24 -13.916  -8.315   5.460
  170    HA   THR  24           HA       THR  24 -13.115  -9.629   3.831
  171    HB   THR  24           HB       THR  24 -10.860  -8.596   2.848
  172    HG1  THR  24           HG1      THR  24 -11.701  -6.638   4.695
  173   HG21  THR  24          HG21      THR  24 -13.410  -7.000   3.068
  174   HG22  THR  24          HG22      THR  24 -13.087  -8.269   1.885
  175   HG23  THR  24          HG23      THR  24 -12.154  -6.772   1.850
  176    H    ASP  25           HN       ASP  25 -10.544 -10.411   2.949
  177    HA   ASP  25           HA       ASP  25  -9.111 -11.457   5.186
  178    HB2  ASP  25           HB2      ASP  25 -10.673 -13.339   4.670
  179    HB3  ASP  25           HB1      ASP  25 -10.130 -13.308   2.992
  180    H    LEU  26           HN       LEU  26  -6.967 -11.946   4.593
  181    HA   LEU  26           HA       LEU  26  -6.191 -11.001   1.923
  182    HB2  LEU  26           HB2      LEU  26  -6.204  -9.239   3.829
  183    HB3  LEU  26           HB1      LEU  26  -4.824 -10.121   4.457
  184    HG   LEU  26           HG       LEU  26  -3.659  -9.665   2.286
  185   HD11  LEU  26          HD11      LEU  26  -4.557  -7.892   0.860
  186   HD12  LEU  26          HD12      LEU  26  -6.028  -7.851   1.828
  187   HD13  LEU  26          HD13      LEU  26  -5.632  -9.290   0.900
  188   HD21  LEU  26          HD21      LEU  26  -3.224  -8.326   4.272
  189   HD22  LEU  26          HD22      LEU  26  -4.595  -7.289   3.884
  190   HD23  LEU  26          HD23      LEU  26  -3.177  -7.317   2.825
  191    H    SER  27           HN       SER  27  -6.374 -13.664   3.265
  192    HA   SER  27           HA       SER  27  -3.618 -14.298   3.938
  193    HB2  SER  27           HB2      SER  27  -6.073 -16.066   4.050
  194    HB3  SER  27           HB1      SER  27  -4.531 -16.310   4.882
  195    HG   SER  27           HG       SER  27  -6.681 -14.698   5.485
  196    H    GLY  28           HN       GLY  28  -2.340 -15.004   2.315
  197    HA2  GLY  28           HA2      GLY  28  -2.003 -16.940   0.842
  198    HA3  GLY  28           HA1      GLY  28  -3.620 -16.642   0.223
  199    H    ASP  29           HN       ASP  29  -3.441 -15.944  -1.821
  200    HA   ASP  29           HA       ASP  29  -1.170 -14.231  -2.440
  201    HB2  ASP  29           HB2      ASP  29  -1.413 -16.197  -3.876
  202    HB3  ASP  29           HB1      ASP  29  -3.038 -15.677  -4.325
  203    H    PHE  30           HN       PHE  30  -1.835 -12.363  -1.686
  204    HA   PHE  30           HA       PHE  30  -4.347 -11.300  -2.701
  205    HB2  PHE  30           HB2      PHE  30  -4.126  -9.565  -0.980
  206    HB3  PHE  30           HB1      PHE  30  -4.033 -11.170  -0.273
  207    HD1  PHE  30           HD2      PHE  30  -1.791 -12.070   0.406
  208    HD2  PHE  30           HD1      PHE  30  -2.369  -8.006  -0.729
  209    HE1  PHE  30           HE2      PHE  30   0.314 -11.461   1.521
  210    HE2  PHE  30           HE1      PHE  30  -0.266  -7.394   0.386
  211    HZ   PHE  30           HZ       PHE  30   1.087  -9.092   1.478
  212    H    LEU  31           HN       LEU  31  -1.427 -11.500  -3.890
  213    HA   LEU  31           HA       LEU  31  -0.671  -8.814  -4.364
  214    HB2  LEU  31           HB2      LEU  31   0.140 -11.401  -5.688
  215    HB3  LEU  31           HB1      LEU  31   0.807  -9.848  -6.126
  216    HG   LEU  31           HG       LEU  31   2.392 -10.896  -4.770
  217   HD11  LEU  31          HD11      LEU  31   2.588  -9.442  -2.817
  218   HD12  LEU  31          HD12      LEU  31   0.939  -8.885  -3.099
  219   HD13  LEU  31          HD13      LEU  31   2.189  -8.574  -4.303
  220   HD21  LEU  31          HD21      LEU  31   0.988 -12.628  -3.748
  221   HD22  LEU  31          HD22      LEU  31   0.251 -11.414  -2.695
  222   HD23  LEU  31          HD23      LEU  31   1.959 -11.792  -2.532
  223    H    ASP  32           HN       ASP  32  -2.596 -11.180  -5.998
  224    HA   ASP  32           HA       ASP  32  -3.119  -9.350  -8.208
  225    HB2  ASP  32           HB2      ASP  32  -3.498 -12.321  -7.864
  226    HB3  ASP  32           HB1      ASP  32  -4.235 -11.437  -9.194
  227    H    LEU  33           HN       LEU  33  -4.168  -9.210  -5.439
  228    HA   LEU  33           HA       LEU  33  -7.042  -9.347  -6.010
  229    HB2  LEU  33           HB2      LEU  33  -6.222 -10.631  -4.025
  230    HB3  LEU  33           HB1      LEU  33  -5.574  -9.155  -3.354
  231    HG   LEU  33           HG       LEU  33  -7.852  -8.281  -3.075
  232   HD11  LEU  33          HD11      LEU  33  -9.779  -9.740  -3.461
  233   HD12  LEU  33          HD12      LEU  33  -8.716 -10.977  -4.134
  234   HD13  LEU  33          HD13      LEU  33  -8.905  -9.433  -4.965
  235   HD21  LEU  33          HD21      LEU  33  -7.406 -11.042  -1.939
  236   HD22  LEU  33          HD22      LEU  33  -8.566  -9.860  -1.332
  237   HD23  LEU  33          HD23      LEU  33  -6.835  -9.518  -1.252
  238    H    ARG  34           HN       ARG  34  -8.102  -7.397  -6.112
  239    HA   ARG  34           HA       ARG  34  -6.267  -5.121  -6.251
  240    HB2  ARG  34           HB2      ARG  34  -9.026  -5.445  -7.424
  241    HB3  ARG  34           HB1      ARG  34  -7.937  -4.089  -7.704
  242    HG2  ARG  34           HG2      ARG  34  -6.345  -5.559  -8.800
  243    HG3  ARG  34           HG1      ARG  34  -7.372  -6.952  -8.456
  244    HD2  ARG  34           HD2      ARG  34  -7.659  -6.233 -10.749
  245    HD3  ARG  34           HD1      ARG  34  -9.138  -5.944  -9.836
  246    HE   ARG  34           HE       ARG  34  -7.166  -3.898 -10.583
  247   HH11  ARG  34          HH11      ARG  34 -10.536  -4.868  -9.993
  248   HH12  ARG  34          HH12      ARG  34 -11.147  -3.289 -10.194
  249   HH21  ARG  34          HH21      ARG  34  -8.035  -1.807 -10.960
  250   HH22  ARG  34          HH22      ARG  34  -9.711  -1.485 -10.845
  251    H    PHE  35           HN       PHE  35  -6.832  -3.044  -5.519
  252    HA   PHE  35           HA       PHE  35  -7.775  -2.975  -2.887
  253    HB2  PHE  35           HB2      PHE  35  -7.271  -0.702  -4.801
  254    HB3  PHE  35           HB1      PHE  35  -7.651  -0.483  -3.095
  255    HD1  PHE  35           HD2      PHE  35  -6.085  -1.505  -1.393
  256    HD2  PHE  35           HD1      PHE  35  -5.093  -1.110  -5.506
  257    HE1  PHE  35           HE2      PHE  35  -3.702  -1.743  -0.838
  258    HE2  PHE  35           HE1      PHE  35  -2.715  -1.337  -4.961
  259    HZ   PHE  35           HZ       PHE  35  -2.014  -1.657  -2.617
  260    H    GLU  36           HN       GLU  36  -9.503  -2.392  -5.846
  261    HA   GLU  36           HA       GLU  36 -11.732  -1.017  -4.781
  262    HB2  GLU  36           HB2      GLU  36 -11.719  -2.945  -7.104
  263    HB3  GLU  36           HB1      GLU  36 -12.913  -1.703  -6.782
  264    HG2  GLU  36           HG2      GLU  36 -11.180   0.013  -7.153
  265    HG3  GLU  36           HG1      GLU  36 -10.036  -1.266  -7.571
  266    H    ASP  37           HN       ASP  37 -10.938  -4.391  -5.141
  267    HA   ASP  37           HA       ASP  37 -13.492  -5.488  -4.501
  268    HB2  ASP  37           HB2      ASP  37 -11.657  -6.573  -5.873
  269    HB3  ASP  37           HB1      ASP  37 -10.776  -6.811  -4.368
  270    H    ILE  38           HN       ILE  38 -10.501  -4.828  -2.798
  271    HA   ILE  38           HA       ILE  38 -11.599  -5.911  -0.362
  272    HB   ILE  38           HB       ILE  38  -9.364  -5.494   0.676
  273   HG12  ILE  38          HG12      ILE  38  -8.599  -4.628  -2.133
  274   HG13  ILE  38          HG11      ILE  38  -8.659  -3.589  -0.716
  275   HG21  ILE  38          HG21      ILE  38  -9.343  -7.048  -1.908
  276   HG22  ILE  38          HG22      ILE  38  -9.943  -7.628  -0.354
  277   HG23  ILE  38          HG23      ILE  38  -8.230  -7.274  -0.560
  278   HD11  ILE  38          HD11      ILE  38  -6.364  -4.199  -1.247
  279   HD12  ILE  38          HD12      ILE  38  -6.760  -5.910  -1.114
  280   HD13  ILE  38          HD13      ILE  38  -6.843  -4.875   0.308
  281    H    GLY  39           HN       GLY  39 -12.347  -3.259  -1.675
  282    HA2  GLY  39           HA2      GLY  39 -13.458  -1.417  -0.883
  283    HA3  GLY  39           HA1      GLY  39 -13.334  -2.125   0.703
  284    H    TYR  40           HN       TYR  40 -10.625  -1.022  -1.342
  285    HA   TYR  40           HA       TYR  40 -10.057   0.871   0.797
  286    HB2  TYR  40           HB2      TYR  40  -8.218  -0.265  -1.330
  287    HB3  TYR  40           HB1      TYR  40  -7.845   1.195  -0.438
  288    HD1  TYR  40           HD2      TYR  40  -9.148  -2.177   0.400
  289    HD2  TYR  40           HD1      TYR  40  -6.418   0.930   1.319
  290    HE1  TYR  40           HE2      TYR  40  -8.287  -3.516   2.234
  291    HE2  TYR  40           HE1      TYR  40  -5.517  -0.382   3.175
  292    HH   TYR  40           HH       TYR  40  -6.326  -3.699   3.697
  293    H    ASP  41           HN       ASP  41 -10.497   2.824   0.663
  294    HA   ASP  41           HA       ASP  41 -11.324   4.039  -1.838
  295    HB2  ASP  41           HB2      ASP  41 -11.169   5.209   0.967
  296    HB3  ASP  41           HB1      ASP  41 -11.898   5.987  -0.438
  297    H    SER  42           HN       SER  42 -10.491   6.464  -2.009
  298    HA   SER  42           HA       SER  42  -7.777   6.307  -2.656
  299    HB2  SER  42           HB2      SER  42  -7.971   8.775  -2.966
  300    HB3  SER  42           HB1      SER  42  -9.274   7.872  -3.751
  301    H    LEU  43           HN       LEU  43  -9.415   7.900   0.010
  302    HA   LEU  43           HA       LEU  43  -7.178   8.855   1.384
  303    HB2  LEU  43           HB2      LEU  43  -9.841   8.000   2.516
  304    HB3  LEU  43           HB1      LEU  43  -8.641   8.926   3.380
  305    HG   LEU  43           HG       LEU  43 -10.066   9.854   0.895
  306   HD11  LEU  43          HD11      LEU  43 -11.565   9.733   2.830
  307   HD12  LEU  43          HD12      LEU  43 -11.204  11.410   2.421
  308   HD13  LEU  43          HD13      LEU  43 -10.403  10.642   3.793
  309   HD21  LEU  43          HD21      LEU  43  -7.829  10.799   1.096
  310   HD22  LEU  43          HD22      LEU  43  -8.176  11.276   2.761
  311   HD23  LEU  43          HD23      LEU  43  -9.057  12.027   1.429
  312    H    ALA  44           HN       ALA  44  -8.674   5.698   1.437
  313    HA   ALA  44           HA       ALA  44  -7.257   4.726   3.714
  314    HB1  ALA  44           HB1      ALA  44  -9.361   3.697   2.968
  315    HB2  ALA  44           HB2      ALA  44  -8.061   2.510   3.047
  316    HB3  ALA  44           HB3      ALA  44  -8.570   3.159   1.487
  317    H    LEU  45           HN       LEU  45  -6.641   4.802   0.279
  318    HA   LEU  45           HA       LEU  45  -4.409   3.079   0.231
  319    HB2  LEU  45           HB2      LEU  45  -5.803   4.141  -1.717
  320    HB3  LEU  45           HB1      LEU  45  -4.743   5.509  -1.530
  321    HG   LEU  45           HG       LEU  45  -3.799   4.443  -3.298
  322   HD11  LEU  45          HD11      LEU  45  -1.781   3.273  -2.742
  323   HD12  LEU  45          HD12      LEU  45  -2.357   3.081  -1.086
  324   HD13  LEU  45          HD13      LEU  45  -2.033   4.702  -1.726
  325   HD21  LEU  45          HD21      LEU  45  -5.271   2.573  -3.358
  326   HD22  LEU  45          HD22      LEU  45  -4.286   1.746  -2.106
  327   HD23  LEU  45          HD23      LEU  45  -3.592   2.165  -3.689
  328    H    MET  46           HN       MET  46  -4.825   6.591   0.619
  329    HA   MET  46           HA       MET  46  -2.117   7.418   0.723
  330    HB2  MET  46           HB2      MET  46  -4.202   8.712   2.461
  331    HB3  MET  46           HB1      MET  46  -2.833   9.457   1.659
  332    HG2  MET  46           HG2      MET  46  -3.993   8.915  -0.503
  333    HG3  MET  46           HG1      MET  46  -5.349   8.448   0.534
  334    HE1  MET  46           HE1      MET  46  -3.050  11.461  -0.578
  335    HE2  MET  46           HE2      MET  46  -2.862  11.450   1.178
  336    HE3  MET  46           HE3      MET  46  -3.706  12.785   0.386
  337    H    GLU  47           HN       GLU  47  -4.394   6.562   3.196
  338    HA   GLU  47           HA       GLU  47  -2.887   6.791   5.480
  339    HB2  GLU  47           HB2      GLU  47  -5.278   5.755   4.511
  340    HB3  GLU  47           HB1      GLU  47  -4.662   4.590   5.719
  341    HG2  GLU  47           HG2      GLU  47  -5.156   7.554   6.094
  342    HG3  GLU  47           HG1      GLU  47  -6.182   6.263   6.715
  343    H    THR  48           HN       THR  48  -3.190   4.057   3.255
  344    HA   THR  48           HA       THR  48  -1.577   2.215   4.640
  345    HB   THR  48           HB       THR  48  -2.128   2.486   1.659
  346    HG1  THR  48           HG1      THR  48  -4.062   2.236   2.863
  347   HG21  THR  48          HG21      THR  48  -1.622   0.093   1.547
  348   HG22  THR  48          HG22      THR  48  -1.230   0.088   3.277
  349   HG23  THR  48          HG23      THR  48  -0.221   0.984   2.142
  350    H    ALA  49           HN       ALA  49  -0.838   4.352   1.874
  351    HA   ALA  49           HA       ALA  49   1.881   3.796   1.671
  352    HB1  ALA  49           HB1      ALA  49   0.595   4.995  -0.057
  353    HB2  ALA  49           HB2      ALA  49   2.071   5.843   0.382
  354    HB3  ALA  49           HB3      ALA  49   0.518   6.408   0.996
  355    H    ALA  50           HN       ALA  50   0.264   6.364   3.516
  356    HA   ALA  50           HA       ALA  50   2.554   7.643   4.483
  357    HB1  ALA  50           HB1      ALA  50   0.311   8.621   4.564
  358    HB2  ALA  50           HB2      ALA  50   1.103   8.668   6.139
  359    HB3  ALA  50           HB3      ALA  50  -0.149   7.464   5.814
  360    H    ARG  51           HN       ARG  51   0.868   4.817   5.651
  361    HA   ARG  51           HA       ARG  51   2.074   4.726   8.183
  362    HB2  ARG  51           HB2      ARG  51   0.032   3.450   7.672
  363    HB3  ARG  51           HB1      ARG  51   0.899   2.493   6.494
  364    HG2  ARG  51           HG2      ARG  51   0.449   1.191   8.473
  365    HG3  ARG  51           HG1      ARG  51   2.187   1.443   8.307
  366    HD2  ARG  51           HD2      ARG  51   0.938   1.667  10.554
  367    HD3  ARG  51           HD1      ARG  51   2.275   2.753  10.289
  368    HE   ARG  51           HE       ARG  51  -0.199   3.843   9.341
  369   HH11  ARG  51          HH11      ARG  51   1.255   3.078  12.473
  370   HH12  ARG  51          HH12      ARG  51   0.645   4.473  13.242
  371   HH21  ARG  51          HH21      ARG  51  -0.987   5.712  10.340
  372   HH22  ARG  51          HH22      ARG  51  -0.684   6.026  12.004
  373    H    LEU  52           HN       LEU  52   2.856   3.488   5.053
  374    HA   LEU  52           HA       LEU  52   5.177   2.009   5.796
  375    HB2  LEU  52           HB2      LEU  52   4.253   3.043   3.121
  376    HB3  LEU  52           HB1      LEU  52   5.523   1.852   3.376
  377    HG   LEU  52           HG       LEU  52   2.662   1.431   4.213
  378   HD11  LEU  52          HD11      LEU  52   4.061   0.483   1.731
  379   HD12  LEU  52          HD12      LEU  52   2.766   1.683   1.819
  380   HD13  LEU  52          HD13      LEU  52   2.448   0.005   2.262
  381   HD21  LEU  52          HD21      LEU  52   4.304   0.104   5.441
  382   HD22  LEU  52          HD22      LEU  52   4.994  -0.466   3.921
  383   HD23  LEU  52          HD23      LEU  52   3.346  -0.916   4.366
  384    H    GLU  53           HN       GLU  53   4.524   5.226   4.480
  385    HA   GLU  53           HA       GLU  53   7.148   6.146   4.125
  386    HB2  GLU  53           HB2      GLU  53   4.762   7.746   5.065
  387    HB3  GLU  53           HB1      GLU  53   6.254   8.420   4.444
  388    HG2  GLU  53           HG2      GLU  53   5.777   7.364   2.271
  389    HG3  GLU  53           HG1      GLU  53   4.237   6.774   2.924
  390    H    SER  54           HN       SER  54   5.085   6.165   6.965
  391    HA   SER  54           HA       SER  54   6.808   7.572   8.671
  392    HB2  SER  54           HB2      SER  54   4.682   5.535   9.365
  393    HB3  SER  54           HB1      SER  54   5.402   6.679  10.484
  394    HG   SER  54           HG       SER  54   3.960   7.399   8.122
  395    H    ARG  55           HN       ARG  55   6.686   4.182   7.792
  396    HA   ARG  55           HA       ARG  55   8.534   3.494   9.920
  397    HB2  ARG  55           HB2      ARG  55   6.713   1.924   9.266
  398    HB3  ARG  55           HB1      ARG  55   7.517   1.697   7.717
  399    HG2  ARG  55           HG2      ARG  55   9.541   0.932   8.972
  400    HG3  ARG  55           HG1      ARG  55   8.569   0.974  10.440
  401    HD2  ARG  55           HD2      ARG  55   8.090  -0.703   7.989
  402    HD3  ARG  55           HD1      ARG  55   8.652  -1.264   9.557
  403    HE   ARG  55           HE       ARG  55   6.262  -0.127  10.121
  404   HH11  ARG  55          HH11      ARG  55   7.424  -2.590   7.909
  405   HH12  ARG  55          HH12      ARG  55   6.045  -3.487   7.760
  406   HH21  ARG  55          HH21      ARG  55   4.157  -1.308  10.005
  407   HH22  ARG  55          HH22      ARG  55   4.064  -2.704   9.037
  408    H    TYR  56           HN       TYR  56   8.579   3.544   6.348
  409    HA   TYR  56           HA       TYR  56  11.364   2.740   6.422
  410    HB2  TYR  56           HB2      TYR  56   9.462   3.013   4.103
  411    HB3  TYR  56           HB1      TYR  56  11.149   2.513   3.946
  412    HD1  TYR  56           HD1      TYR  56  11.896   0.378   5.054
  413    HD2  TYR  56           HD2      TYR  56   7.789   1.468   4.799
  414    HE1  TYR  56           HE1      TYR  56  11.252  -1.971   5.465
  415    HE2  TYR  56           HE2      TYR  56   7.143  -0.857   5.221
  416    HH   TYR  56           HH       TYR  56   9.362  -3.306   6.208
  417    H    GLY  57           HN       GLY  57   9.608   5.668   5.960
  418    HA2  GLY  57           HA2      GLY  57  10.570   7.774   5.940
  419    HA3  GLY  57           HA1      GLY  57  12.136   7.024   5.653
  420    H    VAL  58           HN       VAL  58   9.027   7.157   3.940
  421    HA   VAL  58           HA       VAL  58  10.527   8.081   1.616
  422    HB   VAL  58           HB       VAL  58   9.031   6.818   0.082
  423   HG11  VAL  58          HG11      VAL  58  10.518   5.093   2.055
  424   HG12  VAL  58          HG12      VAL  58  11.197   5.883   0.630
  425   HG13  VAL  58          HG13      VAL  58  10.004   4.599   0.441
  426   HG21  VAL  58          HG21      VAL  58   7.097   6.516   1.527
  427   HG22  VAL  58          HG22      VAL  58   8.033   5.473   2.597
  428   HG23  VAL  58          HG23      VAL  58   7.674   4.956   0.952
  429    H    SER  59           HN       SER  59   8.681   8.764  -0.151
  430    HA   SER  59           HA       SER  59   6.470  10.100   1.082
  431    HB2  SER  59           HB2      SER  59   8.681  11.652  -0.301
  432    HB3  SER  59           HB1      SER  59   7.154  12.339   0.254
  433    HG   SER  59           HG       SER  59   8.249  11.003   2.236
  434    H    ILE  60           HN       ILE  60   4.920   9.502  -0.242
  435    HA   ILE  60           HA       ILE  60   5.490   9.394  -3.131
  436    HB   ILE  60           HB       ILE  60   3.282   8.034  -1.549
  437   HG12  ILE  60          HG12      ILE  60   5.630   6.865  -3.064
  438   HG13  ILE  60          HG11      ILE  60   5.474   6.956  -1.319
  439   HG21  ILE  60          HG21      ILE  60   2.419   8.721  -3.718
  440   HG22  ILE  60          HG22      ILE  60   2.591   6.967  -3.655
  441   HG23  ILE  60          HG23      ILE  60   3.773   7.937  -4.533
  442   HD11  ILE  60          HD11      ILE  60   4.979   4.733  -2.119
  443   HD12  ILE  60          HD12      ILE  60   3.729   5.367  -3.181
  444   HD13  ILE  60          HD13      ILE  60   3.534   5.471  -1.426
  445    HA   PRO  61           HA       PRO  61   3.016  13.106  -3.614
  446    HB2  PRO  61           HB2      PRO  61   2.596  11.836  -6.285
  447    HB3  PRO  61           HB1      PRO  61   3.060  13.500  -5.904
  448    HG2  PRO  61           HG2      PRO  61   4.882  11.801  -6.794
  449    HG3  PRO  61           HG1      PRO  61   5.273  12.933  -5.482
  450    HD2  PRO  61           HD2      PRO  61   4.680  10.001  -5.353
  451    HD3  PRO  61           HD1      PRO  61   5.848  10.962  -4.415
  452    H    ASP  62           HN       ASP  62   0.969  13.440  -3.189
  453    HA   ASP  62           HA       ASP  62  -0.830  11.759  -2.122
  454    HB2  ASP  62           HB2      ASP  62  -1.560  14.156  -3.789
  455    HB3  ASP  62           HB1      ASP  62  -2.514  13.435  -2.495
  456    H    ASP  63           HN       ASP  63  -1.019  12.929  -5.442
  457    HA   ASP  63           HA       ASP  63  -3.409  11.554  -6.069
  458    HB2  ASP  63           HB2      ASP  63  -2.697  13.580  -7.245
  459    HB3  ASP  63           HB1      ASP  63  -1.328  12.708  -7.913
  460    H    VAL  64           HN       VAL  64  -0.089  10.658  -6.288
  461    HA   VAL  64           HA       VAL  64  -0.393   8.679  -8.298
  462    HB   VAL  64           HB       VAL  64   1.908   9.029  -6.350
  463   HG11  VAL  64          HG11      VAL  64   1.947   6.807  -7.343
  464   HG12  VAL  64          HG12      VAL  64   3.270   7.792  -7.971
  465   HG13  VAL  64          HG13      VAL  64   1.834   7.503  -8.956
  466   HG21  VAL  64          HG21      VAL  64   1.566  11.022  -7.661
  467   HG22  VAL  64          HG22      VAL  64   1.516  10.083  -9.149
  468   HG23  VAL  64          HG23      VAL  64   3.015  10.194  -8.232
  469    H    ALA  65           HN       ALA  65  -1.056   8.584  -4.911
  470    HA   ALA  65           HA       ALA  65  -0.583   5.829  -4.526
  471    HB1  ALA  65           HB1      ALA  65  -1.819   6.175  -2.432
  472    HB2  ALA  65           HB2      ALA  65  -2.295   7.781  -2.977
  473    HB3  ALA  65           HB3      ALA  65  -0.597   7.421  -2.668
  474    H    GLY  66           HN       GLY  66  -3.267   7.853  -5.476
  475    HA2  GLY  66           HA2      GLY  66  -5.124   5.612  -5.488
  476    HA3  GLY  66           HA1      GLY  66  -5.494   7.287  -5.887
  477    H    ARG  67           HN       ARG  67  -2.734   5.768  -7.361
  478    HA   ARG  67           HA       ARG  67  -4.251   5.506  -9.833
  479    HB2  ARG  67           HB2      ARG  67  -1.357   6.273  -9.458
  480    HB3  ARG  67           HB1      ARG  67  -2.171   6.057 -10.996
  481    HG2  ARG  67           HG2      ARG  67  -3.709   7.917 -10.370
  482    HG3  ARG  67           HG1      ARG  67  -2.749   8.169  -8.914
  483    HD2  ARG  67           HD2      ARG  67  -2.038   9.745 -10.568
  484    HD3  ARG  67           HD1      ARG  67  -0.764   8.537 -10.385
  485    HE   ARG  67           HE       ARG  67  -2.259   7.541 -12.385
  486   HH11  ARG  67          HH11      ARG  67  -0.719  10.767 -11.982
  487   HH12  ARG  67          HH12      ARG  67  -0.634  10.984 -13.678
  488   HH21  ARG  67          HH21      ARG  67  -2.035   7.952 -14.650
  489   HH22  ARG  67          HH22      ARG  67  -1.310   9.426 -15.162
  490    H    VAL  68           HN       VAL  68  -2.915   3.728  -7.427
  491    HA   VAL  68           HA       VAL  68  -1.743   1.815  -9.247
  492    HB   VAL  68           HB       VAL  68  -0.999   0.500  -7.319
  493   HG11  VAL  68          HG11      VAL  68   0.501   2.117  -8.296
  494   HG12  VAL  68          HG12      VAL  68   0.728   2.100  -6.550
  495   HG13  VAL  68          HG13      VAL  68  -0.187   3.400  -7.307
  496   HG21  VAL  68          HG21      VAL  68  -1.066   1.448  -5.058
  497   HG22  VAL  68          HG22      VAL  68  -2.700   1.142  -5.675
  498   HG23  VAL  68          HG23      VAL  68  -2.056   2.783  -5.644
  499    H    ASP  69           HN       ASP  69  -2.333  -0.279  -9.347
  500    HA   ASP  69           HA       ASP  69  -5.241  -0.595  -9.056
  501    HB2  ASP  69           HB2      ASP  69  -3.887  -0.945 -11.268
  502    HB3  ASP  69           HB1      ASP  69  -3.462  -2.477 -10.546
  503    H    THR  70           HN       THR  70  -2.263  -2.467  -8.528
  504    HA   THR  70           HA       THR  70  -3.743  -4.134  -6.652
  505    HB   THR  70           HB       THR  70  -2.267  -6.018  -7.404
  506    HG1  THR  70           HG1      THR  70  -1.360  -5.448  -9.651
  507   HG21  THR  70          HG21      THR  70  -3.857  -4.646  -9.568
  508   HG22  THR  70          HG22      THR  70  -4.501  -5.775  -8.359
  509   HG23  THR  70          HG23      THR  70  -3.383  -6.346  -9.599
  510    HA   PRO  71           HA       PRO  71  -0.920  -3.412  -3.326
  511    HB2  PRO  71           HB2      PRO  71  -0.149  -6.294  -3.549
  512    HB3  PRO  71           HB1      PRO  71  -0.573  -5.353  -2.113
  513    HG2  PRO  71           HG2      PRO  71  -2.359  -6.957  -3.142
  514    HG3  PRO  71           HG1      PRO  71  -2.846  -5.318  -2.663
  515    HD2  PRO  71           HD2      PRO  71  -2.324  -6.425  -5.387
  516    HD3  PRO  71           HD1      PRO  71  -3.574  -5.282  -4.855
  517    H    ARG  72           HN       ARG  72   0.505  -5.477  -5.817
  518    HA   ARG  72           HA       ARG  72   3.173  -4.970  -5.031
  519    HB2  ARG  72           HB2      ARG  72   3.825  -5.980  -7.227
  520    HB3  ARG  72           HB1      ARG  72   2.789  -6.971  -6.218
  521    HG2  ARG  72           HG2      ARG  72   0.857  -6.270  -7.589
  522    HG3  ARG  72           HG1      ARG  72   1.977  -5.387  -8.637
  523    HD2  ARG  72           HD2      ARG  72   3.105  -7.394  -9.249
  524    HD3  ARG  72           HD1      ARG  72   2.218  -8.327  -8.047
  525    HE   ARG  72           HE       ARG  72   0.949  -7.043 -10.349
  526   HH11  ARG  72          HH11      ARG  72   1.536  -9.987  -8.415
  527   HH12  ARG  72          HH12      ARG  72   0.151 -10.783  -9.007
  528   HH21  ARG  72          HH21      ARG  72  -0.914  -8.157 -11.129
  529   HH22  ARG  72          HH22      ARG  72  -1.228  -9.769 -10.597
  530    H    GLU  73           HN       GLU  73   1.035  -3.205  -7.095
  531    HA   GLU  73           HA       GLU  73   3.033  -1.683  -8.415
  532    HB2  GLU  73           HB2      GLU  73   0.200  -0.807  -7.802
  533    HB3  GLU  73           HB1      GLU  73   1.226  -0.282  -9.131
  534    HG2  GLU  73           HG2      GLU  73   0.071  -3.034  -8.776
  535    HG3  GLU  73           HG1      GLU  73  -0.534  -1.790  -9.868
  536    H    LEU  74           HN       LEU  74   1.232  -1.427  -5.449
  537    HA   LEU  74           HA       LEU  74   2.121   1.167  -4.690
  538    HB2  LEU  74           HB2      LEU  74   0.015   0.015  -3.907
  539    HB3  LEU  74           HB1      LEU  74   1.006  -1.073  -2.978
  540    HG   LEU  74           HG       LEU  74  -0.163   0.745  -1.687
  541   HD11  LEU  74          HD11      LEU  74   1.708  -0.431  -0.711
  542   HD12  LEU  74          HD12      LEU  74   1.754   1.272  -0.243
  543   HD13  LEU  74          HD13      LEU  74   2.833   0.668  -1.504
  544   HD21  LEU  74          HD21      LEU  74   1.867   2.506  -3.062
  545   HD22  LEU  74          HD22      LEU  74   0.828   2.997  -1.725
  546   HD23  LEU  74          HD23      LEU  74   0.120   2.559  -3.272
  547    H    LEU  75           HN       LEU  75   3.128  -2.143  -3.983
  548    HA   LEU  75           HA       LEU  75   5.232  -1.925  -2.187
  549    HB2  LEU  75           HB2      LEU  75   4.583  -3.692  -4.440
  550    HB3  LEU  75           HB1      LEU  75   6.270  -3.642  -4.022
  551    HG   LEU  75           HG       LEU  75   5.080  -5.490  -3.101
  552   HD11  LEU  75          HD11      LEU  75   5.877  -5.260  -0.770
  553   HD12  LEU  75          HD12      LEU  75   6.021  -3.525  -1.020
  554   HD13  LEU  75          HD13      LEU  75   7.042  -4.633  -1.936
  555   HD21  LEU  75          HD21      LEU  75   3.548  -3.449  -1.539
  556   HD22  LEU  75          HD22      LEU  75   3.503  -5.188  -1.240
  557   HD23  LEU  75          HD23      LEU  75   2.907  -4.539  -2.766
  558    H    ASP  76           HN       ASP  76   5.284  -1.671  -5.626
  559    HA   ASP  76           HA       ASP  76   8.044  -1.195  -5.936
  560    HB2  ASP  76           HB2      ASP  76   6.771  -2.153  -7.749
  561    HB3  ASP  76           HB1      ASP  76   5.753  -0.722  -7.838
  562    H    LEU  77           HN       LEU  77   5.314   0.940  -5.572
  563    HA   LEU  77           HA       LEU  77   6.615   3.360  -6.189
  564    HB2  LEU  77           HB2      LEU  77   4.371   2.713  -4.328
  565    HB3  LEU  77           HB1      LEU  77   4.917   4.344  -4.592
  566    HG   LEU  77           HG       LEU  77   3.694   2.488  -6.610
  567   HD11  LEU  77          HD11      LEU  77   2.724   5.058  -5.346
  568   HD12  LEU  77          HD12      LEU  77   2.116   3.442  -4.991
  569   HD13  LEU  77          HD13      LEU  77   1.861   4.141  -6.586
  570   HD21  LEU  77          HD21      LEU  77   5.373   3.903  -7.686
  571   HD22  LEU  77          HD22      LEU  77   4.648   5.331  -6.940
  572   HD23  LEU  77          HD23      LEU  77   3.746   4.415  -8.141
  573    H    ILE  78           HN       ILE  78   6.111   1.713  -3.106
  574    HA   ILE  78           HA       ILE  78   7.513   3.550  -1.504
  575    HB   ILE  78           HB       ILE  78   7.045   0.595  -1.053
  576   HG12  ILE  78          HG12      ILE  78   4.964   1.928  -1.272
  577   HG13  ILE  78          HG11      ILE  78   5.167   1.269   0.341
  578   HG21  ILE  78          HG21      ILE  78   7.481   1.050   1.336
  579   HG22  ILE  78          HG22      ILE  78   7.904   2.712   0.928
  580   HG23  ILE  78          HG23      ILE  78   8.894   1.384   0.335
  581   HD11  ILE  78          HD11      ILE  78   4.317   3.544   0.405
  582   HD12  ILE  78          HD12      ILE  78   5.737   4.111  -0.477
  583   HD13  ILE  78          HD13      ILE  78   5.917   3.444   1.146
  584    H    ASN  79           HN       ASN  79   8.504   0.380  -2.787
  585    HA   ASN  79           HA       ASN  79  11.165   0.572  -1.874
  586    HB2  ASN  79           HB2      ASN  79   9.996  -1.174  -4.042
  587    HB3  ASN  79           HB1      ASN  79  11.662  -1.281  -3.491
  588   HD21  ASN  79          HD21      ASN  79   9.616  -3.272  -3.391
  589   HD22  ASN  79          HD22      ASN  79   9.408  -3.720  -1.724
  590    H    GLY  80           HN       GLY  80   9.662   1.812  -4.733
  591    HA2  GLY  80           HA2      GLY  80  12.038   2.270  -6.196
  592    HA3  GLY  80           HA1      GLY  80  10.492   3.085  -6.428
  593    H    ALA  81           HN       ALA  81  10.065   4.259  -4.038
  594    HA   ALA  81           HA       ALA  81  11.750   6.543  -4.173
  595    HB1  ALA  81           HB1      ALA  81  10.413   7.397  -2.311
  596    HB2  ALA  81           HB2      ALA  81   9.716   5.804  -2.066
  597    HB3  ALA  81           HB3      ALA  81   9.370   6.696  -3.545
  598    H    LEU  82           HN       LEU  82  11.537   3.753  -2.011
  599    HA   LEU  82           HA       LEU  82  13.365   4.710  -0.098
  600    HB2  LEU  82           HB2      LEU  82  11.619   3.077   0.377
  601    HB3  LEU  82           HB1      LEU  82  12.354   1.934  -0.724
  602    HG   LEU  82           HG       LEU  82  14.290   1.830   0.669
  603   HD11  LEU  82          HD11      LEU  82  14.212   2.755   3.005
  604   HD12  LEU  82          HD12      LEU  82  12.709   3.577   2.585
  605   HD13  LEU  82          HD13      LEU  82  14.209   4.013   1.766
  606   HD21  LEU  82          HD21      LEU  82  11.698   1.206   2.085
  607   HD22  LEU  82          HD22      LEU  82  13.265   0.538   2.536
  608   HD23  LEU  82          HD23      LEU  82  12.574   0.167   0.958
  609    H    ALA  83           HN       ALA  83  13.701   3.230  -3.184
  610    HA   ALA  83           HA       ALA  83  16.380   2.264  -2.827
  611    HB1  ALA  83           HB1      ALA  83  16.406   2.096  -5.257
  612    HB2  ALA  83           HB2      ALA  83  14.955   3.080  -5.336
  613    HB3  ALA  83           HB3      ALA  83  14.874   1.458  -4.635
  614    H    GLU  84           HN       GLU  84  14.816   5.197  -3.705
  615    HA   GLU  84           HA       GLU  84  17.208   6.482  -4.722
  616    HB2  GLU  84           HB2      GLU  84  14.722   6.515  -5.605
  617    HB3  GLU  84           HB1      GLU  84  14.510   7.722  -4.363
  618    HG2  GLU  84           HG2      GLU  84  14.901   8.637  -6.524
  619    HG3  GLU  84           HG1      GLU  84  16.184   9.143  -5.410
  620    H    ALA  85           HN       ALA  85  16.431   5.702  -1.847
  621    HA   ALA  85           HA       ALA  85  17.524   7.940  -0.456
  622    HB1  ALA  85           HB1      ALA  85  15.110   8.534  -0.590
  623    HB2  ALA  85           HB2      ALA  85  15.594   8.194   1.059
  624    HB3  ALA  85           HB3      ALA  85  14.702   6.977   0.129
  625    H    ALA  86           HN       ALA  86  16.603   6.836   2.147
  626    HA   ALA  86           HA       ALA  86  16.691   4.111   2.367
  627    HB1  ALA  86           HB1      ALA  86  19.341   5.487   2.934
  628    HB2  ALA  86           HB2      ALA  86  19.065   4.253   1.705
  629    HB3  ALA  86           HB3      ALA  86  18.941   3.838   3.413
  630   H28A  SDO 101          H28A      SDO  42  -7.870  10.798  -2.316
  631   H28B  SDO 101          H28B      SDO  42  -8.378  11.240  -3.944
  632   H30A  SDO 101          H30A      SDO  42  -7.869  12.677  -0.549
  633   H30B  SDO 101          H30B      SDO  42  -9.355  13.349  -1.206
  634   H30C  SDO 101          H30C      SDO  42  -7.926  14.365  -1.074
  635   H31A  SDO 101          H31A      SDO  42  -5.976  12.149  -2.001
  636   H31B  SDO 101          H31B      SDO  42  -5.926  13.815  -2.576
  637   H31C  SDO 101          H31C      SDO  42  -6.046  12.484  -3.731
  638   H32A  SDO 101          H32A      SDO  42  -8.078  13.640  -4.746
  639   H33A  SDO 101          H33A      SDO  42  -7.182  15.132  -2.716
  640   H36A  SDO 101          H36A      SDO  42  -9.456  15.975  -3.066
  641   H37A  SDO 101          H37A      SDO  42 -11.552  16.982  -3.279
  642   H37B  SDO 101          H37B      SDO  42 -12.217  15.458  -3.895
  643   H38A  SDO 101          H38A      SDO  42 -13.095  16.085  -1.640
  644   H38B  SDO 101          H38B      SDO  42 -12.272  14.540  -1.677
  645   H41A  SDO 101          H41A      SDO  42 -11.917  14.590   0.512
  646   H42A  SDO 101          H42A      SDO  42  -9.435  15.666   1.321
  647   H42B  SDO 101          H42B      SDO  42 -10.779  16.509   2.121
  648   H43A  SDO 101          H43A      SDO  42 -10.203  13.555   2.119
  649   H43B  SDO 101          H43B      SDO  42 -11.551  14.324   2.928
  650    H1A  SDO 101           H1A      SDO  42  -8.916  16.572   5.345
  651    H1B  SDO 101           H1B      SDO  42  -7.565  15.802   4.539
  652    H2A  SDO 101           H2A      SDO  42  -9.672  17.458   3.215
  653    H2B  SDO 101           H2B      SDO  42  -8.299  16.737   2.423
  654    H4A  SDO 101           H4A      SDO  42  -7.248  19.860   5.140
  655    H4B  SDO 101           H4B      SDO  42  -5.886  19.098   4.366
  656    H5A  SDO 101           H5A      SDO  42  -6.378  17.008   5.529
  657    H5B  SDO 101           H5B      SDO  42  -7.682  17.823   6.397
  658    H6A  SDO 101           H6A      SDO  42  -6.049  19.459   7.253
  659    H6B  SDO 101           H6B      SDO  42  -4.765  18.569   6.448
  660    H8A  SDO 101           H8A      SDO  42  -5.769  15.549   8.732
  661    H8B  SDO 101           H8B      SDO  42  -6.662  15.997   7.271
  662    H8C  SDO 101           H8C      SDO  42  -7.249  16.499   8.862
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  18.447  -8.776   5.501
    2    H2   MET   1           HT2      MET   1  19.750  -9.791   5.663
    3    H3   MET   1           HT3      MET   1  19.247  -9.283   4.102
    4    HA   MET   1           HA       MET   1  20.241  -7.586   6.324
    5    HB2  MET   1           HB2      MET   1  22.224  -7.116   4.990
    6    HB3  MET   1           HB1      MET   1  22.077  -8.838   5.284
    7    HG2  MET   1           HG2      MET   1  21.325  -9.206   3.021
    8    HG3  MET   1           HG1      MET   1  21.263  -7.469   2.728
    9    HE1  MET   1           HE1      MET   1  24.049  -9.424   4.733
   10    HE2  MET   1           HE2      MET   1  25.202  -9.783   3.448
   11    HE3  MET   1           HE3      MET   1  23.616 -10.551   3.443
   12    H    ALA   2           HN       ALA   2  18.458  -7.744   3.338
   13    HA   ALA   2           HA       ALA   2  18.755  -4.923   2.868
   14    HB1  ALA   2           HB1      ALA   2  17.328  -5.351   0.922
   15    HB2  ALA   2           HB2      ALA   2  17.132  -7.029   1.444
   16    HB3  ALA   2           HB3      ALA   2  18.720  -6.437   0.954
   17    H    THR   3           HN       THR   3  17.599  -3.594   4.005
   18    HA   THR   3           HA       THR   3  15.216  -4.346   5.396
   19    HB   THR   3           HB       THR   3  16.311  -1.545   4.983
   20    HG1  THR   3           HG1      THR   3  18.024  -2.343   5.890
   21   HG21  THR   3          HG21      THR   3  15.329  -1.150   7.199
   22   HG22  THR   3          HG22      THR   3  14.804  -2.830   7.276
   23   HG23  THR   3          HG23      THR   3  14.093  -1.740   6.086
   24    H    LEU   4           HN       LEU   4  14.044  -5.001   3.463
   25    HA   LEU   4           HA       LEU   4  12.952  -2.757   1.909
   26    HB2  LEU   4           HB2      LEU   4  14.492  -4.272   0.642
   27    HB3  LEU   4           HB1      LEU   4  13.367  -5.584   0.953
   28    HG   LEU   4           HG       LEU   4  11.639  -4.326  -0.302
   29   HD11  LEU   4          HD11      LEU   4  12.341  -2.451  -1.727
   30   HD12  LEU   4          HD12      LEU   4  13.943  -2.507  -0.992
   31   HD13  LEU   4          HD13      LEU   4  12.540  -2.085  -0.012
   32   HD21  LEU   4          HD21      LEU   4  12.925  -6.088  -1.391
   33   HD22  LEU   4          HD22      LEU   4  14.185  -4.925  -1.805
   34   HD23  LEU   4          HD23      LEU   4  12.577  -4.780  -2.523
   35    H    LEU   5           HN       LEU   5  10.811  -2.724   1.620
   36    HA   LEU   5           HA       LEU   5   9.129  -4.198   3.431
   37    HB2  LEU   5           HB2      LEU   5   8.998  -1.717   2.601
   38    HB3  LEU   5           HB1      LEU   5   8.243  -2.395   1.180
   39    HG   LEU   5           HG       LEU   5   7.159  -2.488   4.002
   40   HD11  LEU   5          HD11      LEU   5   7.031  -0.302   3.070
   41   HD12  LEU   5          HD12      LEU   5   5.413  -1.036   3.060
   42   HD13  LEU   5          HD13      LEU   5   6.360  -0.936   1.575
   43   HD21  LEU   5          HD21      LEU   5   5.108  -3.378   3.018
   44   HD22  LEU   5          HD22      LEU   5   6.466  -4.471   2.754
   45   HD23  LEU   5          HD23      LEU   5   5.893  -3.447   1.440
   46    H    THR   6           HN       THR   6   8.407  -6.234   2.863
   47    HA   THR   6           HA       THR   6   8.213  -6.868   0.031
   48    HB   THR   6           HB       THR   6   8.227  -9.246   0.910
   49    HG1  THR   6           HG1      THR   6   9.586  -8.811   3.146
   50   HG21  THR   6          HG21      THR   6  10.670  -7.506   1.376
   51   HG22  THR   6          HG22      THR   6  10.187  -8.220  -0.163
   52   HG23  THR   6          HG23      THR   6  10.686  -9.256   1.174
   53    H    THR   7           HN       THR   7   6.607  -9.045   0.013
   54    HA   THR   7           HA       THR   7   4.023  -7.984   0.054
   55    HB   THR   7           HB       THR   7   4.812 -10.909  -0.026
   56    HG1  THR   7           HG1      THR   7   5.094 -10.505  -2.308
   57   HG21  THR   7          HG21      THR   7   2.909 -11.077  -1.561
   58   HG22  THR   7          HG22      THR   7   2.652  -9.340  -1.460
   59   HG23  THR   7          HG23      THR   7   2.387 -10.353  -0.036
   60    H    ASP   8           HN       ASP   8   5.667 -10.407   2.097
   61    HA   ASP   8           HA       ASP   8   3.560 -10.971   3.890
   62    HB2  ASP   8           HB2      ASP   8   6.556 -11.139   4.248
   63    HB3  ASP   8           HB1      ASP   8   5.442 -11.610   5.512
   64    H    ASP   9           HN       ASP   9   5.959  -8.458   3.880
   65    HA   ASP   9           HA       ASP   9   5.357  -7.498   6.494
   66    HB2  ASP   9           HB2      ASP   9   7.541  -7.086   5.463
   67    HB3  ASP   9           HB1      ASP   9   6.774  -6.118   4.211
   68    H    LEU  10           HN       LEU  10   4.520  -6.461   3.226
   69    HA   LEU  10           HA       LEU  10   2.917  -4.262   3.910
   70    HB2  LEU  10           HB2      LEU  10   3.647  -4.656   1.619
   71    HB3  LEU  10           HB1      LEU  10   2.668  -6.111   1.534
   72    HG   LEU  10           HG       LEU  10   0.638  -4.680   1.818
   73   HD11  LEU  10          HD11      LEU  10   1.615  -2.787   2.924
   74   HD12  LEU  10          HD12      LEU  10   0.811  -2.284   1.437
   75   HD13  LEU  10          HD13      LEU  10   2.569  -2.400   1.490
   76   HD21  LEU  10          HD21      LEU  10   2.391  -3.999  -0.538
   77   HD22  LEU  10          HD22      LEU  10   0.633  -3.813  -0.473
   78   HD23  LEU  10          HD23      LEU  10   1.357  -5.420  -0.405
   79    H    ARG  11           HN       ARG  11   2.181  -7.674   3.649
   80    HA   ARG  11           HA       ARG  11  -0.577  -7.679   3.790
   81    HB2  ARG  11           HB2      ARG  11   0.863  -9.677   3.417
   82    HB3  ARG  11           HB1      ARG  11   1.289  -9.668   5.116
   83    HG2  ARG  11           HG2      ARG  11  -1.002 -10.148   5.737
   84    HG3  ARG  11           HG1      ARG  11  -1.504 -10.065   4.043
   85    HD2  ARG  11           HD2      ARG  11  -1.245 -12.382   4.724
   86    HD3  ARG  11           HD1      ARG  11  -0.002 -11.972   3.542
   87    HE   ARG  11           HE       ARG  11   0.799 -11.636   6.281
   88   HH11  ARG  11          HH11      ARG  11   0.799 -13.938   3.545
   89   HH12  ARG  11          HH12      ARG  11   2.024 -14.893   4.207
   90   HH21  ARG  11          HH21      ARG  11   2.417 -12.943   7.149
   91   HH22  ARG  11          HH22      ARG  11   2.968 -14.357   6.359
   92    H    ARG  12           HN       ARG  12   1.753  -7.174   6.329
   93    HA   ARG  12           HA       ARG  12  -0.001  -7.474   8.552
   94    HB2  ARG  12           HB2      ARG  12   2.478  -5.766   8.332
   95    HB3  ARG  12           HB1      ARG  12   1.711  -6.278   9.826
   96    HG2  ARG  12           HG2      ARG  12   2.264  -8.598   9.313
   97    HG3  ARG  12           HG1      ARG  12   3.003  -8.084   7.795
   98    HD2  ARG  12           HD2      ARG  12   4.590  -6.697   9.077
   99    HD3  ARG  12           HD1      ARG  12   3.856  -7.284  10.562
  100    HE   ARG  12           HE       ARG  12   4.659  -9.502   9.070
  101   HH11  ARG  12          HH11      ARG  12   6.065  -6.858  10.891
  102   HH12  ARG  12          HH12      ARG  12   7.565  -7.628  11.161
  103   HH21  ARG  12          HH21      ARG  12   6.588 -10.587   9.459
  104   HH22  ARG  12          HH22      ARG  12   7.873  -9.906  10.346
  105    H    ALA  13           HN       ALA  13   1.233  -4.580   6.911
  106    HA   ALA  13           HA       ALA  13  -0.366  -2.797   8.439
  107    HB1  ALA  13           HB1      ALA  13   1.062  -2.263   5.832
  108    HB2  ALA  13           HB2      ALA  13   1.763  -2.101   7.441
  109    HB3  ALA  13           HB3      ALA  13   0.442  -1.045   6.938
  110    H    LEU  14           HN       LEU  14  -0.809  -4.426   5.391
  111    HA   LEU  14           HA       LEU  14  -3.012  -2.861   4.568
  112    HB2  LEU  14           HB2      LEU  14  -1.451  -4.290   3.146
  113    HB3  LEU  14           HB1      LEU  14  -2.388  -5.669   3.688
  114    HG   LEU  14           HG       LEU  14  -4.400  -4.676   2.660
  115   HD11  LEU  14          HD11      LEU  14  -3.762  -2.330   2.797
  116   HD12  LEU  14          HD12      LEU  14  -4.132  -2.770   1.126
  117   HD13  LEU  14          HD13      LEU  14  -2.453  -2.601   1.649
  118   HD21  LEU  14          HD21      LEU  14  -3.728  -5.057   0.338
  119   HD22  LEU  14          HD22      LEU  14  -3.042  -6.273   1.419
  120   HD23  LEU  14          HD23      LEU  14  -2.033  -4.960   0.825
  121    H    VAL  15           HN       VAL  15  -2.652  -5.487   6.792
  122    HA   VAL  15           HA       VAL  15  -5.520  -5.917   6.940
  123    HB   VAL  15           HB       VAL  15  -3.267  -6.903   8.734
  124   HG11  VAL  15          HG11      VAL  15  -6.226  -7.637   8.775
  125   HG12  VAL  15          HG12      VAL  15  -5.380  -6.713  10.020
  126   HG13  VAL  15          HG13      VAL  15  -4.980  -8.411   9.751
  127   HG21  VAL  15          HG21      VAL  15  -4.988  -8.362   6.728
  128   HG22  VAL  15          HG22      VAL  15  -3.749  -9.103   7.747
  129   HG23  VAL  15          HG23      VAL  15  -3.297  -7.923   6.514
  130    H    GLU  16           HN       GLU  16  -2.966  -4.359   8.863
  131    HA   GLU  16           HA       GLU  16  -4.346  -3.457  11.045
  132    HB2  GLU  16           HB2      GLU  16  -2.196  -1.994   9.547
  133    HB3  GLU  16           HB1      GLU  16  -2.747  -1.603  11.169
  134    HG2  GLU  16           HG2      GLU  16  -2.046  -3.911  11.835
  135    HG3  GLU  16           HG1      GLU  16  -1.320  -4.064  10.243
  136    H    SER  17           HN       SER  17  -4.297  -1.984   7.844
  137    HA   SER  17           HA       SER  17  -5.749   0.332   8.809
  138    HB2  SER  17           HB2      SER  17  -4.895  -0.347   5.994
  139    HB3  SER  17           HB1      SER  17  -5.340   1.248   6.621
  140    HG   SER  17           HG       SER  17  -3.040  -0.301   7.125
  141    H    ALA  18           HN       ALA  18  -6.627  -2.697   8.080
  142    HA   ALA  18           HA       ALA  18  -9.231  -1.971   6.932
  143    HB1  ALA  18           HB1      ALA  18  -9.250  -4.309   6.054
  144    HB2  ALA  18           HB2      ALA  18  -7.618  -4.528   6.690
  145    HB3  ALA  18           HB3      ALA  18  -7.914  -3.363   5.400
  146    H    GLY  19           HN       GLY  19 -10.162  -4.715   7.589
  147    HA2  GLY  19           HA2      GLY  19  -9.974  -5.877   9.861
  148    HA3  GLY  19           HA1      GLY  19 -10.452  -4.304  10.473
  149    H    GLU  20           HN       GLU  20 -12.530  -3.577  10.178
  150    HA   GLU  20           HA       GLU  20 -14.337  -5.751   9.393
  151    HB2  GLU  20           HB2      GLU  20 -16.020  -4.760  10.840
  152    HB3  GLU  20           HB1      GLU  20 -14.552  -5.141  11.721
  153    HG2  GLU  20           HG2      GLU  20 -13.900  -2.803  11.680
  154    HG3  GLU  20           HG1      GLU  20 -15.348  -2.409  10.749
  155    H    THR  21           HN       THR  21 -13.052  -3.245   8.055
  156    HA   THR  21           HA       THR  21 -15.400  -2.010   6.918
  157    HB   THR  21           HB       THR  21 -13.285  -0.723   7.280
  158    HG1  THR  21           HG1      THR  21 -14.316  -0.935   4.635
  159   HG21  THR  21          HG21      THR  21 -11.656  -2.437   6.698
  160   HG22  THR  21          HG22      THR  21 -11.402  -1.012   5.686
  161   HG23  THR  21          HG23      THR  21 -12.212  -2.434   5.025
  162    H    ASP  22           HN       ASP  22 -13.666  -4.769   6.521
  163    HA   ASP  22           HA       ASP  22 -15.215  -6.035   4.687
  164    HB2  ASP  22           HB2      ASP  22 -13.993  -4.475   3.041
  165    HB3  ASP  22           HB1      ASP  22 -12.513  -5.324   3.488
  166    H    GLY  23           HN       GLY  23 -14.753  -8.167   5.090
  167    HA2  GLY  23           HA2      GLY  23 -12.495  -8.571   6.873
  168    HA3  GLY  23           HA1      GLY  23 -13.798  -9.756   6.605
  169    H    THR  24           HN       THR  24 -11.320  -8.014   4.922
  170    HA   THR  24           HA       THR  24 -11.079  -9.678   2.740
  171    HB   THR  24           HB       THR  24  -8.928  -7.899   3.801
  172    HG1  THR  24           HG1      THR  24 -11.502  -7.222   2.702
  173   HG21  THR  24          HG21      THR  24 -10.123  -8.482   1.113
  174   HG22  THR  24          HG22      THR  24  -8.588  -9.114   1.733
  175   HG23  THR  24          HG23      THR  24  -8.779  -7.380   1.416
  176    H    ASP  25           HN       ASP  25 -10.045 -11.511   2.509
  177    HA   ASP  25           HA       ASP  25  -8.167 -12.454   4.536
  178    HB2  ASP  25           HB2      ASP  25  -9.876 -14.074   4.023
  179    HB3  ASP  25           HB1      ASP  25  -9.610 -13.890   2.294
  180    H    LEU  26           HN       LEU  26  -6.194 -11.779   4.185
  181    HA   LEU  26           HA       LEU  26  -5.198 -11.333   1.480
  182    HB2  LEU  26           HB2      LEU  26  -4.166 -10.617   4.211
  183    HB3  LEU  26           HB1      LEU  26  -3.131 -10.520   2.813
  184    HG   LEU  26           HG       LEU  26  -4.695  -8.851   1.825
  185   HD11  LEU  26          HD11      LEU  26  -6.326  -7.739   3.251
  186   HD12  LEU  26          HD12      LEU  26  -6.034  -8.921   4.525
  187   HD13  LEU  26          HD13      LEU  26  -6.742  -9.433   2.996
  188   HD21  LEU  26          HD21      LEU  26  -3.997  -7.026   3.249
  189   HD22  LEU  26          HD22      LEU  26  -2.691  -8.194   3.007
  190   HD23  LEU  26          HD23      LEU  26  -3.576  -8.167   4.528
  191    H    SER  27           HN       SER  27  -5.581 -14.020   2.830
  192    HA   SER  27           HA       SER  27  -2.875 -15.041   2.913
  193    HB2  SER  27           HB2      SER  27  -5.481 -16.584   2.947
  194    HB3  SER  27           HB1      SER  27  -3.905 -17.151   3.503
  195    HG   SER  27           HG       SER  27  -5.752 -15.458   4.639
  196    H    GLY  28           HN       GLY  28  -1.964 -16.251   1.249
  197    HA2  GLY  28           HA2      GLY  28  -2.008 -17.419  -0.821
  198    HA3  GLY  28           HA1      GLY  28  -3.582 -16.705  -1.161
  199    H    ASP  29           HN       ASP  29  -3.606 -15.105  -2.545
  200    HA   ASP  29           HA       ASP  29  -1.265 -13.362  -2.624
  201    HB2  ASP  29           HB2      ASP  29  -1.087 -14.764  -4.627
  202    HB3  ASP  29           HB1      ASP  29  -2.721 -14.311  -5.103
  203    H    PHE  30           HN       PHE  30  -1.749 -11.501  -2.102
  204    HA   PHE  30           HA       PHE  30  -4.397 -10.374  -2.782
  205    HB2  PHE  30           HB2      PHE  30  -4.178  -8.936  -0.804
  206    HB3  PHE  30           HB1      PHE  30  -4.031 -10.622  -0.323
  207    HD1  PHE  30           HD2      PHE  30  -1.769 -11.530   0.257
  208    HD2  PHE  30           HD1      PHE  30  -2.415  -7.389  -0.507
  209    HE1  PHE  30           HE2      PHE  30   0.385 -10.992   1.296
  210    HE2  PHE  30           HE1      PHE  30  -0.269  -6.853   0.522
  211    HZ   PHE  30           HZ       PHE  30   1.142  -8.653   1.430
  212    H    LEU  31           HN       LEU  31  -1.106 -10.333  -3.320
  213    HA   LEU  31           HA       LEU  31  -0.547  -7.569  -3.503
  214    HB2  LEU  31           HB2      LEU  31   1.066  -9.491  -3.193
  215    HB3  LEU  31           HB1      LEU  31   0.870  -9.817  -4.900
  216    HG   LEU  31           HG       LEU  31   1.719  -7.524  -5.361
  217   HD11  LEU  31          HD11      LEU  31   1.191  -6.496  -3.234
  218   HD12  LEU  31          HD12      LEU  31   2.918  -6.359  -3.572
  219   HD13  LEU  31          HD13      LEU  31   2.341  -7.551  -2.410
  220   HD21  LEU  31          HD21      LEU  31   3.164  -9.481  -5.526
  221   HD22  LEU  31          HD22      LEU  31   3.553  -9.353  -3.809
  222   HD23  LEU  31          HD23      LEU  31   4.060  -8.085  -4.928
  223    H    ASP  32           HN       ASP  32  -1.740  -9.993  -5.780
  224    HA   ASP  32           HA       ASP  32  -1.608  -8.013  -7.936
  225    HB2  ASP  32           HB2      ASP  32  -0.652 -10.384  -8.129
  226    HB3  ASP  32           HB1      ASP  32  -2.319 -10.935  -8.158
  227    H    LEU  33           HN       LEU  33  -3.548  -8.551  -5.577
  228    HA   LEU  33           HA       LEU  33  -6.079  -8.869  -6.976
  229    HB2  LEU  33           HB2      LEU  33  -5.540  -9.988  -4.764
  230    HB3  LEU  33           HB1      LEU  33  -5.495  -8.408  -4.037
  231    HG   LEU  33           HG       LEU  33  -7.898  -8.138  -4.454
  232   HD11  LEU  33          HD11      LEU  33  -7.741 -10.938  -5.592
  233   HD12  LEU  33          HD12      LEU  33  -8.047  -9.468  -6.514
  234   HD13  LEU  33          HD13      LEU  33  -9.216 -10.011  -5.312
  235   HD21  LEU  33          HD21      LEU  33  -7.151  -9.161  -2.362
  236   HD22  LEU  33          HD22      LEU  33  -7.167 -10.750  -3.105
  237   HD23  LEU  33          HD23      LEU  33  -8.675  -9.868  -2.885
  238    H    ARG  34           HN       ARG  34  -7.784  -7.055  -6.163
  239    HA   ARG  34           HA       ARG  34  -6.398  -4.567  -6.893
  240    HB2  ARG  34           HB2      ARG  34  -9.353  -5.181  -6.953
  241    HB3  ARG  34           HB1      ARG  34  -8.592  -3.712  -7.531
  242    HG2  ARG  34           HG2      ARG  34  -7.351  -5.076  -9.204
  243    HG3  ARG  34           HG1      ARG  34  -8.302  -6.479  -8.688
  244    HD2  ARG  34           HD2      ARG  34  -9.299  -5.461 -10.657
  245    HD3  ARG  34           HD1      ARG  34 -10.358  -5.256  -9.257
  246    HE   ARG  34           HE       ARG  34  -8.483  -3.157 -10.084
  247   HH11  ARG  34          HH11      ARG  34 -11.856  -4.151  -9.479
  248   HH12  ARG  34          HH12      ARG  34 -12.439  -2.555  -9.409
  249   HH21  ARG  34          HH21      ARG  34  -9.284  -1.074 -10.000
  250   HH22  ARG  34          HH22      ARG  34 -10.925  -0.690  -9.680
  251    H    PHE  35           HN       PHE  35  -6.712  -2.618  -5.758
  252    HA   PHE  35           HA       PHE  35  -7.013  -2.817  -2.972
  253    HB2  PHE  35           HB2      PHE  35  -6.903  -0.462  -4.821
  254    HB3  PHE  35           HB1      PHE  35  -7.363  -0.220  -3.139
  255    HD1  PHE  35           HD2      PHE  35  -5.678  -1.282  -1.399
  256    HD2  PHE  35           HD1      PHE  35  -4.720  -0.321  -5.433
  257    HE1  PHE  35           HE2      PHE  35  -3.286  -1.252  -0.826
  258    HE2  PHE  35           HE1      PHE  35  -2.329  -0.293  -4.868
  259    HZ   PHE  35           HZ       PHE  35  -1.643  -0.590  -2.450
  260    H    GLU  36           HN       GLU  36  -9.295  -1.845  -5.443
  261    HA   GLU  36           HA       GLU  36 -11.363  -1.110  -3.661
  262    HB2  GLU  36           HB2      GLU  36 -11.482  -2.101  -6.502
  263    HB3  GLU  36           HB1      GLU  36 -12.877  -1.504  -5.618
  264    HG2  GLU  36           HG2      GLU  36 -11.824   0.668  -5.382
  265    HG3  GLU  36           HG1      GLU  36 -10.392   0.072  -6.225
  266    H    ASP  37           HN       ASP  37 -10.187  -4.154  -4.652
  267    HA   ASP  37           HA       ASP  37 -12.598  -5.566  -3.906
  268    HB2  ASP  37           HB2      ASP  37 -11.155  -6.366  -5.772
  269    HB3  ASP  37           HB1      ASP  37  -9.891  -6.721  -4.599
  270    H    ILE  38           HN       ILE  38  -9.474  -4.801  -2.535
  271    HA   ILE  38           HA       ILE  38 -10.045  -6.408  -0.188
  272    HB   ILE  38           HB       ILE  38  -7.863  -5.577   0.702
  273   HG12  ILE  38          HG12      ILE  38  -7.635  -4.262  -2.019
  274   HG13  ILE  38          HG11      ILE  38  -7.757  -3.443  -0.472
  275   HG21  ILE  38          HG21      ILE  38  -7.967  -7.682  -0.431
  276   HG22  ILE  38          HG22      ILE  38  -6.452  -6.864  -0.806
  277   HG23  ILE  38          HG23      ILE  38  -7.757  -6.892  -2.001
  278   HD11  ILE  38          HD11      ILE  38  -5.602  -4.352   0.185
  279   HD12  ILE  38          HD12      ILE  38  -5.483  -3.431  -1.320
  280   HD13  ILE  38          HD13      ILE  38  -5.483  -5.192  -1.361
  281    H    GLY  39           HN       GLY  39 -11.544  -3.975  -1.014
  282    HA2  GLY  39           HA2      GLY  39 -12.893  -2.522   0.169
  283    HA3  GLY  39           HA1      GLY  39 -12.142  -3.110   1.634
  284    H    TYR  40           HN       TYR  40  -9.983  -1.806  -0.752
  285    HA   TYR  40           HA       TYR  40  -9.662   0.406   1.057
  286    HB2  TYR  40           HB2      TYR  40  -7.685  -0.784  -0.874
  287    HB3  TYR  40           HB1      TYR  40  -7.506   0.859  -0.269
  288    HD1  TYR  40           HD2      TYR  40  -8.048  -2.608   0.979
  289    HD2  TYR  40           HD1      TYR  40  -6.509   1.264   1.741
  290    HE1  TYR  40           HE2      TYR  40  -7.139  -3.399   3.104
  291    HE2  TYR  40           HE1      TYR  40  -5.611   0.511   3.863
  292    HH   TYR  40           HH       TYR  40  -5.554  -2.830   4.759
  293    H    ASP  41           HN       ASP  41 -10.394   2.111   0.838
  294    HA   ASP  41           HA       ASP  41 -11.415   3.127  -1.698
  295    HB2  ASP  41           HB2      ASP  41 -12.753   3.082   0.512
  296    HB3  ASP  41           HB1      ASP  41 -11.625   4.319   1.059
  297    H    SER  42           HN       SER  42 -11.113   5.842  -1.424
  298    HA   SER  42           HA       SER  42  -8.405   6.162  -2.223
  299    HB2  SER  42           HB2      SER  42  -9.111   8.603  -2.414
  300    HB3  SER  42           HB1      SER  42 -10.048   7.453  -3.369
  301    H    LEU  43           HN       LEU  43 -10.286   7.198   0.531
  302    HA   LEU  43           HA       LEU  43  -8.209   8.561   1.893
  303    HB2  LEU  43           HB2      LEU  43 -10.762   7.322   2.902
  304    HB3  LEU  43           HB1      LEU  43  -9.696   8.294   3.899
  305    HG   LEU  43           HG       LEU  43 -11.093   9.279   1.414
  306   HD11  LEU  43          HD11      LEU  43 -12.684   8.790   3.192
  307   HD12  LEU  43          HD12      LEU  43 -12.506  10.536   2.977
  308   HD13  LEU  43          HD13      LEU  43 -11.719   9.728   4.330
  309   HD21  LEU  43          HD21      LEU  43 -10.363  11.478   2.215
  310   HD22  LEU  43          HD22      LEU  43  -9.000  10.405   1.881
  311   HD23  LEU  43          HD23      LEU  43  -9.499  10.687   3.539
  312    H    ALA  44           HN       ALA  44  -9.207   5.247   1.773
  313    HA   ALA  44           HA       ALA  44  -7.660   4.389   4.011
  314    HB1  ALA  44           HB1      ALA  44  -8.929   2.794   1.782
  315    HB2  ALA  44           HB2      ALA  44  -9.680   3.207   3.321
  316    HB3  ALA  44           HB3      ALA  44  -8.273   2.133   3.282
  317    H    LEU  45           HN       LEU  45  -7.158   4.711   0.559
  318    HA   LEU  45           HA       LEU  45  -4.795   3.215   0.287
  319    HB2  LEU  45           HB2      LEU  45  -6.293   4.432  -1.494
  320    HB3  LEU  45           HB1      LEU  45  -5.313   5.828  -1.143
  321    HG   LEU  45           HG       LEU  45  -4.391   5.011  -3.083
  322   HD11  LEU  45          HD11      LEU  45  -2.722   3.716  -0.999
  323   HD12  LEU  45          HD12      LEU  45  -2.594   5.384  -1.578
  324   HD13  LEU  45          HD13      LEU  45  -2.218   4.035  -2.658
  325   HD21  LEU  45          HD21      LEU  45  -5.615   2.944  -3.232
  326   HD22  LEU  45          HD22      LEU  45  -4.491   2.196  -2.062
  327   HD23  LEU  45          HD23      LEU  45  -3.907   2.778  -3.630
  328    H    MET  46           HN       MET  46  -5.412   6.589   1.148
  329    HA   MET  46           HA       MET  46  -2.823   7.661   1.444
  330    HB2  MET  46           HB2      MET  46  -5.068   8.180   3.386
  331    HB3  MET  46           HB1      MET  46  -3.767   9.281   2.938
  332    HG2  MET  46           HG2      MET  46  -4.793   9.344   0.676
  333    HG3  MET  46           HG1      MET  46  -6.080   8.341   1.375
  334    HE1  MET  46           HE1      MET  46  -5.134  12.567   2.997
  335    HE2  MET  46           HE2      MET  46  -4.226  11.811   1.691
  336    HE3  MET  46           HE3      MET  46  -4.157  11.135   3.320
  337    H    GLU  47           HN       GLU  47  -4.894   6.020   3.632
  338    HA   GLU  47           HA       GLU  47  -3.329   5.967   5.900
  339    HB2  GLU  47           HB2      GLU  47  -5.720   4.991   4.791
  340    HB3  GLU  47           HB1      GLU  47  -5.175   3.879   6.081
  341    HG2  GLU  47           HG2      GLU  47  -5.780   6.844   6.134
  342    HG3  GLU  47           HG1      GLU  47  -6.727   5.568   6.898
  343    H    THR  48           HN       THR  48  -3.195   3.997   3.068
  344    HA   THR  48           HA       THR  48  -1.593   1.919   4.328
  345    HB   THR  48           HB       THR  48  -2.126   2.423   1.386
  346    HG1  THR  48           HG1      THR  48  -3.957   1.989   3.111
  347   HG21  THR  48          HG21      THR  48  -1.764  -0.011   1.197
  348   HG22  THR  48          HG22      THR  48  -1.372  -0.074   2.926
  349   HG23  THR  48          HG23      THR  48  -0.339   0.825   1.816
  350    H    ALA  49           HN       ALA  49  -1.230   4.293   1.691
  351    HA   ALA  49           HA       ALA  49   1.490   3.883   1.204
  352    HB1  ALA  49           HB1      ALA  49   1.373   5.847  -0.199
  353    HB2  ALA  49           HB2      ALA  49  -0.123   6.352   0.592
  354    HB3  ALA  49           HB3      ALA  49  -0.094   4.887  -0.391
  355    H    ALA  50           HN       ALA  50  -0.043   6.626   2.960
  356    HA   ALA  50           HA       ALA  50   2.407   7.895   3.553
  357    HB1  ALA  50           HB1      ALA  50   1.139   9.282   5.098
  358    HB2  ALA  50           HB2      ALA  50  -0.213   8.153   5.029
  359    HB3  ALA  50           HB3      ALA  50   0.237   9.071   3.596
  360    H    ARG  51           HN       ARG  51   0.678   5.361   5.080
  361    HA   ARG  51           HA       ARG  51   1.853   5.419   7.596
  362    HB2  ARG  51           HB2      ARG  51  -0.098   4.023   7.140
  363    HB3  ARG  51           HB1      ARG  51   0.799   3.098   5.961
  364    HG2  ARG  51           HG2      ARG  51   0.762   1.640   7.709
  365    HG3  ARG  51           HG1      ARG  51   2.290   2.455   8.016
  366    HD2  ARG  51           HD2      ARG  51   0.811   2.074   9.957
  367    HD3  ARG  51           HD1      ARG  51   1.289   3.747   9.854
  368    HE   ARG  51           HE       ARG  51  -0.912   4.178   8.863
  369   HH11  ARG  51          HH11      ARG  51  -0.501   1.122  10.660
  370   HH12  ARG  51          HH12      ARG  51  -2.172   0.893  10.885
  371   HH21  ARG  51          HH21      ARG  51  -3.188   3.791   9.131
  372   HH22  ARG  51          HH22      ARG  51  -3.713   2.403   9.993
  373    H    LEU  52           HN       LEU  52   2.623   3.684   4.639
  374    HA   LEU  52           HA       LEU  52   4.953   2.378   5.586
  375    HB2  LEU  52           HB2      LEU  52   4.149   2.993   2.744
  376    HB3  LEU  52           HB1      LEU  52   5.326   1.797   3.258
  377    HG   LEU  52           HG       LEU  52   2.374   1.718   3.839
  378   HD11  LEU  52          HD11      LEU  52   4.022   0.081   1.936
  379   HD12  LEU  52          HD12      LEU  52   2.842   1.330   1.519
  380   HD13  LEU  52          HD13      LEU  52   2.312  -0.157   2.303
  381   HD21  LEU  52          HD21      LEU  52   2.854  -0.591   4.654
  382   HD22  LEU  52          HD22      LEU  52   3.563   0.675   5.641
  383   HD23  LEU  52          HD23      LEU  52   4.585  -0.234   4.535
  384    H    GLU  53           HN       GLU  53   4.333   5.349   3.815
  385    HA   GLU  53           HA       GLU  53   6.931   6.141   3.248
  386    HB2  GLU  53           HB2      GLU  53   4.493   7.767   3.910
  387    HB3  GLU  53           HB1      GLU  53   6.014   8.481   3.387
  388    HG2  GLU  53           HG2      GLU  53   5.867   7.301   1.288
  389    HG3  GLU  53           HG1      GLU  53   4.386   6.501   1.821
  390    H    SER  54           HN       SER  54   5.001   6.915   6.182
  391    HA   SER  54           HA       SER  54   7.214   8.255   7.364
  392    HB2  SER  54           HB2      SER  54   4.700   7.202   8.674
  393    HB3  SER  54           HB1      SER  54   5.814   8.392   9.344
  394    HG   SER  54           HG       SER  54   5.116   9.235   6.920
  395    H    ARG  55           HN       ARG  55   5.998   4.995   7.469
  396    HA   ARG  55           HA       ARG  55   7.371   4.054   9.731
  397    HB2  ARG  55           HB2      ARG  55   5.455   2.931   8.701
  398    HB3  ARG  55           HB1      ARG  55   6.418   2.552   7.290
  399    HG2  ARG  55           HG2      ARG  55   7.832   1.107   8.660
  400    HG3  ARG  55           HG1      ARG  55   6.845   1.496  10.075
  401    HD2  ARG  55           HD2      ARG  55   4.870   0.565   8.981
  402    HD3  ARG  55           HD1      ARG  55   5.826   0.226   7.535
  403    HE   ARG  55           HE       ARG  55   6.405  -1.001  10.129
  404   HH11  ARG  55          HH11      ARG  55   5.504  -1.335   6.716
  405   HH12  ARG  55          HH12      ARG  55   5.995  -2.967   6.590
  406   HH21  ARG  55          HH21      ARG  55   6.967  -3.370   9.942
  407   HH22  ARG  55          HH22      ARG  55   6.792  -4.108   8.399
  408    H    TYR  56           HN       TYR  56   8.288   3.956   6.279
  409    HA   TYR  56           HA       TYR  56  10.898   2.925   7.085
  410    HB2  TYR  56           HB2      TYR  56   9.557   3.044   4.391
  411    HB3  TYR  56           HB1      TYR  56  11.258   2.630   4.583
  412    HD1  TYR  56           HD2      TYR  56   7.810   1.549   5.320
  413    HD2  TYR  56           HD1      TYR  56  11.924   0.494   5.411
  414    HE1  TYR  56           HE2      TYR  56   7.196  -0.778   5.790
  415    HE2  TYR  56           HE1      TYR  56  11.327  -1.833   5.891
  416    HH   TYR  56           HH       TYR  56   8.075  -3.058   5.755
  417    H    GLY  57           HN       GLY  57   9.485   5.768   5.596
  418    HA2  GLY  57           HA2      GLY  57  10.613   7.849   5.865
  419    HA3  GLY  57           HA1      GLY  57  12.140   6.979   5.783
  420    H    VAL  58           HN       VAL  58   9.230   7.116   3.765
  421    HA   VAL  58           HA       VAL  58  10.899   7.941   1.502
  422    HB   VAL  58           HB       VAL  58   9.664   6.490  -0.068
  423   HG11  VAL  58          HG11      VAL  58  10.802   4.917   2.215
  424   HG12  VAL  58          HG12      VAL  58  11.721   5.595   0.864
  425   HG13  VAL  58          HG13      VAL  58  10.543   4.303   0.583
  426   HG21  VAL  58          HG21      VAL  58   8.306   5.330   2.370
  427   HG22  VAL  58          HG22      VAL  58   8.169   4.711   0.729
  428   HG23  VAL  58          HG23      VAL  58   7.551   6.319   1.122
  429    H    SER  59           HN       SER  59   9.082   8.432  -0.425
  430    HA   SER  59           HA       SER  59   6.753   9.666   0.737
  431    HB2  SER  59           HB2      SER  59   8.835  11.286  -0.751
  432    HB3  SER  59           HB1      SER  59   7.239  11.873  -0.277
  433    HG   SER  59           HG       SER  59   8.263  10.841   1.850
  434    H    ILE  60           HN       ILE  60   5.077   9.674  -0.613
  435    HA   ILE  60           HA       ILE  60   5.515   9.195  -3.484
  436    HB   ILE  60           HB       ILE  60   3.303   7.999  -1.760
  437   HG12  ILE  60          HG12      ILE  60   5.555   6.593  -3.225
  438   HG13  ILE  60          HG11      ILE  60   5.460   6.818  -1.483
  439   HG21  ILE  60          HG21      ILE  60   3.802   7.712  -4.721
  440   HG22  ILE  60          HG22      ILE  60   2.469   8.585  -3.965
  441   HG23  ILE  60          HG23      ILE  60   2.583   6.829  -3.800
  442   HD11  ILE  60          HD11      ILE  60   3.424   5.452  -1.439
  443   HD12  ILE  60          HD12      ILE  60   4.805   4.578  -2.101
  444   HD13  ILE  60          HD13      ILE  60   3.565   5.211  -3.181
  445    HA   PRO  61           HA       PRO  61   3.097  13.011  -3.696
  446    HB2  PRO  61           HB2      PRO  61   2.581  11.988  -6.448
  447    HB3  PRO  61           HB1      PRO  61   3.168  13.576  -5.934
  448    HG2  PRO  61           HG2      PRO  61   4.827  11.814  -7.026
  449    HG3  PRO  61           HG1      PRO  61   5.350  12.826  -5.668
  450    HD2  PRO  61           HD2      PRO  61   4.548   9.944  -5.687
  451    HD3  PRO  61           HD1      PRO  61   5.834  10.749  -4.762
  452    H    ASP  62           HN       ASP  62   0.914  13.521  -3.697
  453    HA   ASP  62           HA       ASP  62  -0.725  11.544  -2.630
  454    HB2  ASP  62           HB2      ASP  62  -2.482  13.223  -2.522
  455    HB3  ASP  62           HB1      ASP  62  -0.938  13.905  -2.025
  456    H    ASP  63           HN       ASP  63  -0.747  12.888  -5.892
  457    HA   ASP  63           HA       ASP  63  -3.155  11.590  -6.691
  458    HB2  ASP  63           HB2      ASP  63  -0.846  12.348  -8.484
  459    HB3  ASP  63           HB1      ASP  63  -2.464  11.933  -9.003
  460    H    VAL  64           HN       VAL  64   0.160  10.572  -6.565
  461    HA   VAL  64           HA       VAL  64  -0.109   8.416  -8.388
  462    HB   VAL  64           HB       VAL  64   2.061   8.787  -6.300
  463   HG11  VAL  64          HG11      VAL  64   3.450   7.431  -7.787
  464   HG12  VAL  64          HG12      VAL  64   2.076   7.207  -8.865
  465   HG13  VAL  64          HG13      VAL  64   2.034   6.537  -7.231
  466   HG21  VAL  64          HG21      VAL  64   1.882  10.751  -7.718
  467   HG22  VAL  64          HG22      VAL  64   1.962   9.742  -9.157
  468   HG23  VAL  64          HG23      VAL  64   3.358   9.851  -8.086
  469    H    ALA  65           HN       ALA  65  -0.963   8.742  -5.080
  470    HA   ALA  65           HA       ALA  65  -0.834   5.997  -4.417
  471    HB1  ALA  65           HB1      ALA  65  -2.126   6.704  -2.450
  472    HB2  ALA  65           HB2      ALA  65  -2.371   8.293  -3.177
  473    HB3  ALA  65           HB3      ALA  65  -0.749   7.768  -2.720
  474    H    GLY  66           HN       GLY  66  -3.191   8.246  -5.751
  475    HA2  GLY  66           HA2      GLY  66  -5.306   6.259  -5.693
  476    HA3  GLY  66           HA1      GLY  66  -5.430   7.907  -6.300
  477    H    ARG  67           HN       ARG  67  -2.706   6.818  -7.600
  478    HA   ARG  67           HA       ARG  67  -3.988   6.201 -10.132
  479    HB2  ARG  67           HB2      ARG  67  -1.160   6.909  -9.419
  480    HB3  ARG  67           HB1      ARG  67  -1.628   6.369 -11.019
  481    HG2  ARG  67           HG2      ARG  67  -3.123   8.297 -11.235
  482    HG3  ARG  67           HG1      ARG  67  -2.645   8.838  -9.621
  483    HD2  ARG  67           HD2      ARG  67  -1.412   9.981 -11.461
  484    HD3  ARG  67           HD1      ARG  67  -0.355   9.107 -10.342
  485    HE   ARG  67           HE       ARG  67  -1.257   7.709 -12.716
  486   HH11  ARG  67          HH11      ARG  67   1.357   9.704 -11.404
  487   HH12  ARG  67          HH12      ARG  67   2.613   8.908 -12.212
  488   HH21  ARG  67          HH21      ARG  67   0.402   6.585 -13.843
  489   HH22  ARG  67          HH22      ARG  67   2.048   7.000 -13.669
  490    H    VAL  68           HN       VAL  68  -2.916   4.385  -7.600
  491    HA   VAL  68           HA       VAL  68  -1.956   2.331  -9.399
  492    HB   VAL  68           HB       VAL  68  -1.213   1.019  -7.402
  493   HG11  VAL  68          HG11      VAL  68   0.640   2.463  -6.794
  494   HG12  VAL  68          HG12      VAL  68  -0.197   3.841  -7.506
  495   HG13  VAL  68          HG13      VAL  68   0.325   2.497  -8.529
  496   HG21  VAL  68          HG21      VAL  68  -2.045   3.461  -5.833
  497   HG22  VAL  68          HG22      VAL  68  -1.149   2.078  -5.205
  498   HG23  VAL  68          HG23      VAL  68  -2.819   1.874  -5.750
  499    H    ASP  69           HN       ASP  69  -2.815   0.042  -9.055
  500    HA   ASP  69           HA       ASP  69  -5.659   0.182  -8.216
  501    HB2  ASP  69           HB2      ASP  69  -5.285  -0.109 -10.750
  502    HB3  ASP  69           HB1      ASP  69  -4.583  -1.656 -10.339
  503    H    THR  70           HN       THR  70  -2.750  -1.731  -8.468
  504    HA   THR  70           HA       THR  70  -3.941  -3.655  -6.634
  505    HB   THR  70           HB       THR  70  -2.333  -5.293  -7.622
  506    HG1  THR  70           HG1      THR  70  -1.864  -3.584  -9.790
  507   HG21  THR  70          HG21      THR  70  -3.462  -5.492  -9.829
  508   HG22  THR  70          HG22      THR  70  -4.095  -3.853  -9.624
  509   HG23  THR  70          HG23      THR  70  -4.607  -5.136  -8.533
  510    HA   PRO  71           HA       PRO  71  -1.098  -2.473  -3.433
  511    HB2  PRO  71           HB2      PRO  71  -0.664  -5.406  -3.099
  512    HB3  PRO  71           HB1      PRO  71  -1.066  -4.182  -1.888
  513    HG2  PRO  71           HG2      PRO  71  -2.925  -5.842  -2.784
  514    HG3  PRO  71           HG1      PRO  71  -3.310  -4.134  -2.496
  515    HD2  PRO  71           HD2      PRO  71  -2.833  -5.573  -5.071
  516    HD3  PRO  71           HD1      PRO  71  -3.972  -4.262  -4.710
  517    H    ARG  72           HN       ARG  72  -0.108  -4.838  -5.816
  518    HA   ARG  72           HA       ARG  72   2.609  -4.856  -5.118
  519    HB2  ARG  72           HB2      ARG  72   3.040  -5.989  -7.178
  520    HB3  ARG  72           HB1      ARG  72   1.555  -6.606  -6.494
  521    HG2  ARG  72           HG2      ARG  72   0.304  -5.165  -8.122
  522    HG3  ARG  72           HG1      ARG  72   1.867  -4.777  -8.858
  523    HD2  ARG  72           HD2      ARG  72   0.534  -7.466  -8.638
  524    HD3  ARG  72           HD1      ARG  72   0.986  -6.596 -10.109
  525    HE   ARG  72           HE       ARG  72   3.341  -6.862  -9.104
  526   HH11  ARG  72          HH11      ARG  72   0.794  -9.304  -9.385
  527   HH12  ARG  72          HH12      ARG  72   1.777 -10.625  -8.938
  528   HH21  ARG  72          HH21      ARG  72   4.777  -8.778  -8.551
  529   HH22  ARG  72          HH22      ARG  72   4.116 -10.310  -8.570
  530    H    GLU  73           HN       GLU  73   0.771  -2.616  -7.037
  531    HA   GLU  73           HA       GLU  73   3.066  -1.376  -8.229
  532    HB2  GLU  73           HB2      GLU  73   0.301  -0.288  -7.786
  533    HB3  GLU  73           HB1      GLU  73   1.544   0.420  -8.799
  534    HG2  GLU  73           HG2      GLU  73   1.461  -1.492 -10.262
  535    HG3  GLU  73           HG1      GLU  73   0.229  -2.234  -9.224
  536    H    LEU  74           HN       LEU  74   0.951  -0.729  -5.518
  537    HA   LEU  74           HA       LEU  74   1.988   1.723  -4.618
  538    HB2  LEU  74           HB2      LEU  74  -0.094   0.303  -3.871
  539    HB3  LEU  74           HB1      LEU  74   1.097  -0.479  -2.837
  540    HG   LEU  74           HG       LEU  74  -0.366   1.298  -1.725
  541   HD11  LEU  74          HD11      LEU  74   1.704   0.522  -0.700
  542   HD12  LEU  74          HD12      LEU  74   1.441   2.248  -0.399
  543   HD13  LEU  74          HD13      LEU  74   2.601   1.727  -1.619
  544   HD21  LEU  74          HD21      LEU  74   0.253   3.626  -2.047
  545   HD22  LEU  74          HD22      LEU  74  -0.329   2.918  -3.557
  546   HD23  LEU  74          HD23      LEU  74   1.404   3.150  -3.297
  547    H    LEU  75           HN       LEU  75   2.719  -1.634  -3.819
  548    HA   LEU  75           HA       LEU  75   4.728  -1.306  -1.958
  549    HB2  LEU  75           HB2      LEU  75   3.499  -3.345  -2.393
  550    HB3  LEU  75           HB1      LEU  75   4.217  -3.442  -3.995
  551    HG   LEU  75           HG       LEU  75   6.387  -3.559  -2.886
  552   HD11  LEU  75          HD11      LEU  75   5.812  -2.744  -0.689
  553   HD12  LEU  75          HD12      LEU  75   6.422  -4.400  -0.550
  554   HD13  LEU  75          HD13      LEU  75   4.695  -4.085  -0.451
  555   HD21  LEU  75          HD21      LEU  75   6.151  -5.986  -2.413
  556   HD22  LEU  75          HD22      LEU  75   5.370  -5.430  -3.901
  557   HD23  LEU  75          HD23      LEU  75   4.394  -5.752  -2.470
  558    H    ASP  76           HN       ASP  76   4.789  -1.556  -5.474
  559    HA   ASP  76           HA       ASP  76   7.576  -1.688  -5.833
  560    HB2  ASP  76           HB2      ASP  76   6.042  -2.359  -7.597
  561    HB3  ASP  76           HB1      ASP  76   5.403  -0.725  -7.699
  562    H    LEU  77           HN       LEU  77   5.298   0.989  -5.827
  563    HA   LEU  77           HA       LEU  77   6.997   3.121  -6.378
  564    HB2  LEU  77           HB2      LEU  77   4.656   2.977  -4.487
  565    HB3  LEU  77           HB1      LEU  77   5.381   4.464  -5.020
  566    HG   LEU  77           HG       LEU  77   4.004   2.476  -6.819
  567   HD11  LEU  77          HD11      LEU  77   2.438   3.545  -5.265
  568   HD12  LEU  77          HD12      LEU  77   2.174   4.088  -6.913
  569   HD13  LEU  77          HD13      LEU  77   3.011   5.135  -5.758
  570   HD21  LEU  77          HD21      LEU  77   4.099   4.274  -8.483
  571   HD22  LEU  77          HD22      LEU  77   5.714   3.782  -7.980
  572   HD23  LEU  77          HD23      LEU  77   5.009   5.272  -7.351
  573    H    ILE  78           HN       ILE  78   6.164   1.635  -3.287
  574    HA   ILE  78           HA       ILE  78   7.815   3.191  -1.630
  575    HB   ILE  78           HB       ILE  78   6.949   0.304  -1.251
  576   HG12  ILE  78          HG12      ILE  78   5.047   1.878  -1.431
  577   HG13  ILE  78          HG11      ILE  78   5.176   1.182   0.183
  578   HG21  ILE  78          HG21      ILE  78   8.074   2.242   0.775
  579   HG22  ILE  78          HG22      ILE  78   8.864   0.794   0.160
  580   HG23  ILE  78          HG23      ILE  78   7.406   0.654   1.147
  581   HD11  ILE  78          HD11      ILE  78   4.612   3.551   0.258
  582   HD12  ILE  78          HD12      ILE  78   6.076   3.934  -0.641
  583   HD13  ILE  78          HD13      ILE  78   6.190   3.254   0.985
  584    H    ASN  79           HN       ASN  79   8.325  -0.070  -2.959
  585    HA   ASN  79           HA       ASN  79  10.875  -0.588  -2.025
  586    HB2  ASN  79           HB2      ASN  79   9.651  -1.519  -4.625
  587    HB3  ASN  79           HB1      ASN  79  11.186  -2.106  -4.005
  588   HD21  ASN  79          HD21      ASN  79  10.081  -2.018  -1.206
  589   HD22  ASN  79          HD22      ASN  79   9.081  -3.434  -1.116
  590    H    GLY  80           HN       GLY  80  10.036   0.973  -5.095
  591    HA2  GLY  80           HA2      GLY  80  12.613   1.232  -6.097
  592    HA3  GLY  80           HA1      GLY  80  11.267   2.298  -6.483
  593    H    ALA  81           HN       ALA  81  10.774   3.473  -4.090
  594    HA   ALA  81           HA       ALA  81  12.821   5.444  -3.994
  595    HB1  ALA  81           HB1      ALA  81  10.446   5.956  -3.667
  596    HB2  ALA  81           HB2      ALA  81  11.439   6.519  -2.321
  597    HB3  ALA  81           HB3      ALA  81  10.469   5.055  -2.149
  598    H    LEU  82           HN       LEU  82  11.864   2.779  -1.884
  599    HA   LEU  82           HA       LEU  82  13.481   3.480   0.288
  600    HB2  LEU  82           HB2      LEU  82  11.511   2.100   0.492
  601    HB3  LEU  82           HB1      LEU  82  12.216   0.890  -0.561
  602    HG   LEU  82           HG       LEU  82  13.883   0.413   1.083
  603   HD11  LEU  82          HD11      LEU  82  14.027   2.596   2.206
  604   HD12  LEU  82          HD12      LEU  82  13.699   1.329   3.387
  605   HD13  LEU  82          HD13      LEU  82  12.396   2.385   2.849
  606   HD21  LEU  82          HD21      LEU  82  11.852  -0.875   1.077
  607   HD22  LEU  82          HD22      LEU  82  11.062   0.305   2.125
  608   HD23  LEU  82          HD23      LEU  82  12.400  -0.669   2.744
  609    H    ALA  83           HN       ALA  83  14.035   1.490  -2.581
  610    HA   ALA  83           HA       ALA  83  16.435   0.321  -1.655
  611    HB1  ALA  83           HB1      ALA  83  15.151  -0.613  -3.527
  612    HB2  ALA  83           HB2      ALA  83  16.828  -0.339  -3.979
  613    HB3  ALA  83           HB3      ALA  83  15.581   0.767  -4.532
  614    H    GLU  84           HN       GLU  84  15.791   3.518  -2.870
  615    HA   GLU  84           HA       GLU  84  18.503   4.105  -3.517
  616    HB2  GLU  84           HB2      GLU  84  16.100   5.854  -3.009
  617    HB3  GLU  84           HB1      GLU  84  17.648   6.405  -3.617
  618    HG2  GLU  84           HG2      GLU  84  17.301   4.994  -5.629
  619    HG3  GLU  84           HG1      GLU  84  15.718   4.546  -4.988
  620    H    ALA  85           HN       ALA  85  16.390   4.266  -0.762
  621    HA   ALA  85           HA       ALA  85  18.110   6.053   0.720
  622    HB1  ALA  85           HB1      ALA  85  15.679   6.285   0.882
  623    HB2  ALA  85           HB2      ALA  85  16.406   5.947   2.452
  624    HB3  ALA  85           HB3      ALA  85  15.578   4.665   1.568
  625    H    ALA  86           HN       ALA  86  17.327   2.636   0.654
  626    HA   ALA  86           HA       ALA  86  18.773   2.129   3.080
  627    HB1  ALA  86           HB1      ALA  86  18.229  -0.217   2.671
  628    HB2  ALA  86           HB2      ALA  86  17.628   0.197   1.061
  629    HB3  ALA  86           HB3      ALA  86  16.796   0.797   2.495
  630   H28A  SDO 101          H28A      SDO  42 -11.298  12.108  -3.028
  631   H28B  SDO 101          H28B      SDO  42 -11.765  12.287  -1.337
  632   H30A  SDO 101          H30A      SDO  42  -9.487  15.070  -1.890
  633   H30B  SDO 101          H30B      SDO  42 -11.064  14.577  -1.278
  634   H30C  SDO 101          H30C      SDO  42 -10.712  14.459  -3.003
  635   H31A  SDO 101          H31A      SDO  42  -8.968  11.770  -0.300
  636   H31B  SDO 101          H31B      SDO  42  -9.988  13.102   0.325
  637   H31C  SDO 101          H31C      SDO  42  -8.360  13.418  -0.353
  638   H32A  SDO 101          H32A      SDO  42  -9.037  12.559  -3.789
  639   H33A  SDO 101          H33A      SDO  42  -8.908  10.805  -2.129
  640   H36A  SDO 101          H36A      SDO  42  -6.408  12.019  -2.151
  641   H37A  SDO 101          H37A      SDO  42  -4.323  13.168  -2.794
  642   H37B  SDO 101          H37B      SDO  42  -5.180  14.698  -2.578
  643   H38A  SDO 101          H38A      SDO  42  -4.468  12.727  -0.380
  644   H38B  SDO 101          H38B      SDO  42  -3.558  14.169  -0.772
  645   H41A  SDO 101          H41A      SDO  42  -6.589  15.154  -1.278
  646   H42A  SDO 101          H42A      SDO  42  -8.233  15.395   0.670
  647   H42B  SDO 101          H42B      SDO  42  -6.935  16.384   1.349
  648   H43A  SDO 101          H43A      SDO  42  -8.214  16.770  -1.324
  649   H43B  SDO 101          H43B      SDO  42  -7.128  17.911  -0.526
  650    H1A  SDO 101           H1A      SDO  42 -10.053  18.345   2.531
  651    H1B  SDO 101           H1B      SDO  42 -11.092  17.266   1.634
  652    H2A  SDO 101           H2A      SDO  42  -8.394  16.555   2.718
  653    H2B  SDO 101           H2B      SDO  42  -9.485  15.480   1.878
  654    H4A  SDO 101           H4A      SDO  42 -10.960  16.688   5.693
  655    H4B  SDO 101           H4B      SDO  42 -12.028  15.642   4.808
  656    H5A  SDO 101           H5A      SDO  42 -12.490  17.339   3.180
  657    H5B  SDO 101           H5B      SDO  42 -11.326  18.428   3.940
  658    H6A  SDO 101           H6A      SDO  42 -12.665  18.305   6.027
  659    H6B  SDO 101           H6B      SDO  42 -13.854  17.347   5.164
  660    H8A  SDO 101           H8A      SDO  42 -14.218  19.969   2.588
  661    H8B  SDO 101           H8B      SDO  42 -12.523  19.566   2.918
  662    H8C  SDO 101           H8C      SDO  42 -13.200  21.105   3.481
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  21.074  -0.852   7.750
    2    H2   MET   1           HT2      MET   1  21.983  -1.887   6.769
    3    H3   MET   1           HT3      MET   1  21.611  -2.343   8.346
    4    HA   MET   1           HA       MET   1  20.294  -3.457   6.633
    5    HB2  MET   1           HB2      MET   1  18.841  -1.689   8.610
    6    HB3  MET   1           HB1      MET   1  17.995  -2.826   7.581
    7    HG2  MET   1           HG2      MET   1  19.340  -4.645   8.572
    8    HG3  MET   1           HG1      MET   1  20.052  -3.463   9.672
    9    HE1  MET   1           HE1      MET   1  18.475  -6.169  10.508
   10    HE2  MET   1           HE2      MET   1  17.590  -5.593  11.918
   11    HE3  MET   1           HE3      MET   1  19.259  -5.094  11.662
   12    H    ALA   2           HN       ALA   2  18.057  -3.038   5.588
   13    HA   ALA   2           HA       ALA   2  17.958  -0.450   4.235
   14    HB1  ALA   2           HB1      ALA   2  17.864  -3.148   2.859
   15    HB2  ALA   2           HB2      ALA   2  19.145  -1.950   2.706
   16    HB3  ALA   2           HB3      ALA   2  17.531  -1.595   2.084
   17    H    THR   3           HN       THR   3  16.522  -3.642   4.550
   18    HA   THR   3           HA       THR   3  14.527  -4.427   4.998
   19    HB   THR   3           HB       THR   3  13.719  -1.685   6.013
   20    HG1  THR   3           HG1      THR   3  15.034  -1.941   7.578
   21   HG21  THR   3          HG21      THR   3  11.944  -3.430   5.871
   22   HG22  THR   3          HG22      THR   3  12.309  -2.982   7.534
   23   HG23  THR   3          HG23      THR   3  12.936  -4.490   6.872
   24    H    LEU   4           HN       LEU   4  14.504  -4.480   2.650
   25    HA   LEU   4           HA       LEU   4  12.871  -2.657   1.174
   26    HB2  LEU   4           HB2      LEU   4  14.568  -4.441   0.312
   27    HB3  LEU   4           HB1      LEU   4  13.245  -5.584   0.500
   28    HG   LEU   4           HG       LEU   4  11.948  -4.045  -1.041
   29   HD11  LEU   4          HD11      LEU   4  13.352  -2.092  -0.804
   30   HD12  LEU   4          HD12      LEU   4  13.292  -2.595  -2.495
   31   HD13  LEU   4          HD13      LEU   4  14.720  -2.944  -1.520
   32   HD21  LEU   4          HD21      LEU   4  13.006  -4.982  -3.053
   33   HD22  LEU   4          HD22      LEU   4  12.833  -6.194  -1.781
   34   HD23  LEU   4          HD23      LEU   4  14.403  -5.454  -2.086
   35    H    LEU   5           HN       LEU   5  10.609  -2.810   0.845
   36    HA   LEU   5           HA       LEU   5   9.255  -4.096   3.004
   37    HB2  LEU   5           HB2      LEU   5   8.739  -1.831   1.682
   38    HB3  LEU   5           HB1      LEU   5   7.803  -2.906   0.664
   39    HG   LEU   5           HG       LEU   5   7.361  -2.451   3.623
   40   HD11  LEU   5          HD11      LEU   5   5.814  -1.502   1.243
   41   HD12  LEU   5          HD12      LEU   5   6.756  -0.517   2.376
   42   HD13  LEU   5          HD13      LEU   5   5.307  -1.353   2.925
   43   HD21  LEU   5          HD21      LEU   5   6.689  -4.694   2.940
   44   HD22  LEU   5          HD22      LEU   5   5.710  -3.996   1.647
   45   HD23  LEU   5          HD23      LEU   5   5.298  -3.683   3.336
   46    H    THR   6           HN       THR   6   8.522  -6.091   3.016
   47    HA   THR   6           HA       THR   6   8.647  -7.649   0.603
   48    HB   THR   6           HB       THR   6   8.347  -9.572   2.204
   49    HG1  THR   6           HG1      THR   6   8.777  -8.995   4.427
   50   HG21  THR   6          HG21      THR   6  10.677  -7.702   2.712
   51   HG22  THR   6          HG22      THR   6  10.571  -8.893   1.414
   52   HG23  THR   6          HG23      THR   6  10.637  -9.420   3.099
   53    H    THR   7           HN       THR   7   6.900  -9.678   1.072
   54    HA   THR   7           HA       THR   7   4.454  -8.469   0.268
   55    HB   THR   7           HB       THR   7   5.163 -11.371   0.789
   56    HG1  THR   7           HG1      THR   7   5.307  -9.860  -1.641
   57   HG21  THR   7          HG21      THR   7   3.339 -11.822  -0.812
   58   HG22  THR   7          HG22      THR   7   3.046 -10.083  -0.948
   59   HG23  THR   7          HG23      THR   7   2.755 -10.904   0.577
   60    H    ASP   8           HN       ASP   8   5.668 -10.417   2.968
   61    HA   ASP   8           HA       ASP   8   3.255 -10.723   4.394
   62    HB2  ASP   8           HB2      ASP   8   6.095 -10.778   5.419
   63    HB3  ASP   8           HB1      ASP   8   4.696 -11.127   6.414
   64    H    ASP   9           HN       ASP   9   5.736  -8.243   4.623
   65    HA   ASP   9           HA       ASP   9   4.590  -6.928   6.856
   66    HB2  ASP   9           HB2      ASP   9   6.944  -6.585   6.117
   67    HB3  ASP   9           HB1      ASP   9   6.331  -5.702   4.718
   68    H    LEU  10           HN       LEU  10   4.250  -6.563   3.406
   69    HA   LEU  10           HA       LEU  10   2.638  -4.260   3.413
   70    HB2  LEU  10           HB2      LEU  10   3.784  -5.133   1.405
   71    HB3  LEU  10           HB1      LEU  10   2.676  -6.493   1.382
   72    HG   LEU  10           HG       LEU  10   0.801  -4.876   1.065
   73   HD11  LEU  10          HD11      LEU  10   1.325  -2.617   0.302
   74   HD12  LEU  10          HD12      LEU  10   3.033  -2.883   0.677
   75   HD13  LEU  10          HD13      LEU  10   1.834  -2.882   1.967
   76   HD21  LEU  10          HD21      LEU  10   1.765  -6.094  -0.816
   77   HD22  LEU  10          HD22      LEU  10   2.970  -4.822  -1.026
   78   HD23  LEU  10          HD23      LEU  10   1.257  -4.475  -1.298
   79    H    ARG  11           HN       ARG  11   1.888  -7.681   3.582
   80    HA   ARG  11           HA       ARG  11  -0.900  -7.565   3.411
   81    HB2  ARG  11           HB2      ARG  11   0.444  -9.669   3.410
   82    HB3  ARG  11           HB1      ARG  11   0.717  -9.453   5.133
   83    HG2  ARG  11           HG2      ARG  11  -1.692  -9.629   5.539
   84    HG3  ARG  11           HG1      ARG  11  -1.955  -9.899   3.815
   85    HD2  ARG  11           HD2      ARG  11  -1.961 -12.030   4.914
   86    HD3  ARG  11           HD1      ARG  11  -0.472 -11.894   3.978
   87    HE   ARG  11           HE       ARG  11  -0.652 -11.520   6.899
   88   HH11  ARG  11          HH11      ARG  11   1.174 -12.588   4.043
   89   HH12  ARG  11          HH12      ARG  11   2.520 -13.113   4.967
   90   HH21  ARG  11          HH21      ARG  11   1.149 -12.303   8.107
   91   HH22  ARG  11          HH22      ARG  11   2.481 -13.025   7.328
   92    H    ARG  12           HN       ARG  12   1.226  -7.394   6.223
   93    HA   ARG  12           HA       ARG  12  -0.696  -7.095   8.225
   94    HB2  ARG  12           HB2      ARG  12   2.132  -6.020   8.087
   95    HB3  ARG  12           HB1      ARG  12   1.163  -6.015   9.554
   96    HG2  ARG  12           HG2      ARG  12   1.046  -8.434   9.508
   97    HG3  ARG  12           HG1      ARG  12   1.941  -8.457   7.989
   98    HD2  ARG  12           HD2      ARG  12   3.893  -7.511   9.123
   99    HD3  ARG  12           HD1      ARG  12   2.985  -7.434  10.639
  100    HE   ARG  12           HE       ARG  12   2.743 -10.003  10.009
  101   HH11  ARG  12          HH11      ARG  12   5.723  -8.015  10.179
  102   HH12  ARG  12          HH12      ARG  12   6.691  -9.352  10.560
  103   HH21  ARG  12          HH21      ARG  12   4.108 -11.768  10.461
  104   HH22  ARG  12          HH22      ARG  12   5.786 -11.568  10.650
  105    H    ALA  13           HN       ALA  13   0.906  -4.669   6.249
  106    HA   ALA  13           HA       ALA  13  -0.298  -2.449   7.501
  107    HB1  ALA  13           HB1      ALA  13   0.518  -1.133   5.625
  108    HB2  ALA  13           HB2      ALA  13   0.791  -2.600   4.691
  109    HB3  ALA  13           HB3      ALA  13   1.762  -2.279   6.127
  110    H    LEU  14           HN       LEU  14  -1.244  -4.365   4.630
  111    HA   LEU  14           HA       LEU  14  -3.442  -2.777   4.014
  112    HB2  LEU  14           HB2      LEU  14  -2.307  -5.306   3.144
  113    HB3  LEU  14           HB1      LEU  14  -4.043  -5.212   2.955
  114    HG   LEU  14           HG       LEU  14  -3.777  -3.174   1.608
  115   HD11  LEU  14          HD11      LEU  14  -0.824  -3.630   1.919
  116   HD12  LEU  14          HD12      LEU  14  -1.763  -2.254   2.510
  117   HD13  LEU  14          HD13      LEU  14  -1.576  -2.512   0.781
  118   HD21  LEU  14          HD21      LEU  14  -2.785  -4.214  -0.367
  119   HD22  LEU  14          HD22      LEU  14  -3.890  -5.295   0.468
  120   HD23  LEU  14          HD23      LEU  14  -2.147  -5.510   0.644
  121    H    VAL  15           HN       VAL  15  -3.046  -5.126   6.449
  122    HA   VAL  15           HA       VAL  15  -5.892  -5.487   6.832
  123    HB   VAL  15           HB       VAL  15  -3.636  -5.967   8.806
  124   HG11  VAL  15          HG11      VAL  15  -5.861  -5.792   9.866
  125   HG12  VAL  15          HG12      VAL  15  -5.277  -7.459   9.947
  126   HG13  VAL  15          HG13      VAL  15  -6.486  -7.013   8.758
  127   HG21  VAL  15          HG21      VAL  15  -4.995  -7.947   6.974
  128   HG22  VAL  15          HG22      VAL  15  -3.793  -8.338   8.200
  129   HG23  VAL  15          HG23      VAL  15  -3.343  -7.347   6.814
  130    H    GLU  16           HN       GLU  16  -3.303  -3.875   8.705
  131    HA   GLU  16           HA       GLU  16  -4.794  -2.515  10.548
  132    HB2  GLU  16           HB2      GLU  16  -2.169  -1.739   9.303
  133    HB3  GLU  16           HB1      GLU  16  -2.827  -1.072  10.800
  134    HG2  GLU  16           HG2      GLU  16  -2.797  -3.311  11.789
  135    HG3  GLU  16           HG1      GLU  16  -2.152  -3.958  10.314
  136    H    SER  17           HN       SER  17  -4.214  -1.533   7.218
  137    HA   SER  17           HA       SER  17  -5.072   1.162   7.765
  138    HB2  SER  17           HB2      SER  17  -4.469  -0.150   5.109
  139    HB3  SER  17           HB1      SER  17  -4.598   1.580   5.418
  140    HG   SER  17           HG       SER  17  -2.637  -0.247   6.181
  141    H    ALA  18           HN       ALA  18  -6.785  -1.654   7.415
  142    HA   ALA  18           HA       ALA  18  -9.016  -0.302   6.059
  143    HB1  ALA  18           HB1      ALA  18  -9.758  -2.485   5.320
  144    HB2  ALA  18           HB2      ALA  18  -8.406  -3.245   6.157
  145    HB3  ALA  18           HB3      ALA  18  -8.108  -2.173   4.781
  146    H    GLY  19           HN       GLY  19 -11.057  -0.454   6.965
  147    HA2  GLY  19           HA2      GLY  19 -11.385  -2.014   9.416
  148    HA3  GLY  19           HA1      GLY  19 -11.567  -0.268   9.536
  149    H    GLU  20           HN       GLU  20 -12.552  -2.536   7.034
  150    HA   GLU  20           HA       GLU  20 -15.295  -2.614   7.639
  151    HB2  GLU  20           HB2      GLU  20 -16.192  -1.201   5.784
  152    HB3  GLU  20           HB1      GLU  20 -15.406  -0.286   7.048
  153    HG2  GLU  20           HG2      GLU  20 -13.435  -0.010   5.643
  154    HG3  GLU  20           HG1      GLU  20 -14.205  -0.956   4.368
  155    H    THR  21           HN       THR  21 -13.127  -4.294   6.765
  156    HA   THR  21           HA       THR  21 -14.393  -5.614   4.521
  157    HB   THR  21           HB       THR  21 -12.725  -3.939   3.551
  158    HG1  THR  21           HG1      THR  21 -11.713  -5.361   2.210
  159   HG21  THR  21          HG21      THR  21 -10.742  -5.645   5.024
  160   HG22  THR  21          HG22      THR  21 -11.061  -3.927   5.304
  161   HG23  THR  21          HG23      THR  21 -10.309  -4.461   3.792
  162    H    ASP  22           HN       ASP  22 -14.483  -6.309   7.077
  163    HA   ASP  22           HA       ASP  22 -12.232  -7.635   8.076
  164    HB2  ASP  22           HB2      ASP  22 -15.023  -7.441   8.898
  165    HB3  ASP  22           HB1      ASP  22 -13.970  -8.610   9.714
  166    H    GLY  23           HN       GLY  23 -11.428  -9.264   7.505
  167    HA2  GLY  23           HA2      GLY  23 -11.247 -11.504   7.131
  168    HA3  GLY  23           HA1      GLY  23 -12.990 -11.597   6.697
  169    H    THR  24           HN       THR  24 -10.153  -9.806   5.799
  170    HA   THR  24           HA       THR  24 -10.854  -9.573   3.052
  171    HB   THR  24           HB       THR  24  -8.139  -9.041   4.144
  172    HG1  THR  24           HG1      THR  24 -10.555  -7.755   4.950
  173   HG21  THR  24          HG21      THR  24 -10.144  -7.450   2.573
  174   HG22  THR  24          HG22      THR  24  -8.811  -8.384   1.880
  175   HG23  THR  24          HG23      THR  24  -8.476  -6.961   2.871
  176    H    ASP  25           HN       ASP  25 -10.436 -11.354   1.726
  177    HA   ASP  25           HA       ASP  25  -8.590 -13.411   2.429
  178    HB2  ASP  25           HB2      ASP  25  -9.746 -12.713  -0.304
  179    HB3  ASP  25           HB1      ASP  25  -8.812 -14.163   0.051
  180    H    LEU  26           HN       LEU  26  -6.778 -12.378   2.986
  181    HA   LEU  26           HA       LEU  26  -5.312 -10.924   0.889
  182    HB2  LEU  26           HB2      LEU  26  -6.249  -9.740   2.997
  183    HB3  LEU  26           HB1      LEU  26  -4.994 -10.591   3.862
  184    HG   LEU  26           HG       LEU  26  -3.303  -9.415   2.441
  185   HD11  LEU  26          HD11      LEU  26  -5.727  -7.872   1.513
  186   HD12  LEU  26          HD12      LEU  26  -4.747  -8.950   0.521
  187   HD13  LEU  26          HD13      LEU  26  -4.045  -7.464   1.174
  188   HD21  LEU  26          HD21      LEU  26  -5.227  -7.658   3.955
  189   HD22  LEU  26          HD22      LEU  26  -3.533  -7.291   3.588
  190   HD23  LEU  26          HD23      LEU  26  -3.924  -8.613   4.670
  191    H    SER  27           HN       SER  27  -5.510 -13.830   2.089
  192    HA   SER  27           HA       SER  27  -2.664 -14.186   2.545
  193    HB2  SER  27           HB2      SER  27  -3.363 -16.507   3.323
  194    HB3  SER  27           HB1      SER  27  -3.957 -15.184   4.323
  195    HG   SER  27           HG       SER  27  -5.957 -15.537   3.646
  196    H    GLY  28           HN       GLY  28  -1.782 -16.239   1.453
  197    HA2  GLY  28           HA2      GLY  28  -1.417 -17.389  -0.495
  198    HA3  GLY  28           HA1      GLY  28  -3.020 -16.891  -1.056
  199    H    ASP  29           HN       ASP  29  -2.980 -15.592  -2.756
  200    HA   ASP  29           HA       ASP  29  -0.788 -13.644  -2.917
  201    HB2  ASP  29           HB2      ASP  29  -0.684 -15.179  -4.822
  202    HB3  ASP  29           HB1      ASP  29  -2.372 -14.835  -5.199
  203    H    PHE  30           HN       PHE  30  -1.421 -11.750  -2.433
  204    HA   PHE  30           HA       PHE  30  -4.138 -10.919  -3.164
  205    HB2  PHE  30           HB2      PHE  30  -3.977  -9.243  -1.359
  206    HB3  PHE  30           HB1      PHE  30  -3.769 -10.869  -0.731
  207    HD1  PHE  30           HD2      PHE  30  -1.495 -11.614  -0.013
  208    HD2  PHE  30           HD1      PHE  30  -2.277  -7.602  -1.179
  209    HE1  PHE  30           HE2      PHE  30   0.571 -10.891   1.090
  210    HE2  PHE  30           HE1      PHE  30  -0.200  -6.873  -0.075
  211    HZ   PHE  30           HZ       PHE  30   1.226  -8.517   1.049
  212    H    LEU  31           HN       LEU  31  -1.300 -10.917  -4.456
  213    HA   LEU  31           HA       LEU  31  -0.785  -8.120  -4.726
  214    HB2  LEU  31           HB2      LEU  31   0.574 -10.574  -5.824
  215    HB3  LEU  31           HB1      LEU  31   1.057  -8.946  -6.223
  216    HG   LEU  31           HG       LEU  31   2.576  -9.735  -4.605
  217   HD11  LEU  31          HD11      LEU  31   2.297  -8.224  -2.711
  218   HD12  LEU  31          HD12      LEU  31   0.632  -7.935  -3.198
  219   HD13  LEU  31          HD13      LEU  31   1.954  -7.446  -4.258
  220   HD21  LEU  31          HD21      LEU  31   1.307 -11.617  -3.728
  221   HD22  LEU  31          HD22      LEU  31   0.247 -10.513  -2.844
  222   HD23  LEU  31          HD23      LEU  31   1.954 -10.635  -2.416
  223    H    ASP  32           HN       ASP  32  -2.203 -10.750  -6.523
  224    HA   ASP  32           HA       ASP  32  -2.671  -8.974  -8.815
  225    HB2  ASP  32           HB2      ASP  32  -1.834 -11.367  -9.101
  226    HB3  ASP  32           HB1      ASP  32  -3.412 -11.898  -8.527
  227    H    LEU  33           HN       LEU  33  -3.899  -8.911  -6.108
  228    HA   LEU  33           HA       LEU  33  -6.734  -9.136  -6.809
  229    HB2  LEU  33           HB2      LEU  33  -5.794 -10.317  -4.763
  230    HB3  LEU  33           HB1      LEU  33  -5.424  -8.739  -4.111
  231    HG   LEU  33           HG       LEU  33  -7.845  -8.218  -4.058
  232   HD11  LEU  33          HD11      LEU  33  -9.461  -9.990  -4.431
  233   HD12  LEU  33          HD12      LEU  33  -8.173 -11.096  -4.918
  234   HD13  LEU  33          HD13      LEU  33  -8.548  -9.689  -5.907
  235   HD21  LEU  33          HD21      LEU  33  -8.375  -9.718  -2.217
  236   HD22  LEU  33          HD22      LEU  33  -6.707  -9.160  -2.114
  237   HD23  LEU  33          HD23      LEU  33  -7.066 -10.787  -2.700
  238    H    ARG  34           HN       ARG  34  -7.969  -7.164  -6.417
  239    HA   ARG  34           HA       ARG  34  -6.235  -4.819  -6.790
  240    HB2  ARG  34           HB2      ARG  34  -9.184  -5.068  -7.334
  241    HB3  ARG  34           HB1      ARG  34  -8.133  -3.748  -7.800
  242    HG2  ARG  34           HG2      ARG  34  -6.893  -5.286  -9.286
  243    HG3  ARG  34           HG1      ARG  34  -8.028  -6.571  -8.860
  244    HD2  ARG  34           HD2      ARG  34  -8.662  -5.533 -10.964
  245    HD3  ARG  34           HD1      ARG  34  -9.882  -5.208  -9.737
  246    HE   ARG  34           HE       ARG  34  -7.748  -3.330 -10.426
  247   HH11  ARG  34          HH11      ARG  34 -11.232  -3.931  -9.947
  248   HH12  ARG  34          HH12      ARG  34 -11.649  -2.279  -9.912
  249   HH21  ARG  34          HH21      ARG  34  -8.313  -1.152 -10.383
  250   HH22  ARG  34          HH22      ARG  34  -9.911  -0.605 -10.048
  251    H    PHE  35           HN       PHE  35  -6.555  -2.900  -5.675
  252    HA   PHE  35           HA       PHE  35  -7.286  -3.065  -2.971
  253    HB2  PHE  35           HB2      PHE  35  -6.843  -0.681  -4.758
  254    HB3  PHE  35           HB1      PHE  35  -7.356  -0.487  -3.087
  255    HD1  PHE  35           HD2      PHE  35  -5.873  -1.659  -1.323
  256    HD2  PHE  35           HD1      PHE  35  -4.602  -0.759  -5.273
  257    HE1  PHE  35           HE2      PHE  35  -3.529  -1.754  -0.579
  258    HE2  PHE  35           HE1      PHE  35  -2.267  -0.849  -4.549
  259    HZ   PHE  35           HZ       PHE  35  -1.720  -1.346  -2.198
  260    H    GLU  36           HN       GLU  36  -9.153  -2.078  -5.744
  261    HA   GLU  36           HA       GLU  36 -11.311  -1.038  -4.253
  262    HB2  GLU  36           HB2      GLU  36 -11.176  -1.984  -7.117
  263    HB3  GLU  36           HB1      GLU  36 -12.567  -1.169  -6.406
  264    HG2  GLU  36           HG2      GLU  36 -11.184   0.797  -5.939
  265    HG3  GLU  36           HG1      GLU  36  -9.793  -0.026  -6.642
  266    H    ASP  37           HN       ASP  37 -10.391  -4.266  -5.008
  267    HA   ASP  37           HA       ASP  37 -13.047  -5.294  -4.469
  268    HB2  ASP  37           HB2      ASP  37 -10.474  -6.754  -5.109
  269    HB3  ASP  37           HB1      ASP  37 -12.000  -7.554  -4.735
  270    H    ILE  38           HN       ILE  38 -10.214  -4.542  -2.753
  271    HA   ILE  38           HA       ILE  38 -11.066  -6.249  -0.548
  272    HB   ILE  38           HB       ILE  38  -8.951  -5.648   0.620
  273   HG12  ILE  38          HG12      ILE  38  -8.230  -4.286  -1.993
  274   HG13  ILE  38          HG11      ILE  38  -8.517  -3.480  -0.453
  275   HG21  ILE  38          HG21      ILE  38  -9.091  -7.688  -0.634
  276   HG22  ILE  38          HG22      ILE  38  -7.485  -6.985  -0.737
  277   HG23  ILE  38          HG23      ILE  38  -8.586  -6.849  -2.114
  278   HD11  ILE  38          HD11      ILE  38  -6.286  -5.419  -1.029
  279   HD12  ILE  38          HD12      ILE  38  -6.571  -4.582   0.496
  280   HD13  ILE  38          HD13      ILE  38  -6.136  -3.662  -0.945
  281    H    GLY  39           HN       GLY  39 -12.259  -3.680  -1.494
  282    HA2  GLY  39           HA2      GLY  39 -13.594  -2.166  -0.454
  283    HA3  GLY  39           HA1      GLY  39 -13.061  -2.804   1.083
  284    H    TYR  40           HN       TYR  40 -10.647  -1.567  -1.169
  285    HA   TYR  40           HA       TYR  40 -10.107   0.467   0.787
  286    HB2  TYR  40           HB2      TYR  40  -8.427  -0.574  -1.490
  287    HB3  TYR  40           HB1      TYR  40  -8.180   1.051  -0.902
  288    HD1  TYR  40           HD2      TYR  40  -9.053  -2.019   1.024
  289    HD2  TYR  40           HD1      TYR  40  -6.204   1.033   0.231
  290    HE1  TYR  40           HE2      TYR  40  -7.695  -2.798   2.906
  291    HE2  TYR  40           HE1      TYR  40  -4.847   0.272   2.125
  292    HH   TYR  40           HH       TYR  40  -5.541  -2.647   3.847
  293    H    ASP  41           HN       ASP  41 -10.401   2.440   0.738
  294    HA   ASP  41           HA       ASP  41 -11.617   3.724  -1.599
  295    HB2  ASP  41           HB2      ASP  41 -12.759   3.796   0.736
  296    HB3  ASP  41           HB1      ASP  41 -11.361   4.751   1.230
  297    H    SER  42           HN       SER  42 -10.857   6.216  -1.286
  298    HA   SER  42           HA       SER  42  -8.147   6.279  -2.084
  299    HB2  SER  42           HB2      SER  42  -9.748   7.824  -3.030
  300    HB3  SER  42           HB1      SER  42 -10.169   8.423  -1.416
  301    H    LEU  43           HN       LEU  43  -9.981   7.179   0.784
  302    HA   LEU  43           HA       LEU  43  -8.004   8.466   2.258
  303    HB2  LEU  43           HB2      LEU  43 -10.227   6.729   3.318
  304    HB3  LEU  43           HB1      LEU  43  -9.285   7.870   4.257
  305    HG   LEU  43           HG       LEU  43 -11.214   8.543   2.040
  306   HD11  LEU  43          HD11      LEU  43 -11.327   8.967   5.018
  307   HD12  LEU  43          HD12      LEU  43 -12.301   7.835   4.084
  308   HD13  LEU  43          HD13      LEU  43 -12.495   9.576   3.850
  309   HD21  LEU  43          HD21      LEU  43 -10.785  10.879   2.642
  310   HD22  LEU  43          HD22      LEU  43  -9.304  10.082   2.097
  311   HD23  LEU  43          HD23      LEU  43  -9.579  10.339   3.817
  312    H    ALA  44           HN       ALA  44  -9.005   5.074   2.478
  313    HA   ALA  44           HA       ALA  44  -7.070   4.154   4.179
  314    HB1  ALA  44           HB1      ALA  44  -8.320   2.630   1.902
  315    HB2  ALA  44           HB2      ALA  44  -9.037   2.869   3.494
  316    HB3  ALA  44           HB3      ALA  44  -7.554   1.940   3.337
  317    H    LEU  45           HN       LEU  45  -6.864   4.581   0.664
  318    HA   LEU  45           HA       LEU  45  -4.430   3.199   0.284
  319    HB2  LEU  45           HB2      LEU  45  -6.181   4.215  -1.426
  320    HB3  LEU  45           HB1      LEU  45  -5.135   5.613  -1.354
  321    HG   LEU  45           HG       LEU  45  -4.330   4.574  -3.223
  322   HD11  LEU  45          HD11      LEU  45  -2.427   4.786  -1.778
  323   HD12  LEU  45          HD12      LEU  45  -2.287   3.359  -2.832
  324   HD13  LEU  45          HD13      LEU  45  -2.752   3.166  -1.139
  325   HD21  LEU  45          HD21      LEU  45  -5.814   2.671  -3.116
  326   HD22  LEU  45          HD22      LEU  45  -4.650   1.874  -2.008
  327   HD23  LEU  45          HD23      LEU  45  -4.172   2.314  -3.655
  328    H    MET  46           HN       MET  46  -5.129   6.665   0.747
  329    HA   MET  46           HA       MET  46  -2.554   7.787   0.667
  330    HB2  MET  46           HB2      MET  46  -4.504   8.659   2.802
  331    HB3  MET  46           HB1      MET  46  -3.350   9.626   1.896
  332    HG2  MET  46           HG2      MET  46  -4.760   9.324  -0.070
  333    HG3  MET  46           HG1      MET  46  -5.874   8.420   0.947
  334    HE1  MET  46           HE1      MET  46  -5.511  10.061   3.731
  335    HE2  MET  46           HE2      MET  46  -7.043   9.418   3.156
  336    HE3  MET  46           HE3      MET  46  -6.920  11.115   3.642
  337    H    GLU  47           HN       GLU  47  -4.432   6.705   3.366
  338    HA   GLU  47           HA       GLU  47  -2.661   6.993   5.440
  339    HB2  GLU  47           HB2      GLU  47  -5.068   5.598   4.740
  340    HB3  GLU  47           HB1      GLU  47  -4.397   5.139   6.351
  341    HG2  GLU  47           HG2      GLU  47  -5.268   7.828   5.259
  342    HG3  GLU  47           HG1      GLU  47  -6.145   6.884   6.453
  343    H    THR  48           HN       THR  48  -3.217   4.160   3.382
  344    HA   THR  48           HA       THR  48  -1.493   2.303   4.574
  345    HB   THR  48           HB       THR  48  -2.090   2.763   1.623
  346    HG1  THR  48           HG1      THR  48  -3.907   2.325   3.034
  347   HG21  THR  48          HG21      THR  48  -1.467   0.475   1.245
  348   HG22  THR  48          HG22      THR  48  -1.126   0.230   2.959
  349   HG23  THR  48          HG23      THR  48  -0.096   1.299   1.999
  350    H    ALA  49           HN       ALA  49  -0.842   4.519   1.860
  351    HA   ALA  49           HA       ALA  49   1.894   3.978   1.627
  352    HB1  ALA  49           HB1      ALA  49   0.569   5.006  -0.159
  353    HB2  ALA  49           HB2      ALA  49   2.000   5.962   0.218
  354    HB3  ALA  49           HB3      ALA  49   0.417   6.478   0.793
  355    H    ALA  50           HN       ALA  50   0.165   6.564   3.316
  356    HA   ALA  50           HA       ALA  50   2.337   8.090   4.141
  357    HB1  ALA  50           HB1      ALA  50   0.861   9.086   5.759
  358    HB2  ALA  50           HB2      ALA  50  -0.276   7.745   5.593
  359    HB3  ALA  50           HB3      ALA  50  -0.003   8.842   4.240
  360    H    ARG  51           HN       ARG  51   0.734   5.389   5.784
  361    HA   ARG  51           HA       ARG  51   2.246   5.509   8.158
  362    HB2  ARG  51           HB2      ARG  51   0.114   4.280   8.010
  363    HB3  ARG  51           HB1      ARG  51   0.819   3.158   6.861
  364    HG2  ARG  51           HG2      ARG  51   1.955   3.403   9.629
  365    HG3  ARG  51           HG1      ARG  51   0.490   2.469   9.358
  366    HD2  ARG  51           HD2      ARG  51   1.673   0.998   7.825
  367    HD3  ARG  51           HD1      ARG  51   3.103   2.020   7.906
  368    HE   ARG  51           HE       ARG  51   2.862   1.392  10.438
  369   HH11  ARG  51          HH11      ARG  51   2.494  -0.739   7.643
  370   HH12  ARG  51          HH12      ARG  51   3.114  -2.133   8.431
  371   HH21  ARG  51          HH21      ARG  51   3.762  -0.566  11.528
  372   HH22  ARG  51          HH22      ARG  51   3.831  -2.009  10.676
  373    H    LEU  52           HN       LEU  52   2.838   4.104   5.058
  374    HA   LEU  52           HA       LEU  52   5.139   2.641   5.945
  375    HB2  LEU  52           HB2      LEU  52   4.202   3.273   3.149
  376    HB3  LEU  52           HB1      LEU  52   5.480   2.146   3.566
  377    HG   LEU  52           HG       LEU  52   2.558   1.825   4.306
  378   HD11  LEU  52          HD11      LEU  52   4.216   0.349   2.292
  379   HD12  LEU  52          HD12      LEU  52   2.941   1.508   1.937
  380   HD13  LEU  52          HD13      LEU  52   2.548  -0.016   2.741
  381   HD21  LEU  52          HD21      LEU  52   4.023   0.851   5.989
  382   HD22  LEU  52          HD22      LEU  52   4.918  -0.007   4.741
  383   HD23  LEU  52          HD23      LEU  52   3.227  -0.418   5.054
  384    H    GLU  53           HN       GLU  53   4.528   5.776   4.456
  385    HA   GLU  53           HA       GLU  53   7.118   6.502   3.684
  386    HB2  GLU  53           HB2      GLU  53   4.937   8.286   4.785
  387    HB3  GLU  53           HB1      GLU  53   6.395   8.861   4.006
  388    HG2  GLU  53           HG2      GLU  53   5.677   7.724   1.933
  389    HG3  GLU  53           HG1      GLU  53   4.185   7.257   2.754
  390    H    SER  54           HN       SER  54   5.467   7.108   6.789
  391    HA   SER  54           HA       SER  54   7.608   8.472   8.004
  392    HB2  SER  54           HB2      SER  54   6.214   8.033  10.065
  393    HB3  SER  54           HB1      SER  54   5.389   8.848   8.739
  394    HG   SER  54           HG       SER  54   4.183   7.077   9.663
  395    H    ARG  55           HN       ARG  55   6.880   5.162   7.642
  396    HA   ARG  55           HA       ARG  55   8.559   4.342   9.841
  397    HB2  ARG  55           HB2      ARG  55   6.524   3.116   9.464
  398    HB3  ARG  55           HB1      ARG  55   7.011   2.738   7.827
  399    HG2  ARG  55           HG2      ARG  55   8.810   1.344   8.657
  400    HG3  ARG  55           HG1      ARG  55   8.402   1.778  10.321
  401    HD2  ARG  55           HD2      ARG  55   6.309   0.718  10.183
  402    HD3  ARG  55           HD1      ARG  55   6.435   0.528   8.436
  403    HE   ARG  55           HE       ARG  55   8.325  -0.847  10.213
  404   HH11  ARG  55          HH11      ARG  55   5.770  -0.966   7.772
  405   HH12  ARG  55          HH12      ARG  55   6.038  -2.620   7.412
  406   HH21  ARG  55          HH21      ARG  55   8.594  -3.126   9.771
  407   HH22  ARG  55          HH22      ARG  55   7.541  -3.837   8.600
  408    H    TYR  56           HN       TYR  56   8.614   3.970   6.297
  409    HA   TYR  56           HA       TYR  56  11.225   2.767   6.503
  410    HB2  TYR  56           HB2      TYR  56   9.403   3.243   4.148
  411    HB3  TYR  56           HB1      TYR  56  11.039   2.610   3.970
  412    HD1  TYR  56           HD2      TYR  56   7.669   1.903   5.231
  413    HD2  TYR  56           HD1      TYR  56  11.580   0.311   4.656
  414    HE1  TYR  56           HE2      TYR  56   6.806  -0.349   5.623
  415    HE2  TYR  56           HE1      TYR  56  10.719  -1.951   5.049
  416    HH   TYR  56           HH       TYR  56   8.819  -3.122   6.053
  417    H    GLY  57           HN       GLY  57   9.923   5.896   5.721
  418    HA2  GLY  57           HA2      GLY  57  11.241   7.832   5.785
  419    HA3  GLY  57           HA1      GLY  57  12.667   6.854   5.427
  420    H    VAL  58           HN       VAL  58   9.524   7.127   3.807
  421    HA   VAL  58           HA       VAL  58  10.955   7.935   1.376
  422    HB   VAL  58           HB       VAL  58   9.416   6.638  -0.039
  423   HG11  VAL  58          HG11      VAL  58  10.639   4.937   2.100
  424   HG12  VAL  58          HG12      VAL  58  11.469   5.540   0.655
  425   HG13  VAL  58          HG13      VAL  58  10.145   4.374   0.505
  426   HG21  VAL  58          HG21      VAL  58   8.246   5.571   2.542
  427   HG22  VAL  58          HG22      VAL  58   7.854   5.010   0.916
  428   HG23  VAL  58          HG23      VAL  58   7.439   6.658   1.406
  429    H    SER  59           HN       SER  59   8.923   8.532  -0.309
  430    HA   SER  59           HA       SER  59   6.885  10.027   1.019
  431    HB2  SER  59           HB2      SER  59   8.978  11.405  -0.709
  432    HB3  SER  59           HB1      SER  59   7.491  12.154  -0.133
  433    HG   SER  59           HG       SER  59   8.675  11.049   1.931
  434    H    ILE  60           HN       ILE  60   5.131   9.772  -0.119
  435    HA   ILE  60           HA       ILE  60   5.312   9.274  -3.017
  436    HB   ILE  60           HB       ILE  60   3.427   7.887  -1.065
  437   HG12  ILE  60          HG12      ILE  60   5.594   6.726  -2.836
  438   HG13  ILE  60          HG11      ILE  60   5.718   6.925  -1.101
  439   HG21  ILE  60          HG21      ILE  60   2.542   6.667  -3.018
  440   HG22  ILE  60          HG22      ILE  60   3.566   7.637  -4.074
  441   HG23  ILE  60          HG23      ILE  60   2.270   8.406  -3.162
  442   HD11  ILE  60          HD11      ILE  60   3.879   5.341  -0.796
  443   HD12  ILE  60          HD12      ILE  60   5.220   4.634  -1.698
  444   HD13  ILE  60          HD13      ILE  60   3.767   5.159  -2.546
  445    HA   PRO  61           HA       PRO  61   2.588  12.827  -2.955
  446    HB2  PRO  61           HB2      PRO  61   2.216  12.068  -5.797
  447    HB3  PRO  61           HB1      PRO  61   2.772  13.601  -5.112
  448    HG2  PRO  61           HG2      PRO  61   4.464  11.955  -6.365
  449    HG3  PRO  61           HG1      PRO  61   4.966  12.870  -4.932
  450    HD2  PRO  61           HD2      PRO  61   4.162  10.000  -5.165
  451    HD3  PRO  61           HD1      PRO  61   5.487  10.719  -4.226
  452    H    ASP  62           HN       ASP  62   0.496  12.992  -2.702
  453    HA   ASP  62           HA       ASP  62  -1.179  10.848  -2.220
  454    HB2  ASP  62           HB2      ASP  62  -3.079  12.525  -2.277
  455    HB3  ASP  62           HB1      ASP  62  -1.743  12.905  -1.199
  456    H    ASP  63           HN       ASP  63  -0.896  12.669  -5.207
  457    HA   ASP  63           HA       ASP  63  -3.103  11.657  -6.627
  458    HB2  ASP  63           HB2      ASP  63  -1.725  13.536  -7.421
  459    HB3  ASP  63           HB1      ASP  63  -0.374  12.436  -7.664
  460    H    VAL  64           HN       VAL  64   0.101  10.362  -6.091
  461    HA   VAL  64           HA       VAL  64  -0.083   8.383  -8.132
  462    HB   VAL  64           HB       VAL  64   1.987   8.645  -5.932
  463   HG11  VAL  64          HG11      VAL  64   2.130   7.155  -8.549
  464   HG12  VAL  64          HG12      VAL  64   2.011   6.423  -6.948
  465   HG13  VAL  64          HG13      VAL  64   3.452   7.334  -7.394
  466   HG21  VAL  64          HG21      VAL  64   2.017   9.700  -8.755
  467   HG22  VAL  64          HG22      VAL  64   3.361   9.780  -7.611
  468   HG23  VAL  64          HG23      VAL  64   1.865  10.651  -7.279
  469    H    ALA  65           HN       ALA  65  -1.166   8.448  -4.865
  470    HA   ALA  65           HA       ALA  65  -1.013   5.675  -4.388
  471    HB1  ALA  65           HB1      ALA  65  -2.523   6.203  -2.521
  472    HB2  ALA  65           HB2      ALA  65  -2.692   7.859  -3.130
  473    HB3  ALA  65           HB3      ALA  65  -1.124   7.270  -2.559
  474    H    GLY  66           HN       GLY  66  -3.312   7.939  -5.759
  475    HA2  GLY  66           HA2      GLY  66  -5.375   5.953  -6.095
  476    HA3  GLY  66           HA1      GLY  66  -5.386   7.601  -6.712
  477    H    ARG  67           HN       ARG  67  -2.484   6.353  -7.601
  478    HA   ARG  67           HA       ARG  67  -3.503   5.800 -10.259
  479    HB2  ARG  67           HB2      ARG  67  -0.672   6.322  -9.373
  480    HB3  ARG  67           HB1      ARG  67  -1.221   6.150 -11.027
  481    HG2  ARG  67           HG2      ARG  67  -1.926   8.356  -9.109
  482    HG3  ARG  67           HG1      ARG  67  -0.872   8.472 -10.517
  483    HD2  ARG  67           HD2      ARG  67  -2.736   8.077 -11.992
  484    HD3  ARG  67           HD1      ARG  67  -3.801   7.772 -10.613
  485    HE   ARG  67           HE       ARG  67  -2.559  10.328 -10.487
  486   HH11  ARG  67          HH11      ARG  67  -5.350   8.562 -11.807
  487   HH12  ARG  67          HH12      ARG  67  -6.283   9.956 -12.075
  488   HH21  ARG  67          HH21      ARG  67  -3.847  12.222 -10.808
  489   HH22  ARG  67          HH22      ARG  67  -5.392  12.108 -11.559
  490    H    VAL  68           HN       VAL  68  -2.686   4.041  -7.579
  491    HA   VAL  68           HA       VAL  68  -1.511   1.961  -9.206
  492    HB   VAL  68           HB       VAL  68  -1.114   0.628  -7.124
  493   HG11  VAL  68          HG11      VAL  68  -0.074   3.436  -7.023
  494   HG12  VAL  68          HG12      VAL  68   0.600   2.096  -7.953
  495   HG13  VAL  68          HG13      VAL  68   0.623   2.043  -6.191
  496   HG21  VAL  68          HG21      VAL  68  -1.389   1.673  -4.950
  497   HG22  VAL  68          HG22      VAL  68  -2.958   1.452  -5.739
  498   HG23  VAL  68          HG23      VAL  68  -2.208   3.050  -5.689
  499    H    ASP  69           HN       ASP  69  -2.459  -0.400  -8.133
  500    HA   ASP  69           HA       ASP  69  -5.376  -0.268  -8.429
  501    HB2  ASP  69           HB2      ASP  69  -4.241  -0.538 -10.769
  502    HB3  ASP  69           HB1      ASP  69  -3.772  -2.113 -10.179
  503    H    THR  70           HN       THR  70  -2.618  -2.482  -8.528
  504    HA   THR  70           HA       THR  70  -3.927  -4.179  -6.585
  505    HB   THR  70           HB       THR  70  -2.339  -5.889  -7.484
  506    HG1  THR  70           HG1      THR  70  -1.357  -5.125  -9.565
  507   HG21  THR  70          HG21      THR  70  -3.364  -6.094  -9.726
  508   HG22  THR  70          HG22      THR  70  -3.913  -4.417  -9.606
  509   HG23  THR  70          HG23      THR  70  -4.569  -5.636  -8.510
  510    HA   PRO  71           HA       PRO  71  -1.056  -2.971  -3.429
  511    HB2  PRO  71           HB2      PRO  71  -0.553  -5.870  -2.972
  512    HB3  PRO  71           HB1      PRO  71  -1.052  -4.612  -1.826
  513    HG2  PRO  71           HG2      PRO  71  -2.830  -6.352  -2.693
  514    HG3  PRO  71           HG1      PRO  71  -3.258  -4.638  -2.558
  515    HD2  PRO  71           HD2      PRO  71  -2.528  -6.213  -4.992
  516    HD3  PRO  71           HD1      PRO  71  -3.824  -5.017  -4.776
  517    H    ARG  72           HN       ARG  72   0.011  -5.276  -5.813
  518    HA   ARG  72           HA       ARG  72   2.749  -5.250  -5.069
  519    HB2  ARG  72           HB2      ARG  72   3.232  -6.414  -7.079
  520    HB3  ARG  72           HB1      ARG  72   1.667  -7.000  -6.556
  521    HG2  ARG  72           HG2      ARG  72   0.563  -5.643  -8.219
  522    HG3  ARG  72           HG1      ARG  72   2.106  -4.917  -8.680
  523    HD2  ARG  72           HD2      ARG  72   1.734  -6.551 -10.295
  524    HD3  ARG  72           HD1      ARG  72   2.873  -7.296  -9.184
  525    HE   ARG  72           HE       ARG  72   0.000  -7.848  -9.338
  526   HH11  ARG  72          HH11      ARG  72   3.172  -8.922  -8.086
  527   HH12  ARG  72          HH12      ARG  72   2.768 -10.567  -8.164
  528   HH21  ARG  72          HH21      ARG  72  -0.510 -10.071  -9.392
  529   HH22  ARG  72          HH22      ARG  72   0.590 -11.262  -8.860
  530    H    GLU  73           HN       GLU  73   0.774  -3.103  -6.937
  531    HA   GLU  73           HA       GLU  73   2.981  -1.697  -8.128
  532    HB2  GLU  73           HB2      GLU  73   0.077  -0.872  -7.848
  533    HB3  GLU  73           HB1      GLU  73   1.266  -0.068  -8.857
  534    HG2  GLU  73           HG2      GLU  73   0.176  -2.851  -9.213
  535    HG3  GLU  73           HG1      GLU  73  -0.139  -1.439 -10.225
  536    H    LEU  74           HN       LEU  74   0.991  -1.425  -5.282
  537    HA   LEU  74           HA       LEU  74   1.738   1.175  -4.387
  538    HB2  LEU  74           HB2      LEU  74  -0.169  -0.397  -3.547
  539    HB3  LEU  74           HB1      LEU  74   1.145  -1.213  -2.707
  540    HG   LEU  74           HG       LEU  74  -0.298   0.378  -1.280
  541   HD11  LEU  74          HD11      LEU  74   2.662   0.819  -1.335
  542   HD12  LEU  74          HD12      LEU  74   1.797  -0.445  -0.456
  543   HD13  LEU  74          HD13      LEU  74   1.579   1.251  -0.010
  544   HD21  LEU  74          HD21      LEU  74   0.294   2.748  -1.384
  545   HD22  LEU  74          HD22      LEU  74  -0.470   2.191  -2.876
  546   HD23  LEU  74          HD23      LEU  74   1.276   2.433  -2.817
  547    H    LEU  75           HN       LEU  75   2.830  -2.087  -3.701
  548    HA   LEU  75           HA       LEU  75   4.881  -1.644  -1.915
  549    HB2  LEU  75           HB2      LEU  75   3.767  -3.734  -2.395
  550    HB3  LEU  75           HB1      LEU  75   4.440  -3.736  -4.013
  551    HG   LEU  75           HG       LEU  75   6.649  -3.859  -3.014
  552   HD11  LEU  75          HD11      LEU  75   6.156  -2.975  -0.806
  553   HD12  LEU  75          HD12      LEU  75   6.810  -4.608  -0.648
  554   HD13  LEU  75          HD13      LEU  75   5.083  -4.335  -0.479
  555   HD21  LEU  75          HD21      LEU  75   5.492  -5.753  -3.904
  556   HD22  LEU  75          HD22      LEU  75   4.710  -6.043  -2.347
  557   HD23  LEU  75          HD23      LEU  75   6.465  -6.255  -2.511
  558    H    ASP  76           HN       ASP  76   4.774  -1.598  -5.406
  559    HA   ASP  76           HA       ASP  76   7.528  -1.556  -5.999
  560    HB2  ASP  76           HB2      ASP  76   5.929  -2.057  -7.739
  561    HB3  ASP  76           HB1      ASP  76   5.160  -0.486  -7.539
  562    H    LEU  77           HN       LEU  77   5.160   0.988  -5.485
  563    HA   LEU  77           HA       LEU  77   6.701   3.237  -6.016
  564    HB2  LEU  77           HB2      LEU  77   4.564   2.851  -3.950
  565    HB3  LEU  77           HB1      LEU  77   5.160   4.404  -4.496
  566    HG   LEU  77           HG       LEU  77   3.628   2.384  -6.118
  567   HD11  LEU  77          HD11      LEU  77   2.868   5.110  -5.084
  568   HD12  LEU  77          HD12      LEU  77   2.302   3.569  -4.457
  569   HD13  LEU  77          HD13      LEU  77   1.865   4.062  -6.097
  570   HD21  LEU  77          HD21      LEU  77   3.621   4.071  -7.893
  571   HD22  LEU  77          HD22      LEU  77   5.275   3.604  -7.493
  572   HD23  LEU  77          HD23      LEU  77   4.617   5.125  -6.890
  573    H    ILE  78           HN       ILE  78   6.177   1.519  -2.991
  574    HA   ILE  78           HA       ILE  78   7.721   3.114  -1.293
  575    HB   ILE  78           HB       ILE  78   7.200   0.136  -1.112
  576   HG12  ILE  78          HG12      ILE  78   5.139   1.491  -1.136
  577   HG13  ILE  78          HG11      ILE  78   5.399   0.736   0.435
  578   HG21  ILE  78          HG21      ILE  78   8.143   2.043   1.036
  579   HG22  ILE  78          HG22      ILE  78   9.116   0.784   0.273
  580   HG23  ILE  78          HG23      ILE  78   7.737   0.342   1.276
  581   HD11  ILE  78          HD11      ILE  78   6.003   3.606  -0.250
  582   HD12  ILE  78          HD12      ILE  78   6.213   2.842   1.326
  583   HD13  ILE  78          HD13      ILE  78   4.596   3.030   0.642
  584    H    ASN  79           HN       ASN  79   8.610  -0.023  -2.719
  585    HA   ASN  79           HA       ASN  79  11.288   0.127  -1.846
  586    HB2  ASN  79           HB2      ASN  79  10.090  -1.633  -3.983
  587    HB3  ASN  79           HB1      ASN  79  11.721  -1.798  -3.343
  588   HD21  ASN  79          HD21      ASN  79   9.731  -3.760  -3.275
  589   HD22  ASN  79          HD22      ASN  79   9.345  -4.098  -1.614
  590    H    GLY  80           HN       GLY  80   9.760   1.343  -4.679
  591    HA2  GLY  80           HA2      GLY  80  12.141   1.727  -6.191
  592    HA3  GLY  80           HA1      GLY  80  10.597   2.532  -6.458
  593    H    ALA  81           HN       ALA  81  10.166   3.860  -4.144
  594    HA   ALA  81           HA       ALA  81  11.872   6.108  -4.418
  595    HB1  ALA  81           HB1      ALA  81   9.843   5.510  -2.266
  596    HB2  ALA  81           HB2      ALA  81   9.513   6.322  -3.803
  597    HB3  ALA  81           HB3      ALA  81  10.558   7.085  -2.604
  598    H    LEU  82           HN       LEU  82  11.712   3.446  -2.093
  599    HA   LEU  82           HA       LEU  82  13.381   4.482  -0.130
  600    HB2  LEU  82           HB2      LEU  82  11.925   2.561   0.188
  601    HB3  LEU  82           HB1      LEU  82  12.848   1.640  -0.981
  602    HG   LEU  82           HG       LEU  82  14.775   1.806   0.448
  603   HD11  LEU  82          HD11      LEU  82  12.841   3.009   2.445
  604   HD12  LEU  82          HD12      LEU  82  14.237   3.803   1.711
  605   HD13  LEU  82          HD13      LEU  82  14.477   2.470   2.842
  606   HD21  LEU  82          HD21      LEU  82  14.006   0.151   2.129
  607   HD22  LEU  82          HD22      LEU  82  13.408  -0.185   0.509
  608   HD23  LEU  82          HD23      LEU  82  12.342   0.546   1.710
  609    H    ALA  83           HN       ALA  83  14.058   2.708  -3.085
  610    HA   ALA  83           HA       ALA  83  16.748   2.080  -2.568
  611    HB1  ALA  83           HB1      ALA  83  15.410   2.428  -5.234
  612    HB2  ALA  83           HB2      ALA  83  15.356   0.970  -4.253
  613    HB3  ALA  83           HB3      ALA  83  16.899   1.536  -4.917
  614    H    GLU  84           HN       GLU  84  15.281   5.100  -3.549
  615    HA   GLU  84           HA       GLU  84  17.572   6.209  -4.791
  616    HB2  GLU  84           HB2      GLU  84  15.200   7.588  -3.547
  617    HB3  GLU  84           HB1      GLU  84  16.349   8.244  -4.689
  618    HG2  GLU  84           HG2      GLU  84  15.497   6.667  -6.390
  619    HG3  GLU  84           HG1      GLU  84  14.292   6.119  -5.218
  620    H    ALA  85           HN       ALA  85  16.394   5.839  -1.547
  621    HA   ALA  85           HA       ALA  85  18.229   7.915  -0.600
  622    HB1  ALA  85           HB1      ALA  85  15.869   6.713   0.830
  623    HB2  ALA  85           HB2      ALA  85  15.876   8.256  -0.020
  624    HB3  ALA  85           HB3      ALA  85  16.886   8.034   1.408
  625    H    ALA  86           HN       ALA  86  17.345   4.515  -0.168
  626    HA   ALA  86           HA       ALA  86  19.784   4.193   1.403
  627    HB1  ALA  86           HB1      ALA  86  17.876   4.204   2.946
  628    HB2  ALA  86           HB2      ALA  86  18.622   2.601   2.852
  629    HB3  ALA  86           HB3      ALA  86  17.109   2.924   2.000
  630   H28A  SDO 101          H28A      SDO  42  -6.705  10.710  -1.368
  631   H28B  SDO 101          H28B      SDO  42  -5.156  10.703  -2.206
  632   H30A  SDO 101          H30A      SDO  42  -6.163  12.775  -0.266
  633   H30B  SDO 101          H30B      SDO  42  -5.643  14.183  -1.179
  634   H30C  SDO 101          H30C      SDO  42  -4.587  12.768  -1.062
  635   H31A  SDO 101          H31A      SDO  42  -4.490  12.662  -3.519
  636   H31B  SDO 101          H31B      SDO  42  -5.645  14.035  -3.682
  637   H31C  SDO 101          H31C      SDO  42  -6.012  12.460  -4.420
  638   H32A  SDO 101          H32A      SDO  42  -8.240  12.635  -1.621
  639   H33A  SDO 101          H33A      SDO  42  -7.882  11.517  -3.697
  640   H36A  SDO 101          H36A      SDO  42  -9.800  14.017  -3.218
  641   H37A  SDO 101          H37A      SDO  42  -8.945  16.840  -3.282
  642   H37B  SDO 101          H37B      SDO  42 -10.402  16.181  -4.027
  643   H38A  SDO 101          H38A      SDO  42 -10.966  17.563  -2.075
  644   H38B  SDO 101          H38B      SDO  42 -11.401  15.876  -1.796
  645   H41A  SDO 101          H41A      SDO  42 -10.312  14.676  -0.315
  646   H42A  SDO 101          H42A      SDO  42  -8.031  14.855   0.917
  647   H42B  SDO 101          H42B      SDO  42  -8.943  16.082   1.816
  648   H43A  SDO 101          H43A      SDO  42  -9.795  13.272   1.320
  649   H43B  SDO 101          H43B      SDO  42 -10.517  14.343   2.507
  650    H1A  SDO 101           H1A      SDO  42  -6.750  14.275   4.519
  651    H1B  SDO 101           H1B      SDO  42  -6.204  13.125   3.329
  652    H2A  SDO 101           H2A      SDO  42  -7.112  15.916   2.743
  653    H2B  SDO 101           H2B      SDO  42  -6.488  14.773   1.583
  654    H4A  SDO 101           H4A      SDO  42  -3.535  16.057   4.388
  655    H4B  SDO 101           H4B      SDO  42  -2.968  14.882   3.228
  656    H5A  SDO 101           H5A      SDO  42  -4.461  13.191   4.168
  657    H5B  SDO 101           H5B      SDO  42  -4.989  14.348   5.375
  658    H6A  SDO 101           H6A      SDO  42  -2.748  14.525   6.257
  659    H6B  SDO 101           H6B      SDO  42  -2.154  13.402   5.037
  660    H8A  SDO 101           H8A      SDO  42  -4.659  10.975   5.876
  661    H8B  SDO 101           H8B      SDO  42  -5.410  12.561   6.124
  662    H8C  SDO 101           H8C      SDO  42  -5.004  11.547   7.511
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  22.783  -4.716   0.943
    2    H2   MET   1           HT2      MET   1  23.033  -6.385   1.028
    3    H3   MET   1           HT3      MET   1  23.033  -5.445   2.447
    4    HA   MET   1           HA       MET   1  20.785  -5.725   0.547
    5    HB2  MET   1           HB2      MET   1  19.643  -7.141   2.159
    6    HB3  MET   1           HB1      MET   1  21.186  -7.863   1.747
    7    HG2  MET   1           HG2      MET   1  22.129  -7.084   3.852
    8    HG3  MET   1           HG1      MET   1  20.603  -6.294   4.249
    9    HE1  MET   1           HE1      MET   1  18.457  -8.446   3.245
   10    HE2  MET   1           HE2      MET   1  18.353  -7.603   4.792
   11    HE3  MET   1           HE3      MET   1  18.205  -9.352   4.738
   12    H    ALA   2           HN       ALA   2  18.842  -4.839   1.261
   13    HA   ALA   2           HA       ALA   2  18.997  -2.967   3.494
   14    HB1  ALA   2           HB1      ALA   2  17.760  -1.303   2.137
   15    HB2  ALA   2           HB2      ALA   2  17.881  -2.378   0.741
   16    HB3  ALA   2           HB3      ALA   2  19.338  -1.670   1.429
   17    H    THR   3           HN       THR   3  16.729  -2.390   4.192
   18    HA   THR   3           HA       THR   3  15.121  -4.756   4.292
   19    HB   THR   3           HB       THR   3  14.408  -1.967   5.276
   20    HG1  THR   3           HG1      THR   3  16.393  -2.713   6.070
   21   HG21  THR   3          HG21      THR   3  13.492  -4.717   6.165
   22   HG22  THR   3          HG22      THR   3  12.522  -3.573   5.242
   23   HG23  THR   3          HG23      THR   3  13.003  -3.190   6.895
   24    H    LEU   4           HN       LEU   4  14.807  -4.924   2.026
   25    HA   LEU   4           HA       LEU   4  13.107  -3.022   0.642
   26    HB2  LEU   4           HB2      LEU   4  15.056  -4.486  -0.287
   27    HB3  LEU   4           HB1      LEU   4  13.866  -5.774  -0.301
   28    HG   LEU   4           HG       LEU   4  12.467  -4.317  -1.786
   29   HD11  LEU   4          HD11      LEU   4  15.004  -2.676  -1.865
   30   HD12  LEU   4          HD12      LEU   4  13.435  -2.153  -1.248
   31   HD13  LEU   4          HD13      LEU   4  13.642  -2.478  -2.960
   32   HD21  LEU   4          HD21      LEU   4  13.796  -4.809  -3.786
   33   HD22  LEU   4          HD22      LEU   4  13.822  -6.155  -2.654
   34   HD23  LEU   4          HD23      LEU   4  15.212  -5.078  -2.776
   35    H    LEU   5           HN       LEU   5  10.937  -3.164   0.798
   36    HA   LEU   5           HA       LEU   5   9.796  -5.094   2.525
   37    HB2  LEU   5           HB2      LEU   5   8.511  -3.015   0.805
   38    HB3  LEU   5           HB1      LEU   5   7.586  -4.092   1.813
   39    HG   LEU   5           HG       LEU   5   9.067  -3.145   3.718
   40   HD11  LEU   5          HD11      LEU   5   9.329  -0.944   1.680
   41   HD12  LEU   5          HD12      LEU   5  10.633  -1.899   2.383
   42   HD13  LEU   5          HD13      LEU   5   9.701  -0.800   3.402
   43   HD21  LEU   5          HD21      LEU   5   6.823  -1.610   2.412
   44   HD22  LEU   5          HD22      LEU   5   7.406  -1.378   4.070
   45   HD23  LEU   5          HD23      LEU   5   6.713  -2.929   3.592
   46    H    THR   6           HN       THR   6   8.570  -6.765   2.211
   47    HA   THR   6           HA       THR   6   8.258  -7.703  -0.521
   48    HB   THR   6           HB       THR   6   8.129  -9.975   0.608
   49    HG1  THR   6           HG1      THR   6   8.785 -10.135   2.690
   50   HG21  THR   6          HG21      THR   6  10.144  -9.206  -0.580
   51   HG22  THR   6          HG22      THR   6  10.561 -10.184   0.827
   52   HG23  THR   6          HG23      THR   6  10.717  -8.424   0.895
   53    H    THR   7           HN       THR   7   6.438  -9.633  -0.259
   54    HA   THR   7           HA       THR   7   3.975  -8.525  -0.236
   55    HB   THR   7           HB       THR   7   4.359 -11.347   0.565
   56    HG1  THR   7           HG1      THR   7   5.067 -11.162  -1.998
   57   HG21  THR   7          HG21      THR   7   3.047  -9.957  -1.776
   58   HG22  THR   7          HG22      THR   7   2.225 -10.441  -0.299
   59   HG23  THR   7          HG23      THR   7   2.896 -11.667  -1.393
   60    H    ASP   8           HN       ASP   8   5.601 -10.448   2.280
   61    HA   ASP   8           HA       ASP   8   3.555 -10.738   4.103
   62    HB2  ASP   8           HB2      ASP   8   6.524 -10.595   4.668
   63    HB3  ASP   8           HB1      ASP   8   5.315 -11.120   5.827
   64    H    ASP   9           HN       ASP   9   5.903  -8.085   3.947
   65    HA   ASP   9           HA       ASP   9   4.925  -6.963   6.409
   66    HB2  ASP   9           HB2      ASP   9   7.310  -6.507   5.428
   67    HB3  ASP   9           HB1      ASP   9   6.477  -5.400   4.370
   68    H    LEU  10           HN       LEU  10   4.364  -6.375   3.000
   69    HA   LEU  10           HA       LEU  10   2.827  -4.033   3.300
   70    HB2  LEU  10           HB2      LEU  10   3.723  -4.769   1.128
   71    HB3  LEU  10           HB1      LEU  10   2.595  -6.119   1.134
   72    HG   LEU  10           HG       LEU  10   0.729  -4.442   1.197
   73   HD11  LEU  10          HD11      LEU  10   1.917  -2.558   2.080
   74   HD12  LEU  10          HD12      LEU  10   1.213  -2.140   0.521
   75   HD13  LEU  10          HD13      LEU  10   2.938  -2.470   0.642
   76   HD21  LEU  10          HD21      LEU  10   1.370  -5.549  -0.882
   77   HD22  LEU  10          HD22      LEU  10   2.595  -4.314  -1.175
   78   HD23  LEU  10          HD23      LEU  10   0.885  -3.878  -1.180
   79    H    ARG  11           HN       ARG  11   2.006  -7.442   3.281
   80    HA   ARG  11           HA       ARG  11  -0.752  -7.378   3.359
   81    HB2  ARG  11           HB2      ARG  11   0.527  -9.437   3.212
   82    HB3  ARG  11           HB1      ARG  11   1.157  -9.205   4.834
   83    HG2  ARG  11           HG2      ARG  11  -1.081  -9.528   5.756
   84    HG3  ARG  11           HG1      ARG  11  -1.726  -9.723   4.122
   85    HD2  ARG  11           HD2      ARG  11  -1.359 -11.891   5.197
   86    HD3  ARG  11           HD1      ARG  11  -0.308 -11.695   3.794
   87    HE   ARG  11           HE       ARG  11   0.602 -11.240   6.557
   88   HH11  ARG  11          HH11      ARG  11   1.026 -12.884   3.401
   89   HH12  ARG  11          HH12      ARG  11   2.580 -13.460   3.789
   90   HH21  ARG  11          HH21      ARG  11   2.829 -12.064   7.017
   91   HH22  ARG  11          HH22      ARG  11   3.605 -12.945   5.773
   92    H    ARG  12           HN       ARG  12   1.514  -7.138   6.017
   93    HA   ARG  12           HA       ARG  12  -0.366  -6.872   8.161
   94    HB2  ARG  12           HB2      ARG  12   2.443  -5.792   8.022
   95    HB3  ARG  12           HB1      ARG  12   1.516  -6.210   9.458
   96    HG2  ARG  12           HG2      ARG  12   1.668  -8.518   9.008
   97    HG3  ARG  12           HG1      ARG  12   2.351  -8.224   7.398
   98    HD2  ARG  12           HD2      ARG  12   4.098  -8.865   8.940
   99    HD3  ARG  12           HD1      ARG  12   4.319  -7.183   8.464
  100    HE   ARG  12           HE       ARG  12   3.015  -7.950  10.971
  101   HH11  ARG  12          HH11      ARG  12   5.455  -5.913   9.249
  102   HH12  ARG  12          HH12      ARG  12   6.021  -5.229  10.701
  103   HH21  ARG  12          HH21      ARG  12   3.868  -6.991  12.877
  104   HH22  ARG  12          HH22      ARG  12   5.123  -5.842  12.828
  105    H    ALA  13           HN       ALA  13   1.573  -4.502   6.382
  106    HA   ALA  13           HA       ALA  13   0.657  -2.294   7.842
  107    HB1  ALA  13           HB1      ALA  13   1.842  -2.300   5.079
  108    HB2  ALA  13           HB2      ALA  13   2.763  -2.316   6.586
  109    HB3  ALA  13           HB3      ALA  13   1.748  -0.928   6.185
  110    H    LEU  14           HN       LEU  14  -0.530  -3.732   4.836
  111    HA   LEU  14           HA       LEU  14  -2.275  -1.691   4.096
  112    HB2  LEU  14           HB2      LEU  14  -1.591  -3.664   2.725
  113    HB3  LEU  14           HB1      LEU  14  -2.636  -4.661   3.716
  114    HG   LEU  14           HG       LEU  14  -4.573  -3.365   2.938
  115   HD11  LEU  14          HD11      LEU  14  -2.561  -2.037   1.117
  116   HD12  LEU  14          HD12      LEU  14  -3.415  -1.271   2.447
  117   HD13  LEU  14          HD13      LEU  14  -4.314  -1.846   1.037
  118   HD21  LEU  14          HD21      LEU  14  -4.601  -4.269   0.653
  119   HD22  LEU  14          HD22      LEU  14  -3.958  -5.433   1.816
  120   HD23  LEU  14          HD23      LEU  14  -2.863  -4.558   0.754
  121    H    VAL  15           HN       VAL  15  -2.667  -4.421   6.290
  122    HA   VAL  15           HA       VAL  15  -5.440  -4.206   6.762
  123    HB   VAL  15           HB       VAL  15  -3.297  -5.294   8.622
  124   HG11  VAL  15          HG11      VAL  15  -5.113  -6.626   9.630
  125   HG12  VAL  15          HG12      VAL  15  -6.283  -5.868   8.556
  126   HG13  VAL  15          HG13      VAL  15  -5.464  -4.903   9.782
  127   HG21  VAL  15          HG21      VAL  15  -4.964  -6.672   6.534
  128   HG22  VAL  15          HG22      VAL  15  -3.898  -7.468   7.710
  129   HG23  VAL  15          HG23      VAL  15  -3.223  -6.357   6.515
  130    H    GLU  16           HN       GLU  16  -2.710  -2.543   8.076
  131    HA   GLU  16           HA       GLU  16  -3.848  -1.553  10.443
  132    HB2  GLU  16           HB2      GLU  16  -1.628  -0.369   8.785
  133    HB3  GLU  16           HB1      GLU  16  -2.000   0.028  10.459
  134    HG2  GLU  16           HG2      GLU  16  -1.192  -2.674   9.462
  135    HG3  GLU  16           HG1      GLU  16  -0.090  -1.562  10.232
  136    H    SER  17           HN       SER  17  -4.234  -0.506   7.140
  137    HA   SER  17           HA       SER  17  -5.267   2.074   7.958
  138    HB2  SER  17           HB2      SER  17  -5.038   0.842   5.214
  139    HB3  SER  17           HB1      SER  17  -5.477   2.513   5.575
  140    HG   SER  17           HG       SER  17  -3.481   2.607   6.756
  141    H    ALA  18           HN       ALA  18  -6.503  -0.922   7.974
  142    HA   ALA  18           HA       ALA  18  -9.186  -0.093   7.193
  143    HB1  ALA  18           HB1      ALA  18  -8.059  -2.819   7.864
  144    HB2  ALA  18           HB2      ALA  18  -8.420  -2.212   6.242
  145    HB3  ALA  18           HB3      ALA  18  -9.727  -2.485   7.393
  146    H    GLY  19           HN       GLY  19 -10.445   0.598   8.811
  147    HA2  GLY  19           HA2      GLY  19  -9.441   0.283  11.534
  148    HA3  GLY  19           HA1      GLY  19 -10.661   1.432  10.998
  149    H    GLU  20           HN       GLU  20 -12.676   0.352  10.133
  150    HA   GLU  20           HA       GLU  20 -13.484  -1.589  12.184
  151    HB2  GLU  20           HB2      GLU  20 -15.799  -0.837  11.666
  152    HB3  GLU  20           HB1      GLU  20 -14.768   0.454  12.263
  153    HG2  GLU  20           HG2      GLU  20 -14.496   1.326  10.034
  154    HG3  GLU  20           HG1      GLU  20 -15.411  -0.020   9.357
  155    H    THR  21           HN       THR  21 -12.316  -1.683   9.321
  156    HA   THR  21           HA       THR  21 -14.180  -3.601   8.144
  157    HB   THR  21           HB       THR  21 -11.846  -2.123   6.906
  158    HG1  THR  21           HG1      THR  21 -14.595  -1.442   7.140
  159   HG21  THR  21          HG21      THR  21 -14.250  -3.498   5.651
  160   HG22  THR  21          HG22      THR  21 -12.600  -4.112   5.640
  161   HG23  THR  21          HG23      THR  21 -12.994  -2.628   4.772
  162    H    ASP  22           HN       ASP  22 -13.316  -5.258   9.733
  163    HA   ASP  22           HA       ASP  22 -10.631  -6.141   8.962
  164    HB2  ASP  22           HB2      ASP  22 -10.567  -5.369  11.277
  165    HB3  ASP  22           HB1      ASP  22 -11.925  -6.414  11.686
  166    H    GLY  23           HN       GLY  23 -11.207  -7.491   7.449
  167    HA2  GLY  23           HA2      GLY  23 -11.734 -10.120   8.186
  168    HA3  GLY  23           HA1      GLY  23 -13.251  -9.426   7.604
  169    H    THR  24           HN       THR  24 -10.399  -8.120   6.195
  170    HA   THR  24           HA       THR  24 -11.056  -9.155   3.657
  171    HB   THR  24           HB       THR  24  -8.851  -7.671   3.390
  172    HG1  THR  24           HG1      THR  24  -8.675  -6.188   5.036
  173   HG21  THR  24          HG21      THR  24 -11.604  -6.558   3.974
  174   HG22  THR  24          HG22      THR  24 -11.048  -7.150   2.406
  175   HG23  THR  24          HG23      THR  24 -10.320  -5.706   3.120
  176    H    ASP  25           HN       ASP  25 -10.456 -11.309   3.591
  177    HA   ASP  25           HA       ASP  25  -8.158 -12.358   4.836
  178    HB2  ASP  25           HB2      ASP  25  -8.562 -14.427   3.704
  179    HB3  ASP  25           HB1      ASP  25 -10.142 -13.735   4.025
  180    H    LEU  26           HN       LEU  26  -6.108 -12.447   4.266
  181    HA   LEU  26           HA       LEU  26  -5.369 -11.319   1.640
  182    HB2  LEU  26           HB2      LEU  26  -5.655  -9.673   3.653
  183    HB3  LEU  26           HB1      LEU  26  -4.097 -10.297   4.148
  184    HG   LEU  26           HG       LEU  26  -3.196  -9.557   1.928
  185   HD11  LEU  26          HD11      LEU  26  -5.318  -9.515   0.711
  186   HD12  LEU  26          HD12      LEU  26  -4.524  -7.939   0.662
  187   HD13  LEU  26          HD13      LEU  26  -5.888  -8.202   1.745
  188   HD21  LEU  26          HD21      LEU  26  -4.438  -7.439   3.685
  189   HD22  LEU  26          HD22      LEU  26  -3.119  -7.192   2.543
  190   HD23  LEU  26          HD23      LEU  26  -2.886  -8.232   3.950
  191    H    SER  27           HN       SER  27  -4.991 -13.819   3.696
  192    HA   SER  27           HA       SER  27  -2.122 -14.056   3.670
  193    HB2  SER  27           HB2      SER  27  -4.215 -16.128   4.395
  194    HB3  SER  27           HB1      SER  27  -2.506 -16.149   4.831
  195    HG   SER  27           HG       SER  27  -4.594 -14.594   5.806
  196    H    GLY  28           HN       GLY  28  -0.919 -15.359   2.302
  197    HA2  GLY  28           HA2      GLY  28  -0.651 -16.952   0.623
  198    HA3  GLY  28           HA1      GLY  28  -2.360 -16.792   0.224
  199    H    ASP  29           HN       ASP  29  -2.722 -15.812  -1.600
  200    HA   ASP  29           HA       ASP  29  -0.699 -13.938  -2.627
  201    HB2  ASP  29           HB2      ASP  29  -0.776 -15.898  -4.031
  202    HB3  ASP  29           HB1      ASP  29  -2.532 -15.826  -4.115
  203    H    PHE  30           HN       PHE  30  -1.307 -11.934  -2.706
  204    HA   PHE  30           HA       PHE  30  -4.124 -11.274  -3.250
  205    HB2  PHE  30           HB2      PHE  30  -4.164  -9.657  -1.436
  206    HB3  PHE  30           HB1      PHE  30  -3.784 -11.252  -0.800
  207    HD1  PHE  30           HD2      PHE  30  -1.383 -11.746  -0.139
  208    HD2  PHE  30           HD1      PHE  30  -2.713  -7.830  -1.135
  209    HE1  PHE  30           HE2      PHE  30   0.586 -10.794   0.970
  210    HE2  PHE  30           HE1      PHE  30  -0.745  -6.873  -0.021
  211    HZ   PHE  30           HZ       PHE  30   0.910  -8.358   1.034
  212    H    LEU  31           HN       LEU  31  -1.399 -11.083  -4.681
  213    HA   LEU  31           HA       LEU  31  -0.678  -8.368  -4.492
  214    HB2  LEU  31           HB2      LEU  31   0.198 -10.552  -6.320
  215    HB3  LEU  31           HB1      LEU  31   0.789  -8.916  -6.480
  216    HG   LEU  31           HG       LEU  31   2.438 -10.111  -5.331
  217   HD11  LEU  31          HD11      LEU  31   0.860  -8.540  -3.312
  218   HD12  LEU  31          HD12      LEU  31   2.097  -7.934  -4.419
  219   HD13  LEU  31          HD13      LEU  31   2.540  -9.045  -3.128
  220   HD21  LEU  31          HD21      LEU  31   1.158 -12.081  -4.683
  221   HD22  LEU  31          HD22      LEU  31   0.303 -11.148  -3.454
  222   HD23  LEU  31          HD23      LEU  31   2.036 -11.442  -3.295
  223    H    ASP  32           HN       ASP  32  -2.846 -10.085  -6.563
  224    HA   ASP  32           HA       ASP  32  -3.103  -7.626  -8.158
  225    HB2  ASP  32           HB2      ASP  32  -3.970  -8.888  -9.998
  226    HB3  ASP  32           HB1      ASP  32  -2.545  -9.737  -9.442
  227    H    LEU  33           HN       LEU  33  -4.250  -8.713  -5.541
  228    HA   LEU  33           HA       LEU  33  -7.084  -8.737  -5.956
  229    HB2  LEU  33           HB2      LEU  33  -5.901  -9.952  -4.108
  230    HB3  LEU  33           HB1      LEU  33  -5.456  -8.413  -3.427
  231    HG   LEU  33           HG       LEU  33  -7.807  -7.905  -2.976
  232   HD11  LEU  33          HD11      LEU  33  -8.823  -9.137  -4.817
  233   HD12  LEU  33          HD12      LEU  33  -9.502  -9.653  -3.276
  234   HD13  LEU  33          HD13      LEU  33  -8.309 -10.661  -4.101
  235   HD21  LEU  33          HD21      LEU  33  -6.933 -10.608  -1.969
  236   HD22  LEU  33          HD22      LEU  33  -8.125  -9.549  -1.215
  237   HD23  LEU  33          HD23      LEU  33  -6.437  -9.055  -1.298
  238    H    ARG  34           HN       ARG  34  -8.010  -6.980  -6.546
  239    HA   ARG  34           HA       ARG  34  -6.673  -4.468  -6.587
  240    HB2  ARG  34           HB2      ARG  34  -9.526  -5.092  -7.316
  241    HB3  ARG  34           HB1      ARG  34  -8.618  -3.657  -7.781
  242    HG2  ARG  34           HG2      ARG  34  -7.069  -5.044  -9.068
  243    HG3  ARG  34           HG1      ARG  34  -7.967  -6.494  -8.604
  244    HD2  ARG  34           HD2      ARG  34  -8.624  -5.813 -10.821
  245    HD3  ARG  34           HD1      ARG  34  -9.963  -5.534  -9.705
  246    HE   ARG  34           HE       ARG  34  -8.102  -3.387 -10.337
  247   HH11  ARG  34          HH11      ARG  34 -11.388  -4.683 -10.787
  248   HH12  ARG  34          HH12      ARG  34 -12.074  -3.156 -11.060
  249   HH21  ARG  34          HH21      ARG  34  -9.048  -1.370 -10.592
  250   HH22  ARG  34          HH22      ARG  34 -10.744  -1.184 -10.820
  251    H    PHE  35           HN       PHE  35  -6.958  -2.644  -5.480
  252    HA   PHE  35           HA       PHE  35  -7.808  -2.777  -2.824
  253    HB2  PHE  35           HB2      PHE  35  -7.290  -0.363  -4.540
  254    HB3  PHE  35           HB1      PHE  35  -7.591  -0.270  -2.811
  255    HD1  PHE  35           HD2      PHE  35  -6.004  -1.585  -1.287
  256    HD2  PHE  35           HD1      PHE  35  -5.160  -0.706  -5.360
  257    HE1  PHE  35           HE2      PHE  35  -3.612  -1.974  -0.876
  258    HE2  PHE  35           HE1      PHE  35  -2.762  -1.101  -4.944
  259    HZ   PHE  35           HZ       PHE  35  -1.983  -1.646  -2.684
  260    H    GLU  36           HN       GLU  36  -9.519  -1.430  -5.623
  261    HA   GLU  36           HA       GLU  36 -11.676  -0.381  -4.130
  262    HB2  GLU  36           HB2      GLU  36 -12.917  -0.292  -6.237
  263    HB3  GLU  36           HB1      GLU  36 -11.289   0.349  -6.419
  264    HG2  GLU  36           HG2      GLU  36 -10.603  -1.449  -7.717
  265    HG3  GLU  36           HG1      GLU  36 -11.882  -2.497  -7.107
  266    H    ASP  37           HN       ASP  37 -10.909  -3.592  -5.012
  267    HA   ASP  37           HA       ASP  37 -13.641  -4.527  -4.867
  268    HB2  ASP  37           HB2      ASP  37 -12.072  -5.596  -6.437
  269    HB3  ASP  37           HB1      ASP  37 -11.047  -6.081  -5.087
  270    H    ILE  38           HN       ILE  38 -10.762  -4.429  -2.920
  271    HA   ILE  38           HA       ILE  38 -12.012  -5.998  -0.842
  272    HB   ILE  38           HB       ILE  38  -9.836  -5.821   0.369
  273   HG12  ILE  38          HG12      ILE  38  -8.924  -4.448  -2.182
  274   HG13  ILE  38          HG11      ILE  38  -9.050  -3.688  -0.603
  275   HG21  ILE  38          HG21      ILE  38  -8.667  -7.340  -1.135
  276   HG22  ILE  38          HG22      ILE  38  -9.695  -6.836  -2.469
  277   HG23  ILE  38          HG23      ILE  38 -10.395  -7.695  -1.092
  278   HD11  ILE  38          HD11      ILE  38  -7.159  -5.911  -1.353
  279   HD12  ILE  38          HD12      ILE  38  -7.294  -5.177   0.244
  280   HD13  ILE  38          HD13      ILE  38  -6.748  -4.211  -1.122
  281    H    GLY  39           HN       GLY  39 -12.812  -3.191  -1.531
  282    HA2  GLY  39           HA2      GLY  39 -13.962  -1.622  -0.283
  283    HA3  GLY  39           HA1      GLY  39 -13.517  -2.521   1.157
  284    H    TYR  40           HN       TYR  40 -10.988  -1.413  -0.938
  285    HA   TYR  40           HA       TYR  40 -10.280   0.513   1.135
  286    HB2  TYR  40           HB2      TYR  40  -8.628  -0.930  -0.908
  287    HB3  TYR  40           HB1      TYR  40  -8.050   0.557  -0.174
  288    HD1  TYR  40           HD2      TYR  40  -9.489  -2.744   0.905
  289    HD2  TYR  40           HD1      TYR  40  -6.719   0.393   1.657
  290    HE1  TYR  40           HE2      TYR  40  -8.617  -3.985   2.825
  291    HE2  TYR  40           HE1      TYR  40  -5.839  -0.812   3.572
  292    HH   TYR  40           HH       TYR  40  -6.354  -2.575   5.057
  293    H    ASP  41           HN       ASP  41 -10.946   2.408   0.805
  294    HA   ASP  41           HA       ASP  41 -11.371   3.588  -1.770
  295    HB2  ASP  41           HB2      ASP  41 -11.316   4.765   1.021
  296    HB3  ASP  41           HB1      ASP  41 -11.703   5.691  -0.429
  297    H    SER  42           HN       SER  42 -10.345   5.861  -2.063
  298    HA   SER  42           HA       SER  42  -7.606   5.682  -2.498
  299    HB2  SER  42           HB2      SER  42  -7.846   8.207  -2.681
  300    HB3  SER  42           HB1      SER  42  -8.973   7.269  -3.678
  301    H    LEU  43           HN       LEU  43  -9.298   7.625  -0.172
  302    HA   LEU  43           HA       LEU  43  -7.521   8.371   1.677
  303    HB2  LEU  43           HB2      LEU  43 -10.331   7.437   2.094
  304    HB3  LEU  43           HB1      LEU  43  -9.359   8.087   3.404
  305    HG   LEU  43           HG       LEU  43 -10.033   9.569   0.861
  306   HD11  LEU  43          HD11      LEU  43 -11.135   9.836   3.657
  307   HD12  LEU  43          HD12      LEU  43 -12.021   9.257   2.244
  308   HD13  LEU  43          HD13      LEU  43 -11.466  10.929   2.317
  309   HD21  LEU  43          HD21      LEU  43  -9.078  11.496   2.066
  310   HD22  LEU  43          HD22      LEU  43  -7.888  10.201   1.843
  311   HD23  LEU  43          HD23      LEU  43  -8.659  10.419   3.403
  312    H    ALA  44           HN       ALA  44  -8.643   5.057   1.349
  313    HA   ALA  44           HA       ALA  44  -7.507   4.274   3.858
  314    HB1  ALA  44           HB1      ALA  44  -8.028   1.981   3.172
  315    HB2  ALA  44           HB2      ALA  44  -8.420   2.546   1.549
  316    HB3  ALA  44           HB3      ALA  44  -9.418   3.036   2.919
  317    H    LEU  45           HN       LEU  45  -6.680   3.804   0.457
  318    HA   LEU  45           HA       LEU  45  -4.216   2.502   0.864
  319    HB2  LEU  45           HB2      LEU  45  -5.416   2.377  -1.174
  320    HB3  LEU  45           HB1      LEU  45  -5.268   4.095  -1.428
  321    HG   LEU  45           HG       LEU  45  -3.085   3.917  -2.247
  322   HD11  LEU  45          HD11      LEU  45  -2.209   2.695  -0.197
  323   HD12  LEU  45          HD12      LEU  45  -1.551   2.168  -1.735
  324   HD13  LEU  45          HD13      LEU  45  -2.796   1.185  -0.928
  325   HD21  LEU  45          HD21      LEU  45  -3.051   1.972  -3.626
  326   HD22  LEU  45          HD22      LEU  45  -4.722   2.657  -3.518
  327   HD23  LEU  45          HD23      LEU  45  -4.211   1.291  -2.483
  328    H    MET  46           HN       MET  46  -5.056   5.913   0.475
  329    HA   MET  46           HA       MET  46  -2.370   6.803   0.331
  330    HB2  MET  46           HB2      MET  46  -3.314   9.120   0.456
  331    HB3  MET  46           HB1      MET  46  -4.312   8.101  -0.533
  332    HG2  MET  46           HG2      MET  46  -5.696   9.436   0.658
  333    HG3  MET  46           HG1      MET  46  -5.777   7.836   1.392
  334    HE1  MET  46           HE1      MET  46  -2.860  10.414   1.919
  335    HE2  MET  46           HE2      MET  46  -3.416  11.316   3.330
  336    HE3  MET  46           HE3      MET  46  -4.260  11.479   1.793
  337    H    GLU  47           HN       GLU  47  -4.399   5.920   2.950
  338    HA   GLU  47           HA       GLU  47  -2.837   7.160   5.017
  339    HB2  GLU  47           HB2      GLU  47  -5.307   6.370   5.098
  340    HB3  GLU  47           HB1      GLU  47  -4.661   4.758   5.290
  341    HG2  GLU  47           HG2      GLU  47  -4.093   7.027   7.162
  342    HG3  GLU  47           HG1      GLU  47  -5.430   5.911   7.359
  343    H    THR  48           HN       THR  48  -3.188   3.914   3.621
  344    HA   THR  48           HA       THR  48  -1.269   2.389   4.842
  345    HB   THR  48           HB       THR  48  -2.041   2.578   1.920
  346    HG1  THR  48           HG1      THR  48  -3.270   1.628   4.174
  347   HG21  THR  48          HG21      THR  48  -0.019   1.185   2.239
  348   HG22  THR  48          HG22      THR  48  -1.424   0.285   1.686
  349   HG23  THR  48          HG23      THR  48  -0.919   0.162   3.382
  350    H    ALA  49           HN       ALA  49  -0.907   4.397   1.997
  351    HA   ALA  49           HA       ALA  49   1.849   4.085   1.576
  352    HB1  ALA  49           HB1      ALA  49   0.142   6.447   0.782
  353    HB2  ALA  49           HB2      ALA  49   0.337   4.956  -0.146
  354    HB3  ALA  49           HB3      ALA  49   1.718   6.027   0.116
  355    H    ALA  50           HN       ALA  50   0.127   6.854   3.112
  356    HA   ALA  50           HA       ALA  50   2.395   8.286   3.876
  357    HB1  ALA  50           HB1      ALA  50  -0.281   8.238   5.267
  358    HB2  ALA  50           HB2      ALA  50   0.112   9.208   3.855
  359    HB3  ALA  50           HB3      ALA  50   0.939   9.505   5.390
  360    H    ARG  51           HN       ARG  51   0.803   5.634   5.423
  361    HA   ARG  51           HA       ARG  51   2.018   5.762   7.929
  362    HB2  ARG  51           HB2      ARG  51   0.083   4.306   7.476
  363    HB3  ARG  51           HB1      ARG  51   1.023   3.371   6.338
  364    HG2  ARG  51           HG2      ARG  51   1.045   1.965   8.116
  365    HG3  ARG  51           HG1      ARG  51   2.495   2.899   8.475
  366    HD2  ARG  51           HD2      ARG  51   1.011   2.466  10.364
  367    HD3  ARG  51           HD1      ARG  51   1.263   4.183  10.206
  368    HE   ARG  51           HE       ARG  51  -0.994   3.878   8.832
  369   HH11  ARG  51          HH11      ARG  51  -0.074   2.503  11.974
  370   HH12  ARG  51          HH12      ARG  51  -1.709   2.269  12.453
  371   HH21  ARG  51          HH21      ARG  51  -3.158   3.506   9.515
  372   HH22  ARG  51          HH22      ARG  51  -3.463   2.844  11.066
  373    H    LEU  52           HN       LEU  52   2.813   3.984   4.997
  374    HA   LEU  52           HA       LEU  52   5.227   2.842   5.923
  375    HB2  LEU  52           HB2      LEU  52   4.268   3.376   3.116
  376    HB3  LEU  52           HB1      LEU  52   5.665   2.389   3.513
  377    HG   LEU  52           HG       LEU  52   2.827   1.777   4.344
  378   HD11  LEU  52          HD11      LEU  52   3.125   1.529   1.951
  379   HD12  LEU  52          HD12      LEU  52   2.954  -0.043   2.734
  380   HD13  LEU  52          HD13      LEU  52   4.546   0.520   2.219
  381   HD21  LEU  52          HD21      LEU  52   4.490   0.952   5.927
  382   HD22  LEU  52          HD22      LEU  52   5.367   0.172   4.611
  383   HD23  LEU  52          HD23      LEU  52   3.746  -0.379   5.037
  384    H    GLU  53           HN       GLU  53   4.488   5.856   4.290
  385    HA   GLU  53           HA       GLU  53   7.055   6.752   3.675
  386    HB2  GLU  53           HB2      GLU  53   4.700   8.353   4.645
  387    HB3  GLU  53           HB1      GLU  53   6.157   9.048   3.954
  388    HG2  GLU  53           HG2      GLU  53   5.646   7.814   1.861
  389    HG3  GLU  53           HG1      GLU  53   4.113   7.320   2.596
  390    H    SER  54           HN       SER  54   5.198   7.142   6.648
  391    HA   SER  54           HA       SER  54   7.290   8.606   7.926
  392    HB2  SER  54           HB2      SER  54   4.793   7.400   9.114
  393    HB3  SER  54           HB1      SER  54   5.753   8.743   9.761
  394    HG   SER  54           HG       SER  54   3.870   8.708   7.766
  395    H    ARG  55           HN       ARG  55   6.262   5.280   7.845
  396    HA   ARG  55           HA       ARG  55   7.702   4.432  10.155
  397    HB2  ARG  55           HB2      ARG  55   5.730   3.253   9.391
  398    HB3  ARG  55           HB1      ARG  55   6.491   2.889   7.856
  399    HG2  ARG  55           HG2      ARG  55   8.073   1.422   8.984
  400    HG3  ARG  55           HG1      ARG  55   7.330   1.810  10.546
  401    HD2  ARG  55           HD2      ARG  55   5.243   0.852   9.849
  402    HD3  ARG  55           HD1      ARG  55   5.833   0.637   8.208
  403    HE   ARG  55           HE       ARG  55   7.070  -0.797  10.460
  404   HH11  ARG  55          HH11      ARG  55   5.264  -0.879   7.416
  405   HH12  ARG  55          HH12      ARG  55   5.645  -2.523   7.100
  406   HH21  ARG  55          HH21      ARG  55   7.433  -3.070  10.055
  407   HH22  ARG  55          HH22      ARG  55   6.797  -3.784   8.619
  408    H    TYR  56           HN       TYR  56   8.408   4.379   6.670
  409    HA   TYR  56           HA       TYR  56  11.021   3.222   7.299
  410    HB2  TYR  56           HB2      TYR  56   9.500   3.358   4.708
  411    HB3  TYR  56           HB1      TYR  56  11.203   2.891   4.784
  412    HD1  TYR  56           HD2      TYR  56   7.776   1.969   5.688
  413    HD2  TYR  56           HD1      TYR  56  11.849   0.740   5.691
  414    HE1  TYR  56           HE2      TYR  56   7.075  -0.329   6.172
  415    HE2  TYR  56           HE1      TYR  56  11.160  -1.560   6.168
  416    HH   TYR  56           HH       TYR  56   9.277  -2.821   7.074
  417    H    GLY  57           HN       GLY  57   9.641   6.126   5.932
  418    HA2  GLY  57           HA2      GLY  57  10.866   8.170   6.052
  419    HA3  GLY  57           HA1      GLY  57  12.354   7.244   5.877
  420    H    VAL  58           HN       VAL  58   9.332   7.242   4.037
  421    HA   VAL  58           HA       VAL  58  10.888   7.898   1.645
  422    HB   VAL  58           HB       VAL  58   9.430   6.423   0.284
  423   HG11  VAL  58          HG11      VAL  58  10.705   5.013   2.603
  424   HG12  VAL  58          HG12      VAL  58  11.526   5.521   1.120
  425   HG13  VAL  58          HG13      VAL  58  10.282   4.262   1.066
  426   HG21  VAL  58          HG21      VAL  58   7.433   6.436   1.668
  427   HG22  VAL  58          HG22      VAL  58   8.281   5.533   2.929
  428   HG23  VAL  58          HG23      VAL  58   7.970   4.787   1.357
  429    H    SER  59           HN       SER  59   9.065   8.403  -0.239
  430    HA   SER  59           HA       SER  59   6.944  10.032   0.895
  431    HB2  SER  59           HB2      SER  59   9.056  11.189  -0.956
  432    HB3  SER  59           HB1      SER  59   7.628  12.034  -0.367
  433    HG   SER  59           HG       SER  59   9.880  11.132   1.122
  434    H    ILE  60           HN       ILE  60   5.216   9.338  -0.144
  435    HA   ILE  60           HA       ILE  60   5.274   8.999  -3.063
  436    HB   ILE  60           HB       ILE  60   3.774   7.238  -1.069
  437   HG12  ILE  60          HG12      ILE  60   4.860   5.350  -2.318
  438   HG13  ILE  60          HG11      ILE  60   5.902   6.517  -3.120
  439   HG21  ILE  60          HG21      ILE  60   2.800   6.056  -2.994
  440   HG22  ILE  60          HG22      ILE  60   3.479   7.286  -4.057
  441   HG23  ILE  60          HG23      ILE  60   2.270   7.733  -2.847
  442   HD11  ILE  60          HD11      ILE  60   7.032   5.408  -1.303
  443   HD12  ILE  60          HD12      ILE  60   5.767   5.889  -0.181
  444   HD13  ILE  60          HD13      ILE  60   6.809   7.111  -0.907
  445    HA   PRO  61           HA       PRO  61   2.199  12.253  -2.425
  446    HB2  PRO  61           HB2      PRO  61   1.935  11.941  -5.368
  447    HB3  PRO  61           HB1      PRO  61   2.259  13.396  -4.418
  448    HG2  PRO  61           HG2      PRO  61   4.191  12.252  -5.837
  449    HG3  PRO  61           HG1      PRO  61   4.530  12.918  -4.225
  450    HD2  PRO  61           HD2      PRO  61   4.116  10.064  -5.042
  451    HD3  PRO  61           HD1      PRO  61   5.322  10.752  -3.939
  452    H    ASP  62           HN       ASP  62  -0.062  12.477  -2.665
  453    HA   ASP  62           HA       ASP  62  -1.540  10.147  -2.267
  454    HB2  ASP  62           HB2      ASP  62  -3.526  11.612  -2.264
  455    HB3  ASP  62           HB1      ASP  62  -2.215  12.286  -1.297
  456    H    ASP  63           HN       ASP  63  -1.135  12.079  -5.183
  457    HA   ASP  63           HA       ASP  63  -3.214  10.730  -6.592
  458    HB2  ASP  63           HB2      ASP  63  -2.591  11.965  -8.521
  459    HB3  ASP  63           HB1      ASP  63  -2.353  13.044  -7.156
  460    H    VAL  64           HN       VAL  64   0.031  10.051  -5.928
  461    HA   VAL  64           HA       VAL  64   0.339   8.124  -8.060
  462    HB   VAL  64           HB       VAL  64   2.103   8.654  -5.639
  463   HG11  VAL  64          HG11      VAL  64   2.729   7.146  -8.178
  464   HG12  VAL  64          HG12      VAL  64   2.469   6.430  -6.592
  465   HG13  VAL  64          HG13      VAL  64   3.858   7.479  -6.862
  466   HG21  VAL  64          HG21      VAL  64   3.537   9.883  -7.203
  467   HG22  VAL  64          HG22      VAL  64   1.939  10.611  -7.034
  468   HG23  VAL  64          HG23      VAL  64   2.326   9.659  -8.469
  469    H    ALA  65           HN       ALA  65  -0.570   8.236  -4.708
  470    HA   ALA  65           HA       ALA  65  -0.443   5.514  -4.085
  471    HB1  ALA  65           HB1      ALA  65  -0.584   7.245  -2.395
  472    HB2  ALA  65           HB2      ALA  65  -1.944   6.113  -2.239
  473    HB3  ALA  65           HB3      ALA  65  -2.197   7.692  -2.956
  474    H    GLY  66           HN       GLY  66  -3.142   7.588  -5.186
  475    HA2  GLY  66           HA2      GLY  66  -4.943   5.339  -5.347
  476    HA3  GLY  66           HA1      GLY  66  -5.287   6.989  -5.845
  477    H    ARG  67           HN       ARG  67  -2.460   6.276  -7.234
  478    HA   ARG  67           HA       ARG  67  -3.595   5.953  -9.847
  479    HB2  ARG  67           HB2      ARG  67  -1.692   7.430  -9.386
  480    HB3  ARG  67           HB1      ARG  67  -0.741   6.042  -8.887
  481    HG2  ARG  67           HG2      ARG  67  -0.089   6.680 -11.068
  482    HG3  ARG  67           HG1      ARG  67  -0.954   5.142 -11.148
  483    HD2  ARG  67           HD2      ARG  67  -2.986   6.354 -11.848
  484    HD3  ARG  67           HD1      ARG  67  -2.070   7.865 -11.805
  485    HE   ARG  67           HE       ARG  67  -0.822   5.877 -13.395
  486   HH11  ARG  67          HH11      ARG  67  -3.263   8.470 -13.511
  487   HH12  ARG  67          HH12      ARG  67  -3.152   8.676 -15.194
  488   HH21  ARG  67          HH21      ARG  67  -0.731   6.105 -15.706
  489   HH22  ARG  67          HH22      ARG  67  -1.703   7.256 -16.506
  490    H    VAL  68           HN       VAL  68  -2.313   3.892  -7.395
  491    HA   VAL  68           HA       VAL  68  -1.762   1.811  -9.317
  492    HB   VAL  68           HB       VAL  68  -0.982   0.405  -7.459
  493   HG11  VAL  68          HG11      VAL  68   0.890   1.761  -6.701
  494   HG12  VAL  68          HG12      VAL  68   0.081   3.200  -7.325
  495   HG13  VAL  68          HG13      VAL  68   0.587   1.925  -8.429
  496   HG21  VAL  68          HG21      VAL  68  -1.805   2.682  -5.652
  497   HG22  VAL  68          HG22      VAL  68  -0.928   1.230  -5.168
  498   HG23  VAL  68          HG23      VAL  68  -2.588   1.102  -5.758
  499    H    ASP  69           HN       ASP  69  -2.736  -0.371  -8.939
  500    HA   ASP  69           HA       ASP  69  -5.594  -0.014  -8.221
  501    HB2  ASP  69           HB2      ASP  69  -5.062  -0.186 -10.692
  502    HB3  ASP  69           HB1      ASP  69  -4.417  -1.768 -10.359
  503    H    THR  70           HN       THR  70  -2.771  -2.022  -8.306
  504    HA   THR  70           HA       THR  70  -4.066  -3.924  -6.514
  505    HB   THR  70           HB       THR  70  -2.721  -5.706  -7.638
  506    HG1  THR  70           HG1      THR  70  -1.904  -3.467  -9.221
  507   HG21  THR  70          HG21      THR  70  -4.428  -4.035  -9.490
  508   HG22  THR  70          HG22      THR  70  -5.017  -5.286  -8.393
  509   HG23  THR  70          HG23      THR  70  -3.995  -5.723  -9.767
  510    HA   PRO  71           HA       PRO  71  -1.082  -3.133  -3.376
  511    HB2  PRO  71           HB2      PRO  71  -0.640  -6.088  -3.387
  512    HB3  PRO  71           HB1      PRO  71  -0.938  -4.996  -2.025
  513    HG2  PRO  71           HG2      PRO  71  -2.908  -6.481  -2.928
  514    HG3  PRO  71           HG1      PRO  71  -3.211  -4.772  -2.539
  515    HD2  PRO  71           HD2      PRO  71  -2.875  -6.081  -5.211
  516    HD3  PRO  71           HD1      PRO  71  -3.981  -4.782  -4.726
  517    H    ARG  72           HN       ARG  72   0.017  -5.445  -5.781
  518    HA   ARG  72           HA       ARG  72   2.736  -5.365  -5.132
  519    HB2  ARG  72           HB2      ARG  72   3.103  -6.256  -7.464
  520    HB3  ARG  72           HB1      ARG  72   2.012  -7.186  -6.447
  521    HG2  ARG  72           HG2      ARG  72   0.101  -6.142  -7.583
  522    HG3  ARG  72           HG1      ARG  72   1.223  -5.260  -8.623
  523    HD2  ARG  72           HD2      ARG  72   1.082  -8.264  -8.390
  524    HD3  ARG  72           HD1      ARG  72   0.289  -7.325  -9.650
  525    HE   ARG  72           HE       ARG  72   2.663  -6.476 -10.034
  526   HH11  ARG  72          HH11      ARG  72   1.956  -9.858  -9.019
  527   HH12  ARG  72          HH12      ARG  72   3.136 -10.512 -10.002
  528   HH21  ARG  72          HH21      ARG  72   4.363  -7.479 -11.347
  529   HH22  ARG  72          HH22      ARG  72   4.581  -9.165 -11.315
  530    H    GLU  73           HN       GLU  73   0.878  -3.170  -7.111
  531    HA   GLU  73           HA       GLU  73   3.104  -1.888  -8.366
  532    HB2  GLU  73           HB2      GLU  73   0.338  -0.866  -7.792
  533    HB3  GLU  73           HB1      GLU  73   1.488  -0.149  -8.911
  534    HG2  GLU  73           HG2      GLU  73   1.320  -2.009 -10.371
  535    HG3  GLU  73           HG1      GLU  73   0.370  -2.917  -9.191
  536    H    LEU  74           HN       LEU  74   1.099  -1.261  -5.564
  537    HA   LEU  74           HA       LEU  74   2.104   1.235  -4.732
  538    HB2  LEU  74           HB2      LEU  74   0.026  -0.142  -3.950
  539    HB3  LEU  74           HB1      LEU  74   1.233  -0.951  -2.946
  540    HG   LEU  74           HG       LEU  74  -0.219   0.896  -1.836
  541   HD11  LEU  74          HD11      LEU  74   1.595   1.649  -0.423
  542   HD12  LEU  74          HD12      LEU  74   2.762   1.043  -1.604
  543   HD13  LEU  74          HD13      LEU  74   1.709  -0.087  -0.753
  544   HD21  LEU  74          HD21      LEU  74   0.657   3.169  -2.074
  545   HD22  LEU  74          HD22      LEU  74  -0.005   2.553  -3.590
  546   HD23  LEU  74          HD23      LEU  74   1.739   2.607  -3.351
  547    H    LEU  75           HN       LEU  75   2.923  -2.076  -3.878
  548    HA   LEU  75           HA       LEU  75   4.825  -1.614  -1.930
  549    HB2  LEU  75           HB2      LEU  75   3.692  -3.691  -2.331
  550    HB3  LEU  75           HB1      LEU  75   4.465  -3.840  -3.899
  551    HG   LEU  75           HG       LEU  75   6.605  -3.872  -2.727
  552   HD11  LEU  75          HD11      LEU  75   6.600  -4.573  -0.337
  553   HD12  LEU  75          HD12      LEU  75   4.857  -4.305  -0.301
  554   HD13  LEU  75          HD13      LEU  75   5.943  -2.951  -0.581
  555   HD21  LEU  75          HD21      LEU  75   6.392  -6.267  -2.140
  556   HD22  LEU  75          HD22      LEU  75   5.636  -5.792  -3.671
  557   HD23  LEU  75          HD23      LEU  75   4.629  -6.065  -2.247
  558    H    ASP  76           HN       ASP  76   5.109  -1.882  -5.440
  559    HA   ASP  76           HA       ASP  76   7.940  -1.901  -5.562
  560    HB2  ASP  76           HB2      ASP  76   6.570  -2.691  -7.449
  561    HB3  ASP  76           HB1      ASP  76   5.927  -1.069  -7.672
  562    H    LEU  77           HN       LEU  77   5.522   0.613  -5.701
  563    HA   LEU  77           HA       LEU  77   7.156   2.832  -6.237
  564    HB2  LEU  77           HB2      LEU  77   4.685   2.700  -4.524
  565    HB3  LEU  77           HB1      LEU  77   5.420   4.166  -5.125
  566    HG   LEU  77           HG       LEU  77   4.159   2.005  -6.780
  567   HD11  LEU  77          HD11      LEU  77   2.535   3.285  -5.490
  568   HD12  LEU  77          HD12      LEU  77   2.415   3.676  -7.200
  569   HD13  LEU  77          HD13      LEU  77   3.221   4.793  -6.096
  570   HD21  LEU  77          HD21      LEU  77   4.410   3.565  -8.648
  571   HD22  LEU  77          HD22      LEU  77   5.978   3.112  -7.978
  572   HD23  LEU  77          HD23      LEU  77   5.277   4.685  -7.595
  573    H    ILE  78           HN       ILE  78   6.204   1.336  -3.214
  574    HA   ILE  78           HA       ILE  78   7.404   3.112  -1.416
  575    HB   ILE  78           HB       ILE  78   6.991   0.119  -1.100
  576   HG12  ILE  78          HG12      ILE  78   4.907   1.277  -1.565
  577   HG13  ILE  78          HG11      ILE  78   4.927   0.750   0.113
  578   HG21  ILE  78          HG21      ILE  78   7.071   0.529   1.331
  579   HG22  ILE  78          HG22      ILE  78   7.503   2.214   1.021
  580   HG23  ILE  78          HG23      ILE  78   8.593   0.922   0.535
  581   HD11  ILE  78          HD11      ILE  78   5.478   3.041   0.808
  582   HD12  ILE  78          HD12      ILE  78   3.967   2.968  -0.103
  583   HD13  ILE  78          HD13      ILE  78   5.439   3.548  -0.882
  584    H    ASN  79           HN       ASN  79   8.614  -0.040  -2.518
  585    HA   ASN  79           HA       ASN  79  11.184   0.191  -1.452
  586    HB2  ASN  79           HB2      ASN  79  10.223  -1.415  -3.818
  587    HB3  ASN  79           HB1      ASN  79  11.861  -1.523  -3.192
  588   HD21  ASN  79          HD21      ASN  79   9.916  -3.651  -3.312
  589   HD22  ASN  79          HD22      ASN  79   9.618  -4.124  -1.683
  590    H    GLY  80           HN       GLY  80   9.945   1.296  -4.546
  591    HA2  GLY  80           HA2      GLY  80  12.353   2.032  -5.732
  592    HA3  GLY  80           HA1      GLY  80  10.784   2.731  -6.074
  593    H    ALA  81           HN       ALA  81  10.061   3.937  -3.806
  594    HA   ALA  81           HA       ALA  81  11.632   6.306  -3.794
  595    HB1  ALA  81           HB1      ALA  81  10.032   7.150  -2.161
  596    HB2  ALA  81           HB2      ALA  81   9.390   5.522  -1.930
  597    HB3  ALA  81           HB3      ALA  81   9.198   6.338  -3.488
  598    H    LEU  82           HN       LEU  82  11.708   3.440  -1.924
  599    HA   LEU  82           HA       LEU  82  13.108   4.520   0.329
  600    HB2  LEU  82           HB2      LEU  82  11.644   2.607   0.538
  601    HB3  LEU  82           HB1      LEU  82  12.576   1.722  -0.657
  602    HG   LEU  82           HG       LEU  82  14.469   1.745   0.863
  603   HD11  LEU  82          HD11      LEU  82  13.926   3.711   2.200
  604   HD12  LEU  82          HD12      LEU  82  14.104   2.310   3.258
  605   HD13  LEU  82          HD13      LEU  82  12.496   2.903   2.846
  606   HD21  LEU  82          HD21      LEU  82  13.585   0.042   2.395
  607   HD22  LEU  82          HD22      LEU  82  12.999  -0.172   0.748
  608   HD23  LEU  82          HD23      LEU  82  11.947   0.540   1.978
  609    H    ALA  83           HN       ALA  83  13.918   3.018  -2.741
  610    HA   ALA  83           HA       ALA  83  16.626   2.554  -2.174
  611    HB1  ALA  83           HB1      ALA  83  16.908   2.376  -4.599
  612    HB2  ALA  83           HB2      ALA  83  15.317   3.095  -4.841
  613    HB3  ALA  83           HB3      ALA  83  15.462   1.516  -4.071
  614    H    GLU  84           HN       GLU  84  14.873   5.328  -3.520
  615    HA   GLU  84           HA       GLU  84  17.171   6.970  -3.859
  616    HB2  GLU  84           HB2      GLU  84  14.208   7.518  -3.819
  617    HB3  GLU  84           HB1      GLU  84  15.435   8.710  -4.205
  618    HG2  GLU  84           HG2      GLU  84  14.852   6.189  -5.741
  619    HG3  GLU  84           HG1      GLU  84  14.383   7.825  -6.206
  620    H    ALA  85           HN       ALA  85  14.852   6.248  -1.412
  621    HA   ALA  85           HA       ALA  85  14.369   6.904   0.639
  622    HB1  ALA  85           HB1      ALA  85  16.188   7.606   2.141
  623    HB2  ALA  85           HB2      ALA  85  17.256   7.831   0.746
  624    HB3  ALA  85           HB3      ALA  85  16.648   6.223   1.153
  625    H    ALA  86           HN       ALA  86  13.006   8.306  -0.506
  626    HA   ALA  86           HA       ALA  86  13.679  11.065  -0.821
  627    HB1  ALA  86           HB1      ALA  86  12.095   9.961  -2.318
  628    HB2  ALA  86           HB2      ALA  86  11.368  11.356  -1.516
  629    HB3  ALA  86           HB3      ALA  86  10.979   9.724  -0.966
  630   H28A  SDO 101          H28A      SDO  42  -9.710  11.741  -4.150
  631   H28B  SDO 101          H28B      SDO  42 -10.221  12.211  -2.530
  632   H30A  SDO 101          H30A      SDO  42  -6.842  12.970  -1.245
  633   H30B  SDO 101          H30B      SDO  42  -7.722  11.447  -1.160
  634   H30C  SDO 101          H30C      SDO  42  -8.571  12.948  -0.841
  635   H31A  SDO 101          H31A      SDO  42  -6.155  12.570  -3.572
  636   H31B  SDO 101          H31B      SDO  42  -7.364  12.141  -4.776
  637   H31C  SDO 101          H31C      SDO  42  -6.899  10.945  -3.534
  638   H32A  SDO 101          H32A      SDO  42  -9.301  14.443  -2.998
  639   H33A  SDO 101          H33A      SDO  42  -7.819  14.625  -5.119
  640   H36A  SDO 101          H36A      SDO  42  -7.563  14.933  -1.264
  641   H37A  SDO 101          H37A      SDO  42  -5.144  16.331  -2.188
  642   H37B  SDO 101          H37B      SDO  42  -6.368  17.185  -1.265
  643   H38A  SDO 101          H38A      SDO  42  -4.764  14.841  -0.305
  644   H38B  SDO 101          H38B      SDO  42  -4.706  16.508   0.308
  645   H41A  SDO 101          H41A      SDO  42  -7.734  16.537   0.062
  646   H42A  SDO 101          H42A      SDO  42  -9.112  14.642   1.387
  647   H42B  SDO 101          H42B      SDO  42  -8.482  15.692   2.676
  648   H43A  SDO 101          H43A      SDO  42 -10.047  16.524   0.249
  649   H43B  SDO 101          H43B      SDO  42  -9.475  17.606   1.491
  650    H1A  SDO 101           H1A      SDO  42 -11.867  15.694   4.358
  651    H1B  SDO 101           H1B      SDO  42 -12.451  14.629   3.105
  652    H2A  SDO 101           H2A      SDO  42  -9.604  14.876   3.984
  653    H2B  SDO 101           H2B      SDO  42 -10.209  13.774   2.770
  654    H4A  SDO 101           H4A      SDO  42 -11.620  12.916   6.724
  655    H4B  SDO 101           H4B      SDO  42 -12.257  11.847   5.502
  656    H5A  SDO 101           H5A      SDO  42 -13.506  13.682   4.484
  657    H5B  SDO 101           H5B      SDO  42 -12.908  14.768   5.735
  658    H6A  SDO 101           H6A      SDO  42 -13.997  13.433   7.456
  659    H6B  SDO 101           H6B      SDO  42 -14.555  12.293   6.235
  660    H8A  SDO 101           H8A      SDO  42 -14.751  15.892   5.352
  661    H8B  SDO 101           H8B      SDO  42 -16.517  15.864   5.337
  662    H8C  SDO 101           H8C      SDO  42 -15.603  14.832   4.224
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  22.131  -5.929   5.101
    2    H2   MET   1           HT2      MET   1  22.374  -5.567   6.732
    3    H3   MET   1           HT3      MET   1  21.963  -4.346   5.625
    4    HA   MET   1           HA       MET   1  20.252  -6.677   6.170
    5    HB2  MET   1           HB2      MET   1  20.426  -5.395   8.237
    6    HB3  MET   1           HB1      MET   1  20.079  -3.899   7.377
    7    HG2  MET   1           HG2      MET   1  17.827  -4.748   6.860
    8    HG3  MET   1           HG1      MET   1  18.196  -6.223   7.746
    9    HE1  MET   1           HE1      MET   1  18.579  -4.915  11.417
   10    HE2  MET   1           HE2      MET   1  19.863  -5.146  10.222
   11    HE3  MET   1           HE3      MET   1  18.565  -6.334  10.369
   12    H    ALA   2           HN       ALA   2  19.016  -6.961   4.466
   13    HA   ALA   2           HA       ALA   2  18.549  -4.759   2.656
   14    HB1  ALA   2           HB1      ALA   2  17.397  -6.390   1.249
   15    HB2  ALA   2           HB2      ALA   2  17.543  -7.604   2.516
   16    HB3  ALA   2           HB3      ALA   2  18.988  -6.992   1.716
   17    H    THR   3           HN       THR   3  17.338  -3.387   3.718
   18    HA   THR   3           HA       THR   3  14.889  -4.251   4.988
   19    HB   THR   3           HB       THR   3  16.184  -2.643   6.250
   20    HG1  THR   3           HG1      THR   3  13.876  -1.501   5.113
   21   HG21  THR   3          HG21      THR   3  15.936  -0.781   3.870
   22   HG22  THR   3          HG22      THR   3  17.422  -1.550   4.438
   23   HG23  THR   3          HG23      THR   3  16.616  -0.345   5.437
   24    H    LEU   4           HN       LEU   4  14.566  -4.877   2.554
   25    HA   LEU   4           HA       LEU   4  13.251  -2.741   1.064
   26    HB2  LEU   4           HB2      LEU   4  14.764  -4.533   0.007
   27    HB3  LEU   4           HB1      LEU   4  13.462  -5.670   0.318
   28    HG   LEU   4           HG       LEU   4  12.024  -4.179  -1.115
   29   HD11  LEU   4          HD11      LEU   4  14.697  -2.942  -1.772
   30   HD12  LEU   4          HD12      LEU   4  13.365  -2.155  -0.929
   31   HD13  LEU   4          HD13      LEU   4  13.181  -2.633  -2.614
   32   HD21  LEU   4          HD21      LEU   4  12.976  -5.018  -3.215
   33   HD22  LEU   4          HD22      LEU   4  12.979  -6.261  -1.962
   34   HD23  LEU   4          HD23      LEU   4  14.473  -5.426  -2.372
   35    H    LEU   5           HN       LEU   5  10.960  -2.763   0.808
   36    HA   LEU   5           HA       LEU   5   9.607  -4.090   2.954
   37    HB2  LEU   5           HB2      LEU   5   9.202  -1.730   1.821
   38    HB3  LEU   5           HB1      LEU   5   8.230  -2.653   0.706
   39    HG   LEU   5           HG       LEU   5   7.772  -2.400   3.682
   40   HD11  LEU   5          HD11      LEU   5   7.256  -0.369   2.586
   41   HD12  LEU   5          HD12      LEU   5   5.751  -1.189   3.007
   42   HD13  LEU   5          HD13      LEU   5   6.336  -1.221   1.343
   43   HD21  LEU   5          HD21      LEU   5   6.081  -3.738   1.601
   44   HD22  LEU   5          HD22      LEU   5   5.667  -3.530   3.302
   45   HD23  LEU   5          HD23      LEU   5   7.022  -4.556   2.843
   46    H    THR   6           HN       THR   6   8.835  -6.119   2.816
   47    HA   THR   6           HA       THR   6   8.751  -7.413   0.227
   48    HB   THR   6           HB       THR   6   8.541  -9.498   1.563
   49    HG1  THR   6           HG1      THR   6   8.812  -9.326   3.842
   50   HG21  THR   6          HG21      THR   6  10.774  -8.669   0.932
   51   HG22  THR   6          HG22      THR   6  10.818  -9.441   2.522
   52   HG23  THR   6          HG23      THR   6  10.827  -7.687   2.396
   53    H    THR   7           HN       THR   7   6.975  -9.129   0.003
   54    HA   THR   7           HA       THR   7   4.451  -7.957  -0.046
   55    HB   THR   7           HB       THR   7   5.139 -10.921  -0.061
   56    HG1  THR   7           HG1      THR   7   5.322 -10.606  -2.327
   57   HG21  THR   7          HG21      THR   7   2.713 -10.438   0.101
   58   HG22  THR   7          HG22      THR   7   3.140 -11.140  -1.463
   59   HG23  THR   7          HG23      THR   7   2.843  -9.409  -1.330
   60    H    ASP   8           HN       ASP   8   6.017 -10.077   2.291
   61    HA   ASP   8           HA       ASP   8   3.810 -10.653   3.979
   62    HB2  ASP   8           HB2      ASP   8   6.743 -10.468   4.684
   63    HB3  ASP   8           HB1      ASP   8   5.502 -10.972   5.809
   64    H    ASP   9           HN       ASP   9   6.179  -8.063   4.014
   65    HA   ASP   9           HA       ASP   9   5.236  -7.029   6.493
   66    HB2  ASP   9           HB2      ASP   9   7.570  -6.760   5.672
   67    HB3  ASP   9           HB1      ASP   9   6.961  -5.635   4.460
   68    H    LEU  10           HN       LEU  10   4.794  -6.172   3.122
   69    HA   LEU  10           HA       LEU  10   3.296  -3.826   3.413
   70    HB2  LEU  10           HB2      LEU  10   4.124  -4.649   1.255
   71    HB3  LEU  10           HB1      LEU  10   3.000  -5.988   1.329
   72    HG   LEU  10           HG       LEU  10   1.144  -4.259   1.379
   73   HD11  LEU  10          HD11      LEU  10   3.376  -2.443   0.504
   74   HD12  LEU  10          HD12      LEU  10   2.428  -2.318   1.986
   75   HD13  LEU  10          HD13      LEU  10   1.657  -2.071   0.419
   76   HD21  LEU  10          HD21      LEU  10   1.177  -3.971  -1.056
   77   HD22  LEU  10          HD22      LEU  10   1.636  -5.608  -0.585
   78   HD23  LEU  10          HD23      LEU  10   2.874  -4.458  -1.087
   79    H    ARG  11           HN       ARG  11   2.368  -7.191   3.305
   80    HA   ARG  11           HA       ARG  11  -0.368  -7.129   3.286
   81    HB2  ARG  11           HB2      ARG  11   1.012  -9.140   3.132
   82    HB3  ARG  11           HB1      ARG  11   1.445  -8.988   4.823
   83    HG2  ARG  11           HG2      ARG  11  -0.878  -9.416   5.452
   84    HG3  ARG  11           HG1      ARG  11  -1.311  -9.546   3.741
   85    HD2  ARG  11           HD2      ARG  11  -0.978 -11.763   4.704
   86    HD3  ARG  11           HD1      ARG  11   0.248 -11.421   3.484
   87    HE   ARG  11           HE       ARG  11   0.789 -11.023   6.344
   88   HH11  ARG  11          HH11      ARG  11   1.705 -12.587   3.277
   89   HH12  ARG  11          HH12      ARG  11   3.183 -13.191   3.927
   90   HH21  ARG  11          HH21      ARG  11   2.766 -11.866   7.136
   91   HH22  ARG  11          HH22      ARG  11   3.780 -12.791   6.086
   92    H    ARG  12           HN       ARG  12   1.775  -6.824   6.044
   93    HA   ARG  12           HA       ARG  12  -0.131  -6.885   8.142
   94    HB2  ARG  12           HB2      ARG  12   2.440  -5.284   8.067
   95    HB3  ARG  12           HB1      ARG  12   1.601  -5.859   9.490
   96    HG2  ARG  12           HG2      ARG  12   2.284  -8.054   9.150
   97    HG3  ARG  12           HG1      ARG  12   2.726  -7.753   7.463
   98    HD2  ARG  12           HD2      ARG  12   4.730  -7.922   8.805
   99    HD3  ARG  12           HD1      ARG  12   4.527  -6.267   8.246
  100    HE   ARG  12           HE       ARG  12   3.410  -6.647  10.832
  101   HH11  ARG  12          HH11      ARG  12   6.472  -5.863   9.106
  102   HH12  ARG  12          HH12      ARG  12   7.295  -5.572  10.558
  103   HH21  ARG  12          HH21      ARG  12   4.646  -6.046  12.781
  104   HH22  ARG  12          HH22      ARG  12   6.271  -5.579  12.613
  105    H    ALA  13           HN       ALA  13   1.523  -4.113   6.703
  106    HA   ALA  13           HA       ALA  13  -0.017  -2.245   8.139
  107    HB1  ALA  13           HB1      ALA  13   1.692  -1.770   5.712
  108    HB2  ALA  13           HB2      ALA  13   2.257  -1.777   7.382
  109    HB3  ALA  13           HB3      ALA  13   1.117  -0.546   6.846
  110    H    LEU  14           HN       LEU  14  -0.335  -3.575   4.896
  111    HA   LEU  14           HA       LEU  14  -2.211  -1.785   3.881
  112    HB2  LEU  14           HB2      LEU  14  -0.980  -3.616   2.659
  113    HB3  LEU  14           HB1      LEU  14  -2.065  -4.767   3.393
  114    HG   LEU  14           HG       LEU  14  -3.965  -3.687   2.239
  115   HD11  LEU  14          HD11      LEU  14  -3.537  -2.076   0.473
  116   HD12  LEU  14          HD12      LEU  14  -1.818  -2.095   0.852
  117   HD13  LEU  14          HD13      LEU  14  -2.973  -1.456   2.025
  118   HD21  LEU  14          HD21      LEU  14  -3.418  -4.509   0.010
  119   HD22  LEU  14          HD22      LEU  14  -2.840  -5.626   1.250
  120   HD23  LEU  14          HD23      LEU  14  -1.710  -4.549   0.434
  121    H    VAL  15           HN       VAL  15  -2.660  -4.827   5.641
  122    HA   VAL  15           HA       VAL  15  -5.457  -4.877   5.834
  123    HB   VAL  15           HB       VAL  15  -3.349  -5.969   7.752
  124   HG11  VAL  15          HG11      VAL  15  -6.303  -6.612   7.591
  125   HG12  VAL  15          HG12      VAL  15  -5.506  -5.742   8.900
  126   HG13  VAL  15          HG13      VAL  15  -5.131  -7.444   8.613
  127   HG21  VAL  15          HG21      VAL  15  -3.883  -8.121   6.684
  128   HG22  VAL  15          HG22      VAL  15  -3.179  -6.954   5.588
  129   HG23  VAL  15          HG23      VAL  15  -4.919  -7.279   5.521
  130    H    GLU  16           HN       GLU  16  -3.074  -3.717   8.196
  131    HA   GLU  16           HA       GLU  16  -4.967  -2.916  10.111
  132    HB2  GLU  16           HB2      GLU  16  -2.100  -2.027   9.858
  133    HB3  GLU  16           HB1      GLU  16  -3.093  -1.979  11.315
  134    HG2  GLU  16           HG2      GLU  16  -3.299  -4.428  11.233
  135    HG3  GLU  16           HG1      GLU  16  -2.243  -4.461   9.837
  136    H    SER  17           HN       SER  17  -3.769  -1.238   7.339
  137    HA   SER  17           HA       SER  17  -4.583   1.357   8.342
  138    HB2  SER  17           HB2      SER  17  -3.655   0.537   5.587
  139    HB3  SER  17           HB1      SER  17  -3.880   2.195   6.150
  140    HG   SER  17           HG       SER  17  -1.996   0.268   6.911
  141    H    ALA  18           HN       ALA  18  -6.083  -1.264   6.779
  142    HA   ALA  18           HA       ALA  18  -8.164   0.302   5.549
  143    HB1  ALA  18           HB1      ALA  18  -9.242  -1.871   5.137
  144    HB2  ALA  18           HB2      ALA  18  -8.023  -2.668   6.131
  145    HB3  ALA  18           HB3      ALA  18  -7.557  -1.902   4.610
  146    H    GLY  19           HN       GLY  19  -7.823  -1.846   8.322
  147    HA2  GLY  19           HA2      GLY  19  -8.584  -1.228  10.480
  148    HA3  GLY  19           HA1      GLY  19  -9.789  -0.198   9.717
  149    H    GLU  20           HN       GLU  20 -11.658  -0.963  10.440
  150    HA   GLU  20           HA       GLU  20 -12.072  -3.868  10.541
  151    HB2  GLU  20           HB2      GLU  20 -13.692  -1.622  11.740
  152    HB3  GLU  20           HB1      GLU  20 -13.914  -3.336  12.035
  153    HG2  GLU  20           HG2      GLU  20 -11.492  -1.727  12.825
  154    HG3  GLU  20           HG1      GLU  20 -12.814  -2.191  13.890
  155    H    THR  21           HN       THR  21 -12.199  -2.075   8.153
  156    HA   THR  21           HA       THR  21 -14.956  -1.739   7.466
  157    HB   THR  21           HB       THR  21 -13.245  -0.129   6.752
  158    HG1  THR  21           HG1      THR  21 -14.805   0.097   5.367
  159   HG21  THR  21          HG21      THR  21 -11.643  -0.693   4.919
  160   HG22  THR  21          HG22      THR  21 -12.158  -2.387   5.067
  161   HG23  THR  21          HG23      THR  21 -11.355  -1.595   6.409
  162    H    ASP  22           HN       ASP  22 -15.058  -4.172   8.005
  163    HA   ASP  22           HA       ASP  22 -15.791  -6.205   7.382
  164    HB2  ASP  22           HB2      ASP  22 -16.907  -5.386   5.464
  165    HB3  ASP  22           HB1      ASP  22 -15.421  -5.229   4.539
  166    H    GLY  23           HN       GLY  23 -14.779  -7.911   7.780
  167    HA2  GLY  23           HA2      GLY  23 -12.019  -7.980   7.441
  168    HA3  GLY  23           HA1      GLY  23 -12.981  -9.327   8.075
  169    H    THR  24           HN       THR  24 -11.413  -7.934   5.452
  170    HA   THR  24           HA       THR  24 -12.200 -10.054   3.623
  171    HB   THR  24           HB       THR  24 -12.530  -7.804   2.773
  172    HG1  THR  24           HG1      THR  24 -11.689  -8.048   0.924
  173   HG21  THR  24          HG21      THR  24 -10.978  -6.546   4.173
  174   HG22  THR  24          HG22      THR  24 -10.698  -6.179   2.473
  175   HG23  THR  24          HG23      THR  24  -9.604  -7.269   3.331
  176    H    ASP  25           HN       ASP  25 -10.771 -11.670   3.317
  177    HA   ASP  25           HA       ASP  25  -8.370 -11.749   4.863
  178    HB2  ASP  25           HB2      ASP  25  -9.719 -13.790   4.357
  179    HB3  ASP  25           HB1      ASP  25  -9.156 -13.699   2.687
  180    H    LEU  26           HN       LEU  26  -6.650 -10.704   4.396
  181    HA   LEU  26           HA       LEU  26  -5.678 -10.597   1.613
  182    HB2  LEU  26           HB2      LEU  26  -5.529  -8.650   3.877
  183    HB3  LEU  26           HB1      LEU  26  -4.181  -8.716   2.766
  184    HG   LEU  26           HG       LEU  26  -5.667  -8.107   0.914
  185   HD11  LEU  26          HD11      LEU  26  -7.743  -9.064   1.728
  186   HD12  LEU  26          HD12      LEU  26  -7.926  -7.353   1.323
  187   HD13  LEU  26          HD13      LEU  26  -7.802  -7.857   3.012
  188   HD21  LEU  26          HD21      LEU  26  -5.831  -6.269   3.280
  189   HD22  LEU  26          HD22      LEU  26  -6.081  -5.808   1.591
  190   HD23  LEU  26          HD23      LEU  26  -4.504  -6.375   2.125
  191    H    SER  27           HN       SER  27  -5.426 -12.692   3.697
  192    HA   SER  27           HA       SER  27  -2.598 -12.468   4.328
  193    HB2  SER  27           HB2      SER  27  -4.266 -12.910   6.163
  194    HB3  SER  27           HB1      SER  27  -4.629 -14.449   5.388
  195    HG   SER  27           HG       SER  27  -3.152 -14.759   7.010
  196    H    GLY  28           HN       GLY  28  -4.333 -13.463   1.895
  197    HA2  GLY  28           HA2      GLY  28  -2.319 -15.392   1.069
  198    HA3  GLY  28           HA1      GLY  28  -3.971 -15.978   1.144
  199    H    ASP  29           HN       ASP  29  -1.713 -14.841  -0.844
  200    HA   ASP  29           HA       ASP  29  -1.588 -14.021  -2.921
  201    HB2  ASP  29           HB2      ASP  29  -4.135 -15.624  -3.090
  202    HB3  ASP  29           HB1      ASP  29  -3.280 -15.004  -4.506
  203    H    PHE  30           HN       PHE  30  -2.561 -12.122  -1.270
  204    HA   PHE  30           HA       PHE  30  -4.774 -10.693  -2.474
  205    HB2  PHE  30           HB2      PHE  30  -4.424  -9.068  -0.743
  206    HB3  PHE  30           HB1      PHE  30  -4.215 -10.654  -0.003
  207    HD1  PHE  30           HD2      PHE  30  -1.756 -11.509   0.214
  208    HD2  PHE  30           HD1      PHE  30  -2.804  -7.443  -0.482
  209    HE1  PHE  30           HE2      PHE  30   0.471 -10.807   0.986
  210    HE2  PHE  30           HE1      PHE  30  -0.565  -6.737   0.288
  211    HZ   PHE  30           HZ       PHE  30   1.062  -8.424   1.016
  212    H    LEU  31           HN       LEU  31  -1.617 -11.086  -3.325
  213    HA   LEU  31           HA       LEU  31  -0.559  -8.516  -3.607
  214    HB2  LEU  31           HB2      LEU  31   0.702 -10.661  -3.648
  215    HB3  LEU  31           HB1      LEU  31   0.125 -10.914  -5.285
  216    HG   LEU  31           HG       LEU  31   1.302  -8.874  -6.008
  217   HD11  LEU  31          HD11      LEU  31   2.335  -8.840  -3.169
  218   HD12  LEU  31          HD12      LEU  31   1.262  -7.650  -3.901
  219   HD13  LEU  31          HD13      LEU  31   2.919  -7.826  -4.487
  220   HD21  LEU  31          HD21      LEU  31   3.566  -9.771  -5.819
  221   HD22  LEU  31          HD22      LEU  31   2.393 -11.027  -6.199
  222   HD23  LEU  31          HD23      LEU  31   3.018 -10.878  -4.553
  223    H    ASP  32           HN       ASP  32  -2.487 -10.416  -5.854
  224    HA   ASP  32           HA       ASP  32  -2.547  -8.074  -7.635
  225    HB2  ASP  32           HB2      ASP  32  -2.824 -10.998  -8.335
  226    HB3  ASP  32           HB1      ASP  32  -3.248  -9.703  -9.451
  227    H    LEU  33           HN       LEU  33  -4.151  -8.801  -5.279
  228    HA   LEU  33           HA       LEU  33  -6.803  -9.048  -6.436
  229    HB2  LEU  33           HB2      LEU  33  -6.107 -10.261  -4.324
  230    HB3  LEU  33           HB1      LEU  33  -5.938  -8.707  -3.548
  231    HG   LEU  33           HG       LEU  33  -8.348  -8.320  -3.750
  232   HD11  LEU  33          HD11      LEU  33  -8.726  -9.549  -5.846
  233   HD12  LEU  33          HD12      LEU  33  -9.809 -10.105  -4.571
  234   HD13  LEU  33          HD13      LEU  33  -8.397 -11.069  -5.011
  235   HD21  LEU  33          HD21      LEU  33  -7.636 -11.019  -2.622
  236   HD22  LEU  33          HD22      LEU  33  -9.068 -10.072  -2.216
  237   HD23  LEU  33          HD23      LEU  33  -7.465  -9.468  -1.793
  238    H    ARG  34           HN       ARG  34  -8.162  -7.203  -6.562
  239    HA   ARG  34           HA       ARG  34  -6.533  -4.841  -6.848
  240    HB2  ARG  34           HB2      ARG  34  -9.450  -5.208  -7.473
  241    HB3  ARG  34           HB1      ARG  34  -8.382  -3.944  -8.066
  242    HG2  ARG  34           HG2      ARG  34  -7.096  -5.595  -9.318
  243    HG3  ARG  34           HG1      ARG  34  -8.141  -6.877  -8.706
  244    HD2  ARG  34           HD2      ARG  34  -8.811  -6.237 -10.950
  245    HD3  ARG  34           HD1      ARG  34 -10.066  -5.808  -9.785
  246    HE   ARG  34           HE       ARG  34  -8.179  -3.736 -10.291
  247   HH11  ARG  34          HH11      ARG  34 -11.112  -5.215 -11.637
  248   HH12  ARG  34          HH12      ARG  34 -11.689  -3.739 -12.302
  249   HH21  ARG  34          HH21      ARG  34  -8.980  -1.792 -11.161
  250   HH22  ARG  34          HH22      ARG  34 -10.476  -1.726 -12.014
  251    H    PHE  35           HN       PHE  35  -6.947  -2.857  -5.925
  252    HA   PHE  35           HA       PHE  35  -7.890  -2.807  -3.280
  253    HB2  PHE  35           HB2      PHE  35  -7.436  -0.497  -5.190
  254    HB3  PHE  35           HB1      PHE  35  -7.817  -0.291  -3.485
  255    HD1  PHE  35           HD2      PHE  35  -6.201  -1.936  -1.972
  256    HD2  PHE  35           HD1      PHE  35  -5.241  -0.154  -5.708
  257    HE1  PHE  35           HE2      PHE  35  -3.816  -2.100  -1.431
  258    HE2  PHE  35           HE1      PHE  35  -2.849  -0.321  -5.171
  259    HZ   PHE  35           HZ       PHE  35  -2.137  -1.244  -3.000
  260    H    GLU  36           HN       GLU  36  -9.484  -2.409  -6.270
  261    HA   GLU  36           HA       GLU  36 -11.875  -1.243  -5.331
  262    HB2  GLU  36           HB2      GLU  36 -11.393  -3.029  -7.718
  263    HB3  GLU  36           HB1      GLU  36 -12.835  -2.054  -7.447
  264    HG2  GLU  36           HG2      GLU  36 -10.039  -0.997  -7.824
  265    HG3  GLU  36           HG1      GLU  36 -11.311  -1.005  -9.043
  266    H    ASP  37           HN       ASP  37 -10.782  -4.617  -5.742
  267    HA   ASP  37           HA       ASP  37 -13.181  -5.944  -5.031
  268    HB2  ASP  37           HB2      ASP  37 -10.307  -6.838  -4.660
  269    HB3  ASP  37           HB1      ASP  37 -11.694  -7.844  -4.327
  270    H    ILE  38           HN       ILE  38 -10.319  -5.020  -3.234
  271    HA   ILE  38           HA       ILE  38 -11.463  -5.997  -0.796
  272    HB   ILE  38           HB       ILE  38  -9.287  -5.402   0.263
  273   HG12  ILE  38          HG12      ILE  38  -8.564  -4.551  -2.558
  274   HG13  ILE  38          HG11      ILE  38  -8.673  -3.495  -1.156
  275   HG21  ILE  38          HG21      ILE  38  -9.691  -7.608  -0.721
  276   HG22  ILE  38          HG22      ILE  38  -8.010  -7.131  -0.912
  277   HG23  ILE  38          HG23      ILE  38  -9.111  -7.021  -2.283
  278   HD11  ILE  38          HD11      ILE  38  -6.660  -5.704  -1.560
  279   HD12  ILE  38          HD12      ILE  38  -6.772  -4.665  -0.142
  280   HD13  ILE  38          HD13      ILE  38  -6.364  -3.970  -1.708
  281    H    GLY  39           HN       GLY  39 -12.272  -3.455  -2.273
  282    HA2  GLY  39           HA2      GLY  39 -13.347  -1.517  -1.718
  283    HA3  GLY  39           HA1      GLY  39 -13.585  -2.267  -0.154
  284    H    TYR  40           HN       TYR  40 -10.654  -0.995  -1.757
  285    HA   TYR  40           HA       TYR  40 -10.180   0.433   0.696
  286    HB2  TYR  40           HB2      TYR  40  -8.318  -0.009  -1.646
  287    HB3  TYR  40           HB1      TYR  40  -8.058   1.291  -0.515
  288    HD1  TYR  40           HD2      TYR  40  -9.348  -2.129   0.182
  289    HD2  TYR  40           HD1      TYR  40  -6.212   0.680   0.707
  290    HE1  TYR  40           HE2      TYR  40  -8.259  -3.654   1.759
  291    HE2  TYR  40           HE1      TYR  40  -5.106  -0.827   2.285
  292    HH   TYR  40           HH       TYR  40  -6.041  -4.077   2.722
  293    H    ASP  41           HN       ASP  41 -10.577   2.275   1.159
  294    HA   ASP  41           HA       ASP  41 -11.964   4.078  -0.559
  295    HB2  ASP  41           HB2      ASP  41 -12.092   3.820   2.072
  296    HB3  ASP  41           HB1      ASP  41 -10.599   4.774   1.972
  297    H    SER  42           HN       SER  42 -11.089   6.367  -0.562
  298    HA   SER  42           HA       SER  42  -8.601   6.361  -1.945
  299    HB2  SER  42           HB2      SER  42  -9.265   8.921  -1.885
  300    HB3  SER  42           HB1      SER  42 -10.143   7.783  -2.926
  301    H    LEU  43           HN       LEU  43  -9.925   7.515   1.089
  302    HA   LEU  43           HA       LEU  43  -7.565   8.779   2.039
  303    HB2  LEU  43           HB2      LEU  43  -9.854   7.547   3.575
  304    HB3  LEU  43           HB1      LEU  43  -8.595   8.517   4.293
  305    HG   LEU  43           HG       LEU  43 -10.602   9.495   2.266
  306   HD11  LEU  43          HD11      LEU  43 -11.585   9.017   4.456
  307   HD12  LEU  43          HD12      LEU  43 -11.526  10.751   4.143
  308   HD13  LEU  43          HD13      LEU  43 -10.350  10.008   5.226
  309   HD21  LEU  43          HD21      LEU  43  -8.473  10.951   3.826
  310   HD22  LEU  43          HD22      LEU  43  -9.687  11.706   2.789
  311   HD23  LEU  43          HD23      LEU  43  -8.460  10.652   2.090
  312    H    ALA  44           HN       ALA  44  -8.905   5.592   2.318
  313    HA   ALA  44           HA       ALA  44  -7.133   4.484   4.157
  314    HB1  ALA  44           HB1      ALA  44  -8.542   3.043   1.914
  315    HB2  ALA  44           HB2      ALA  44  -9.238   3.402   3.495
  316    HB3  ALA  44           HB3      ALA  44  -7.864   2.300   3.360
  317    H    LEU  45           HN       LEU  45  -6.845   4.795   0.648
  318    HA   LEU  45           HA       LEU  45  -4.555   3.193   0.284
  319    HB2  LEU  45           HB2      LEU  45  -6.132   4.351  -1.464
  320    HB3  LEU  45           HB1      LEU  45  -5.106   5.741  -1.251
  321    HG   LEU  45           HG       LEU  45  -4.372   4.748  -3.240
  322   HD11  LEU  45          HD11      LEU  45  -2.170   3.872  -2.896
  323   HD12  LEU  45          HD12      LEU  45  -2.535   3.673  -1.175
  324   HD13  LEU  45          HD13      LEU  45  -2.478   5.295  -1.885
  325   HD21  LEU  45          HD21      LEU  45  -3.810   2.506  -3.567
  326   HD22  LEU  45          HD22      LEU  45  -5.514   2.640  -3.093
  327   HD23  LEU  45          HD23      LEU  45  -4.275   2.068  -1.924
  328    H    MET  46           HN       MET  46  -4.972   6.652   0.929
  329    HA   MET  46           HA       MET  46  -2.262   7.512   0.891
  330    HB2  MET  46           HB2      MET  46  -4.295   8.726   2.751
  331    HB3  MET  46           HB1      MET  46  -3.002   9.527   1.865
  332    HG2  MET  46           HG2      MET  46  -4.276   8.906  -0.200
  333    HG3  MET  46           HG1      MET  46  -5.537   8.430   0.948
  334    HE1  MET  46           HE1      MET  46  -5.790  10.645  -1.410
  335    HE2  MET  46           HE2      MET  46  -6.776  11.871  -0.623
  336    HE3  MET  46           HE3      MET  46  -7.171  10.165  -0.424
  337    H    GLU  47           HN       GLU  47  -4.433   6.698   3.466
  338    HA   GLU  47           HA       GLU  47  -2.757   6.936   5.631
  339    HB2  GLU  47           HB2      GLU  47  -5.185   5.636   4.859
  340    HB3  GLU  47           HB1      GLU  47  -4.610   5.185   6.511
  341    HG2  GLU  47           HG2      GLU  47  -4.623   7.733   6.850
  342    HG3  GLU  47           HG1      GLU  47  -5.450   7.830   5.299
  343    H    THR  48           HN       THR  48  -3.274   4.164   3.514
  344    HA   THR  48           HA       THR  48  -1.709   2.265   4.889
  345    HB   THR  48           HB       THR  48  -2.270   2.606   1.922
  346    HG1  THR  48           HG1      THR  48  -4.150   2.280   3.118
  347   HG21  THR  48          HG21      THR  48  -1.301   0.138   3.385
  348   HG22  THR  48          HG22      THR  48  -0.330   1.147   2.310
  349   HG23  THR  48          HG23      THR  48  -1.712   0.251   1.666
  350    H    ALA  49           HN       ALA  49  -0.918   4.323   2.091
  351    HA   ALA  49           HA       ALA  49   1.788   3.715   1.899
  352    HB1  ALA  49           HB1      ALA  49   1.980   5.742   0.536
  353    HB2  ALA  49           HB2      ALA  49   0.405   6.279   1.118
  354    HB3  ALA  49           HB3      ALA  49   0.523   4.832   0.121
  355    H    ALA  50           HN       ALA  50   0.210   6.418   3.559
  356    HA   ALA  50           HA       ALA  50   2.449   7.767   4.487
  357    HB1  ALA  50           HB1      ALA  50   0.975   8.808   6.121
  358    HB2  ALA  50           HB2      ALA  50  -0.240   7.562   5.842
  359    HB3  ALA  50           HB3      ALA  50   0.179   8.686   4.557
  360    H    ARG  51           HN       ARG  51   0.816   4.960   5.855
  361    HA   ARG  51           HA       ARG  51   2.179   5.060   8.344
  362    HB2  ARG  51           HB2      ARG  51   0.121   3.699   8.017
  363    HB3  ARG  51           HB1      ARG  51   1.039   2.596   6.998
  364    HG2  ARG  51           HG2      ARG  51   0.972   1.563   9.106
  365    HG3  ARG  51           HG1      ARG  51   2.581   2.259   8.988
  366    HD2  ARG  51           HD2      ARG  51   0.234   3.224  10.631
  367    HD3  ARG  51           HD1      ARG  51   1.848   2.723  11.144
  368    HE   ARG  51           HE       ARG  51   2.630   4.806   9.965
  369   HH11  ARG  51          HH11      ARG  51  -0.461   4.543  11.668
  370   HH12  ARG  51          HH12      ARG  51  -0.711   6.209  11.850
  371   HH21  ARG  51          HH21      ARG  51   2.356   7.149  10.223
  372   HH22  ARG  51          HH22      ARG  51   0.955   7.754  10.980
  373    H    LEU  52           HN       LEU  52   2.811   3.532   5.286
  374    HA   LEU  52           HA       LEU  52   5.120   2.101   6.113
  375    HB2  LEU  52           HB2      LEU  52   4.274   3.034   3.368
  376    HB3  LEU  52           HB1      LEU  52   5.541   1.872   3.694
  377    HG   LEU  52           HG       LEU  52   2.613   1.471   4.344
  378   HD11  LEU  52          HD11      LEU  52   2.632  -0.152   2.541
  379   HD12  LEU  52          HD12      LEU  52   4.298   0.291   2.153
  380   HD13  LEU  52          HD13      LEU  52   2.999   1.465   1.953
  381   HD21  LEU  52          HD21      LEU  52   4.978  -0.395   4.554
  382   HD22  LEU  52          HD22      LEU  52   3.292  -0.848   4.776
  383   HD23  LEU  52          HD23      LEU  52   4.059   0.282   5.897
  384    H    GLU  53           HN       GLU  53   4.527   5.254   4.694
  385    HA   GLU  53           HA       GLU  53   7.150   6.123   4.308
  386    HB2  GLU  53           HB2      GLU  53   4.762   7.775   5.153
  387    HB3  GLU  53           HB1      GLU  53   6.242   8.392   4.453
  388    HG2  GLU  53           HG2      GLU  53   5.771   7.246   2.376
  389    HG3  GLU  53           HG1      GLU  53   4.318   6.540   3.082
  390    H    SER  54           HN       SER  54   5.096   6.126   7.203
  391    HA   SER  54           HA       SER  54   6.653   7.778   8.875
  392    HB2  SER  54           HB2      SER  54   4.951   5.412   9.707
  393    HB3  SER  54           HB1      SER  54   5.407   6.781  10.714
  394    HG   SER  54           HG       SER  54   4.054   7.396   8.346
  395    H    ARG  55           HN       ARG  55   6.799   4.356   8.193
  396    HA   ARG  55           HA       ARG  55   8.869   3.889  10.156
  397    HB2  ARG  55           HB2      ARG  55   7.180   2.244  10.034
  398    HB3  ARG  55           HB1      ARG  55   7.365   2.078   8.293
  399    HG2  ARG  55           HG2      ARG  55   9.546   1.059   8.625
  400    HG3  ARG  55           HG1      ARG  55   9.391   1.273  10.370
  401    HD2  ARG  55           HD2      ARG  55   7.558  -0.199  10.494
  402    HD3  ARG  55           HD1      ARG  55   7.369  -0.239   8.746
  403    HE   ARG  55           HE       ARG  55   9.866  -1.226   9.823
  404   HH11  ARG  55          HH11      ARG  55   6.591  -2.001   8.737
  405   HH12  ARG  55          HH12      ARG  55   7.014  -3.543   8.143
  406   HH21  ARG  55          HH21      ARG  55  10.376  -3.511   9.066
  407   HH22  ARG  55          HH22      ARG  55   9.068  -4.385   8.382
  408    H    TYR  56           HN       TYR  56   8.572   3.514   6.615
  409    HA   TYR  56           HA       TYR  56  11.337   2.790   6.421
  410    HB2  TYR  56           HB2      TYR  56   9.180   3.134   4.356
  411    HB3  TYR  56           HB1      TYR  56  10.837   2.742   3.924
  412    HD1  TYR  56           HD2      TYR  56   7.868   1.546   5.736
  413    HD2  TYR  56           HD1      TYR  56  11.687   0.514   4.204
  414    HE1  TYR  56           HE2      TYR  56   7.362  -0.833   6.101
  415    HE2  TYR  56           HE1      TYR  56  11.192  -1.870   4.554
  416    HH   TYR  56           HH       TYR  56   9.770  -3.337   5.719
  417    H    GLY  57           HN       GLY  57   9.591   5.773   6.125
  418    HA2  GLY  57           HA2      GLY  57  10.559   7.870   6.058
  419    HA3  GLY  57           HA1      GLY  57  12.111   7.120   5.702
  420    H    VAL  58           HN       VAL  58   9.201   6.472   3.899
  421    HA   VAL  58           HA       VAL  58  10.515   7.711   1.582
  422    HB   VAL  58           HB       VAL  58   9.260   6.243   0.104
  423   HG11  VAL  58          HG11      VAL  58  10.197   4.070   0.744
  424   HG12  VAL  58          HG12      VAL  58  10.467   4.705   2.368
  425   HG13  VAL  58          HG13      VAL  58  11.352   5.394   1.003
  426   HG21  VAL  58          HG21      VAL  58   7.986   5.071   2.587
  427   HG22  VAL  58          HG22      VAL  58   7.811   4.464   0.937
  428   HG23  VAL  58          HG23      VAL  58   7.178   6.054   1.356
  429    H    SER  59           HN       SER  59   8.508   8.121  -0.198
  430    HA   SER  59           HA       SER  59   6.267   9.374   1.103
  431    HB2  SER  59           HB2      SER  59   8.192  11.012  -0.579
  432    HB3  SER  59           HB1      SER  59   6.661  11.578   0.081
  433    HG   SER  59           HG       SER  59   8.202  10.488   2.001
  434    H    ILE  60           HN       ILE  60   4.569   8.883  -0.088
  435    HA   ILE  60           HA       ILE  60   4.876   8.646  -3.008
  436    HB   ILE  60           HB       ILE  60   2.859   7.238  -1.214
  437   HG12  ILE  60          HG12      ILE  60   5.085   6.121  -2.942
  438   HG13  ILE  60          HG11      ILE  60   5.064   6.168  -1.183
  439   HG21  ILE  60          HG21      ILE  60   2.019   6.156  -3.272
  440   HG22  ILE  60          HG22      ILE  60   3.084   7.189  -4.231
  441   HG23  ILE  60          HG23      ILE  60   1.784   7.909  -3.285
  442   HD11  ILE  60          HD11      ILE  60   4.529   3.955  -1.993
  443   HD12  ILE  60          HD12      ILE  60   3.191   4.601  -2.942
  444   HD13  ILE  60          HD13      ILE  60   3.129   4.655  -1.182
  445    HA   PRO  61           HA       PRO  61   2.277  12.301  -2.811
  446    HB2  PRO  61           HB2      PRO  61   2.255  11.800  -5.744
  447    HB3  PRO  61           HB1      PRO  61   2.656  13.278  -4.864
  448    HG2  PRO  61           HG2      PRO  61   4.579  11.830  -6.005
  449    HG3  PRO  61           HG1      PRO  61   4.826  12.576  -4.414
  450    HD2  PRO  61           HD2      PRO  61   4.169   9.735  -5.092
  451    HD3  PRO  61           HD1      PRO  61   5.329  10.367  -3.899
  452    H    ASP  62           HN       ASP  62   0.083  12.470  -2.831
  453    HA   ASP  62           HA       ASP  62  -1.538  10.181  -2.887
  454    HB2  ASP  62           HB2      ASP  62  -3.466  11.635  -2.646
  455    HB3  ASP  62           HB1      ASP  62  -2.151  12.312  -1.699
  456    H    ASP  63           HN       ASP  63  -0.710  12.402  -5.343
  457    HA   ASP  63           HA       ASP  63  -2.527  11.796  -7.370
  458    HB2  ASP  63           HB2      ASP  63  -1.035  13.667  -7.561
  459    HB3  ASP  63           HB1      ASP  63   0.371  12.618  -7.517
  460    H    VAL  64           HN       VAL  64   0.421  10.143  -6.374
  461    HA   VAL  64           HA       VAL  64   0.384   8.351  -8.635
  462    HB   VAL  64           HB       VAL  64   2.169   8.212  -6.189
  463   HG11  VAL  64          HG11      VAL  64   2.589   7.106  -8.964
  464   HG12  VAL  64          HG12      VAL  64   2.167   6.178  -7.521
  465   HG13  VAL  64          HG13      VAL  64   3.722   6.998  -7.615
  466   HG21  VAL  64          HG21      VAL  64   2.410  10.401  -7.189
  467   HG22  VAL  64          HG22      VAL  64   2.672   9.670  -8.777
  468   HG23  VAL  64          HG23      VAL  64   3.852   9.434  -7.487
  469    H    ALA  65           HN       ALA  65  -0.707   8.381  -5.324
  470    HA   ALA  65           HA       ALA  65  -0.972   5.658  -4.845
  471    HB1  ALA  65           HB1      ALA  65  -2.542   8.007  -3.790
  472    HB2  ALA  65           HB2      ALA  65  -1.024   7.397  -3.127
  473    HB3  ALA  65           HB3      ALA  65  -2.474   6.392  -3.076
  474    H    GLY  66           HN       GLY  66  -2.989   8.066  -6.423
  475    HA2  GLY  66           HA2      GLY  66  -5.208   6.265  -6.764
  476    HA3  GLY  66           HA1      GLY  66  -5.047   7.885  -7.429
  477    H    ARG  67           HN       ARG  67  -2.301   5.990  -8.104
  478    HA   ARG  67           HA       ARG  67  -3.291   5.512 -10.818
  479    HB2  ARG  67           HB2      ARG  67  -0.481   5.871  -9.801
  480    HB3  ARG  67           HB1      ARG  67  -0.915   5.493 -11.452
  481    HG2  ARG  67           HG2      ARG  67  -2.106   7.600 -11.633
  482    HG3  ARG  67           HG1      ARG  67  -1.678   7.980  -9.959
  483    HD2  ARG  67           HD2      ARG  67  -0.185   9.103 -11.522
  484    HD3  ARG  67           HD1      ARG  67   0.694   7.928 -10.550
  485    HE   ARG  67           HE       ARG  67   0.676   6.456 -12.445
  486   HH11  ARG  67          HH11      ARG  67  -0.126   9.863 -13.063
  487   HH12  ARG  67          HH12      ARG  67   0.370   9.854 -14.686
  488   HH21  ARG  67          HH21      ARG  67   1.359   6.426 -14.730
  489   HH22  ARG  67          HH22      ARG  67   1.248   7.851 -15.644
  490    H    VAL  68           HN       VAL  68  -2.818   3.852  -8.019
  491    HA   VAL  68           HA       VAL  68  -1.759   1.558  -9.454
  492    HB   VAL  68           HB       VAL  68  -1.262   0.501  -7.246
  493   HG11  VAL  68          HG11      VAL  68   0.445   1.725  -8.457
  494   HG12  VAL  68          HG12      VAL  68   0.650   1.906  -6.710
  495   HG13  VAL  68          HG13      VAL  68  -0.037   3.218  -7.659
  496   HG21  VAL  68          HG21      VAL  68  -2.069   3.190  -6.129
  497   HG22  VAL  68          HG22      VAL  68  -1.258   1.907  -5.233
  498   HG23  VAL  68          HG23      VAL  68  -2.901   1.656  -5.842
  499    H    ASP  69           HN       ASP  69  -2.715  -0.559  -9.007
  500    HA   ASP  69           HA       ASP  69  -5.617  -0.315  -8.440
  501    HB2  ASP  69           HB2      ASP  69  -4.953  -0.670 -10.889
  502    HB3  ASP  69           HB1      ASP  69  -4.318  -2.211 -10.370
  503    H    THR  70           HN       THR  70  -2.743  -2.284  -8.433
  504    HA   THR  70           HA       THR  70  -3.993  -4.115  -6.540
  505    HB   THR  70           HB       THR  70  -2.461  -5.855  -7.470
  506    HG1  THR  70           HG1      THR  70  -1.702  -3.667  -9.142
  507   HG21  THR  70          HG21      THR  70  -4.733  -5.663  -8.368
  508   HG22  THR  70          HG22      THR  70  -3.606  -6.082  -9.670
  509   HG23  THR  70          HG23      THR  70  -4.179  -4.420  -9.488
  510    HA   PRO  71           HA       PRO  71  -1.114  -3.027  -3.394
  511    HB2  PRO  71           HB2      PRO  71  -0.592  -5.951  -3.137
  512    HB3  PRO  71           HB1      PRO  71  -1.014  -4.769  -1.886
  513    HG2  PRO  71           HG2      PRO  71  -2.863  -6.412  -2.779
  514    HG3  PRO  71           HG1      PRO  71  -3.251  -4.692  -2.546
  515    HD2  PRO  71           HD2      PRO  71  -2.674  -6.174  -5.075
  516    HD3  PRO  71           HD1      PRO  71  -3.899  -4.931  -4.742
  517    H    ARG  72           HN       ARG  72   0.087  -5.373  -5.782
  518    HA   ARG  72           HA       ARG  72   2.786  -5.254  -4.995
  519    HB2  ARG  72           HB2      ARG  72   3.396  -6.203  -7.150
  520    HB3  ARG  72           HB1      ARG  72   1.984  -7.015  -6.512
  521    HG2  ARG  72           HG2      ARG  72   0.559  -5.980  -8.082
  522    HG3  ARG  72           HG1      ARG  72   1.802  -4.817  -8.556
  523    HD2  ARG  72           HD2      ARG  72   1.654  -6.479 -10.270
  524    HD3  ARG  72           HD1      ARG  72   3.168  -6.694  -9.404
  525    HE   ARG  72           HE       ARG  72   0.776  -8.385  -9.079
  526   HH11  ARG  72          HH11      ARG  72   4.319  -7.996  -8.870
  527   HH12  ARG  72          HH12      ARG  72   4.616  -9.669  -8.792
  528   HH21  ARG  72          HH21      ARG  72   1.204 -10.638  -8.888
  529   HH22  ARG  72          HH22      ARG  72   2.813 -11.232  -8.786
  530    H    GLU  73           HN       GLU  73   0.906  -3.126  -7.000
  531    HA   GLU  73           HA       GLU  73   3.103  -1.726  -8.165
  532    HB2  GLU  73           HB2      GLU  73   0.219  -0.930  -7.825
  533    HB3  GLU  73           HB1      GLU  73   1.387  -0.172  -8.905
  534    HG2  GLU  73           HG2      GLU  73   1.510  -2.105 -10.262
  535    HG3  GLU  73           HG1      GLU  73   0.604  -3.064  -9.093
  536    H    LEU  74           HN       LEU  74   1.028  -1.304  -5.391
  537    HA   LEU  74           HA       LEU  74   1.819   1.286  -4.553
  538    HB2  LEU  74           HB2      LEU  74  -0.147  -0.237  -3.760
  539    HB3  LEU  74           HB1      LEU  74   1.114  -0.986  -2.780
  540    HG   LEU  74           HG       LEU  74  -0.417   0.707  -1.588
  541   HD11  LEU  74          HD11      LEU  74   1.642  -0.051  -0.575
  542   HD12  LEU  74          HD12      LEU  74   1.375   1.661  -0.247
  543   HD13  LEU  74          HD13      LEU  74   2.551   1.169  -1.469
  544   HD21  LEU  74          HD21      LEU  74   1.281   2.631  -3.150
  545   HD22  LEU  74          HD22      LEU  74   0.208   3.059  -1.824
  546   HD23  LEU  74          HD23      LEU  74  -0.462   2.402  -3.325
  547    H    LEU  75           HN       LEU  75   2.797  -1.969  -3.651
  548    HA   LEU  75           HA       LEU  75   4.785  -1.513  -1.796
  549    HB2  LEU  75           HB2      LEU  75   3.734  -3.634  -2.229
  550    HB3  LEU  75           HB1      LEU  75   4.359  -3.643  -3.862
  551    HG   LEU  75           HG       LEU  75   6.589  -3.713  -2.940
  552   HD11  LEU  75          HD11      LEU  75   6.167  -2.855  -0.711
  553   HD12  LEU  75          HD12      LEU  75   6.861  -4.468  -0.581
  554   HD13  LEU  75          HD13      LEU  75   5.125  -4.230  -0.343
  555   HD21  LEU  75          HD21      LEU  75   6.482  -6.131  -2.399
  556   HD22  LEU  75          HD22      LEU  75   5.504  -5.646  -3.799
  557   HD23  LEU  75          HD23      LEU  75   4.723  -5.959  -2.256
  558    H    ASP  76           HN       ASP  76   4.831  -1.685  -5.268
  559    HA   ASP  76           HA       ASP  76   7.608  -1.677  -5.735
  560    HB2  ASP  76           HB2      ASP  76   5.986  -2.452  -7.378
  561    HB3  ASP  76           HB1      ASP  76   5.296  -0.834  -7.486
  562    H    LEU  77           HN       LEU  77   5.180   0.834  -5.503
  563    HA   LEU  77           HA       LEU  77   6.741   3.051  -6.263
  564    HB2  LEU  77           HB2      LEU  77   4.452   2.903  -4.317
  565    HB3  LEU  77           HB1      LEU  77   5.098   4.381  -4.984
  566    HG   LEU  77           HG       LEU  77   3.727   2.194  -6.516
  567   HD11  LEU  77          HD11      LEU  77   2.807   4.958  -5.745
  568   HD12  LEU  77          HD12      LEU  77   2.191   3.432  -5.102
  569   HD13  LEU  77          HD13      LEU  77   1.933   3.840  -6.795
  570   HD21  LEU  77          HD21      LEU  77   5.424   3.330  -7.859
  571   HD22  LEU  77          HD22      LEU  77   4.717   4.892  -7.438
  572   HD23  LEU  77          HD23      LEU  77   3.797   3.741  -8.408
  573    H    ILE  78           HN       ILE  78   6.067   1.627  -3.102
  574    HA   ILE  78           HA       ILE  78   7.509   3.339  -1.450
  575    HB   ILE  78           HB       ILE  78   7.170   0.336  -1.176
  576   HG12  ILE  78          HG12      ILE  78   5.018   1.615  -1.249
  577   HG13  ILE  78          HG11      ILE  78   5.298   0.812   0.292
  578   HG21  ILE  78          HG21      ILE  78   7.998   2.367   0.899
  579   HG22  ILE  78          HG22      ILE  78   9.010   1.102   0.201
  580   HG23  ILE  78          HG23      ILE  78   7.642   0.669   1.222
  581   HD11  ILE  78          HD11      ILE  78   5.734   3.733  -0.288
  582   HD12  ILE  78          HD12      ILE  78   5.990   2.938   1.268
  583   HD13  ILE  78          HD13      ILE  78   4.369   3.042   0.586
  584    H    ASN  79           HN       ASN  79   8.551   0.206  -2.746
  585    HA   ASN  79           HA       ASN  79  11.208   0.475  -1.896
  586    HB2  ASN  79           HB2      ASN  79  10.014  -1.370  -3.962
  587    HB3  ASN  79           HB1      ASN  79  11.692  -1.465  -3.441
  588   HD21  ASN  79          HD21      ASN  79   9.703  -3.494  -3.170
  589   HD22  ASN  79          HD22      ASN  79   9.481  -3.791  -1.479
  590    H    GLY  80           HN       GLY  80   9.672   1.682  -4.736
  591    HA2  GLY  80           HA2      GLY  80  12.024   2.136  -6.269
  592    HA3  GLY  80           HA1      GLY  80  10.491   2.987  -6.453
  593    H    ALA  81           HN       ALA  81  10.220   4.101  -3.951
  594    HA   ALA  81           HA       ALA  81  11.994   6.354  -4.118
  595    HB1  ALA  81           HB1      ALA  81   9.932   5.647  -2.024
  596    HB2  ALA  81           HB2      ALA  81   9.649   6.632  -3.461
  597    HB3  ALA  81           HB3      ALA  81  10.734   7.205  -2.197
  598    H    LEU  82           HN       LEU  82  11.645   3.546  -2.076
  599    HA   LEU  82           HA       LEU  82  13.353   4.228  -0.002
  600    HB2  LEU  82           HB2      LEU  82  11.676   2.502   0.122
  601    HB3  LEU  82           HB1      LEU  82  12.469   1.579  -1.131
  602    HG   LEU  82           HG       LEU  82  14.365   1.274   0.338
  603   HD11  LEU  82          HD11      LEU  82  14.088   3.192   1.834
  604   HD12  LEU  82          HD12      LEU  82  14.081   1.697   2.780
  605   HD13  LEU  82          HD13      LEU  82  12.568   2.527   2.431
  606   HD21  LEU  82          HD21      LEU  82  12.702  -0.438   0.118
  607   HD22  LEU  82          HD22      LEU  82  11.708   0.312   1.365
  608   HD23  LEU  82          HD23      LEU  82  13.263  -0.406   1.789
  609    H    ALA  83           HN       ALA  83  13.948   2.947  -3.210
  610    HA   ALA  83           HA       ALA  83  16.545   1.952  -2.752
  611    HB1  ALA  83           HB1      ALA  83  16.799   1.979  -5.174
  612    HB2  ALA  83           HB2      ALA  83  15.349   2.972  -5.317
  613    HB3  ALA  83           HB3      ALA  83  15.228   1.318  -4.713
  614    H    GLU  84           HN       GLU  84  15.376   5.183  -3.730
  615    HA   GLU  84           HA       GLU  84  18.034   6.162  -3.970
  616    HB2  GLU  84           HB2      GLU  84  15.318   7.325  -4.176
  617    HB3  GLU  84           HB1      GLU  84  16.650   8.411  -3.842
  618    HG2  GLU  84           HG2      GLU  84  16.280   8.424  -6.185
  619    HG3  GLU  84           HG1      GLU  84  17.771   7.544  -5.895
  620    H    ALA  85           HN       ALA  85  15.851   5.726  -1.400
  621    HA   ALA  85           HA       ALA  85  17.134   7.688   0.310
  622    HB1  ALA  85           HB1      ALA  85  14.707   7.350   0.447
  623    HB2  ALA  85           HB2      ALA  85  15.496   7.008   1.986
  624    HB3  ALA  85           HB3      ALA  85  14.966   5.678   0.950
  625    H    ALA  86           HN       ALA  86  17.763   4.598  -0.656
  626    HA   ALA  86           HA       ALA  86  18.684   3.426   1.767
  627    HB1  ALA  86           HB1      ALA  86  17.975   2.057  -0.122
  628    HB2  ALA  86           HB2      ALA  86  19.652   1.698   0.319
  629    HB3  ALA  86           HB3      ALA  86  19.299   2.692  -1.096
  630   H28A  SDO 101          H28A      SDO  42 -12.249  11.391  -0.164
  631   H28B  SDO 101          H28B      SDO  42 -10.678  10.588  -0.125
  632   H30A  SDO 101          H30A      SDO  42  -9.697  12.494   0.975
  633   H30B  SDO 101          H30B      SDO  42 -11.255  13.320   0.958
  634   H30C  SDO 101          H30C      SDO  42  -9.832  14.119   0.298
  635   H31A  SDO 101          H31A      SDO  42  -9.526  11.890  -2.649
  636   H31B  SDO 101          H31B      SDO  42  -8.677  11.710  -1.112
  637   H31C  SDO 101          H31C      SDO  42  -8.833  13.302  -1.846
  638   H32A  SDO 101          H32A      SDO  42 -11.948  12.993  -2.630
  639   H33A  SDO 101          H33A      SDO  42 -10.609  14.428  -3.214
  640   H36A  SDO 101          H36A      SDO  42 -12.168  15.806  -1.538
  641   H37A  SDO 101          H37A      SDO  42 -14.534  16.548  -1.042
  642   H37B  SDO 101          H37B      SDO  42 -14.399  15.525   0.397
  643   H38A  SDO 101          H38A      SDO  42 -12.610  17.895  -0.233
  644   H38B  SDO 101          H38B      SDO  42 -14.010  17.954   0.817
  645   H41A  SDO 101          H41A      SDO  42 -10.723  17.336   0.649
  646   H42A  SDO 101          H42A      SDO  42 -10.236  17.174   3.400
  647   H42B  SDO 101          H42B      SDO  42 -10.269  15.543   2.743
  648   H43A  SDO 101          H43A      SDO  42  -8.440  17.750   1.894
  649   H43B  SDO 101          H43B      SDO  42  -8.680  16.275   1.015
  650    H1A  SDO 101           H1A      SDO  42  -7.466  13.892   4.242
  651    H1B  SDO 101           H1B      SDO  42  -7.261  15.346   5.189
  652    H2A  SDO 101           H2A      SDO  42  -9.835  14.490   3.931
  653    H2B  SDO 101           H2B      SDO  42  -9.580  15.876   4.965
  654    H4A  SDO 101           H4A      SDO  42  -9.152  12.183   7.042
  655    H4B  SDO 101           H4B      SDO  42  -8.879  13.590   8.027
  656    H5A  SDO 101           H5A      SDO  42  -6.842  14.117   6.846
  657    H5B  SDO 101           H5B      SDO  42  -7.083  12.731   5.780
  658    H6A  SDO 101           H6A      SDO  42  -7.042  11.242   7.762
  659    H6B  SDO 101           H6B      SDO  42  -6.724  12.628   8.784
  660    H8A  SDO 101           H8A      SDO  42  -4.893  12.482   5.523
  661    H8B  SDO 101           H8B      SDO  42  -3.345  12.437   6.388
  662    H8C  SDO 101           H8C      SDO  42  -4.437  13.812   6.598
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  19.668  -3.140  -1.990
    2    H2   MET   1           HT2      MET   1  19.277  -1.681  -2.748
    3    H3   MET   1           HT3      MET   1  18.499  -2.118  -1.303
    4    HA   MET   1           HA       MET   1  21.377  -1.588  -1.705
    5    HB2  MET   1           HB2      MET   1  21.115   0.489  -0.556
    6    HB3  MET   1           HB1      MET   1  19.861   0.424  -1.775
    7    HG2  MET   1           HG2      MET   1  19.514  -0.081   1.168
    8    HG3  MET   1           HG1      MET   1  19.032   1.362   0.300
    9    HE1  MET   1           HE1      MET   1  16.633   1.151   1.411
   10    HE2  MET   1           HE2      MET   1  17.174  -0.302   2.244
   11    HE3  MET   1           HE3      MET   1  15.652  -0.310   1.348
   12    H    ALA   2           HN       ALA   2  18.856  -2.890   0.440
   13    HA   ALA   2           HA       ALA   2  20.835  -4.067   2.113
   14    HB1  ALA   2           HB1      ALA   2  20.896  -1.826   3.082
   15    HB2  ALA   2           HB2      ALA   2  20.200  -2.972   4.220
   16    HB3  ALA   2           HB3      ALA   2  19.152  -1.869   3.325
   17    H    THR   3           HN       THR   3  17.471  -2.890   2.448
   18    HA   THR   3           HA       THR   3  16.577  -5.625   2.483
   19    HB   THR   3           HB       THR   3  17.002  -5.088   4.858
   20    HG1  THR   3           HG1      THR   3  15.429  -6.352   4.992
   21   HG21  THR   3          HG21      THR   3  16.757  -2.652   4.825
   22   HG22  THR   3          HG22      THR   3  15.714  -3.359   6.050
   23   HG23  THR   3          HG23      THR   3  15.026  -2.821   4.507
   24    H    LEU   4           HN       LEU   4  14.683  -5.784   1.358
   25    HA   LEU   4           HA       LEU   4  13.406  -3.255   0.608
   26    HB2  LEU   4           HB2      LEU   4  14.785  -4.411  -1.168
   27    HB3  LEU   4           HB1      LEU   4  13.643  -5.741  -1.085
   28    HG   LEU   4           HG       LEU   4  11.845  -4.142  -1.745
   29   HD11  LEU   4          HD11      LEU   4  12.927  -2.090  -0.997
   30   HD12  LEU   4          HD12      LEU   4  12.518  -1.988  -2.712
   31   HD13  LEU   4          HD13      LEU   4  14.184  -2.289  -2.219
   32   HD21  LEU   4          HD21      LEU   4  12.923  -5.613  -3.389
   33   HD22  LEU   4          HD22      LEU   4  14.170  -4.394  -3.663
   34   HD23  LEU   4          HD23      LEU   4  12.495  -4.059  -4.101
   35    H    LEU   5           HN       LEU   5  11.286  -3.179   1.071
   36    HA   LEU   5           HA       LEU   5   9.987  -5.106   2.590
   37    HB2  LEU   5           HB2      LEU   5   8.981  -2.705   1.145
   38    HB3  LEU   5           HB1      LEU   5   7.818  -3.850   1.763
   39    HG   LEU   5           HG       LEU   5   8.806  -3.525   4.042
   40   HD11  LEU   5          HD11      LEU   5  11.001  -2.714   3.401
   41   HD12  LEU   5          HD12      LEU   5  10.180  -1.582   4.474
   42   HD13  LEU   5          HD13      LEU   5  10.267  -1.258   2.735
   43   HD21  LEU   5          HD21      LEU   5   7.740  -1.378   4.416
   44   HD22  LEU   5          HD22      LEU   5   6.778  -2.412   3.356
   45   HD23  LEU   5          HD23      LEU   5   7.718  -1.079   2.679
   46    H    THR   6           HN       THR   6   8.575  -6.615   2.320
   47    HA   THR   6           HA       THR   6   8.364  -7.732  -0.350
   48    HB   THR   6           HB       THR   6   7.765  -9.837   0.817
   49    HG1  THR   6           HG1      THR   6   8.188  -8.246   3.164
   50   HG21  THR   6          HG21      THR   6   9.974 -10.295   1.812
   51   HG22  THR   6          HG22      THR   6  10.308  -8.557   1.824
   52   HG23  THR   6          HG23      THR   6  10.117  -9.406   0.294
   53    H    THR   7           HN       THR   7   6.200  -9.315  -0.150
   54    HA   THR   7           HA       THR   7   4.027  -7.491  -0.397
   55    HB   THR   7           HB       THR   7   4.038 -10.523  -0.372
   56    HG1  THR   7           HG1      THR   7   5.294  -8.822  -2.030
   57   HG21  THR   7          HG21      THR   7   2.224  -8.520  -1.750
   58   HG22  THR   7          HG22      THR   7   1.774  -9.501  -0.347
   59   HG23  THR   7          HG23      THR   7   2.118 -10.265  -1.900
   60    H    ASP   8           HN       ASP   8   5.223  -9.816   1.943
   61    HA   ASP   8           HA       ASP   8   3.008  -9.966   3.668
   62    HB2  ASP   8           HB2      ASP   8   4.985 -11.498   3.681
   63    HB3  ASP   8           HB1      ASP   8   5.933 -10.220   4.425
   64    H    ASP   9           HN       ASP   9   5.794  -7.823   3.531
   65    HA   ASP   9           HA       ASP   9   5.419  -6.317   5.854
   66    HB2  ASP   9           HB2      ASP   9   6.540  -5.471   3.182
   67    HB3  ASP   9           HB1      ASP   9   6.524  -4.416   4.584
   68    H    LEU  10           HN       LEU  10   4.168  -5.783   2.618
   69    HA   LEU  10           HA       LEU  10   2.755  -3.439   3.237
   70    HB2  LEU  10           HB2      LEU  10   3.288  -4.073   0.942
   71    HB3  LEU  10           HB1      LEU  10   2.190  -5.433   1.053
   72    HG   LEU  10           HG       LEU  10   0.301  -3.856   1.392
   73   HD11  LEU  10          HD11      LEU  10   1.554  -2.007   2.352
   74   HD12  LEU  10          HD12      LEU  10   0.598  -1.496   0.963
   75   HD13  LEU  10          HD13      LEU  10   2.339  -1.729   0.799
   76   HD21  LEU  10          HD21      LEU  10   0.814  -4.700  -0.839
   77   HD22  LEU  10          HD22      LEU  10   1.932  -3.359  -1.093
   78   HD23  LEU  10          HD23      LEU  10   0.207  -3.047  -0.914
   79    H    ARG  11           HN       ARG  11   1.781  -6.851   3.240
   80    HA   ARG  11           HA       ARG  11  -0.934  -6.580   3.726
   81    HB2  ARG  11           HB2      ARG  11   0.069  -8.777   3.337
   82    HB3  ARG  11           HB1      ARG  11   0.956  -8.668   4.850
   83    HG2  ARG  11           HG2      ARG  11  -1.128  -8.755   6.102
   84    HG3  ARG  11           HG1      ARG  11  -2.060  -8.768   4.618
   85    HD2  ARG  11           HD2      ARG  11  -1.873 -11.001   5.613
   86    HD3  ARG  11           HD1      ARG  11  -1.128 -10.941   4.019
   87    HE   ARG  11           HE       ARG  11   1.033 -10.782   5.210
   88   HH11  ARG  11          HH11      ARG  11  -1.712 -12.094   7.070
   89   HH12  ARG  11          HH12      ARG  11  -0.731 -13.157   7.984
   90   HH21  ARG  11          HH21      ARG  11   2.340 -12.274   6.486
   91   HH22  ARG  11          HH22      ARG  11   1.583 -13.217   7.674
   92    H    ARG  12           HN       ARG  12   1.708  -6.472   6.013
   93    HA   ARG  12           HA       ARG  12   0.129  -6.302   8.341
   94    HB2  ARG  12           HB2      ARG  12   2.976  -5.426   7.845
   95    HB3  ARG  12           HB1      ARG  12   2.217  -5.488   9.436
   96    HG2  ARG  12           HG2      ARG  12   1.861  -7.899   9.159
   97    HG3  ARG  12           HG1      ARG  12   2.645  -7.824   7.582
   98    HD2  ARG  12           HD2      ARG  12   3.943  -7.057  10.188
   99    HD3  ARG  12           HD1      ARG  12   4.090  -8.638   9.442
  100    HE   ARG  12           HE       ARG  12   4.959  -6.253   7.981
  101   HH11  ARG  12          HH11      ARG  12   5.651  -9.437   9.389
  102   HH12  ARG  12          HH12      ARG  12   7.293  -9.457   8.902
  103   HH21  ARG  12          HH21      ARG  12   7.336  -6.333   7.257
  104   HH22  ARG  12          HH22      ARG  12   8.181  -7.701   7.742
  105    H    ALA  13           HN       ALA  13   1.635  -3.743   6.385
  106    HA   ALA  13           HA       ALA  13   0.655  -1.661   8.097
  107    HB1  ALA  13           HB1      ALA  13   2.678  -1.399   6.757
  108    HB2  ALA  13           HB2      ALA  13   1.489  -0.134   6.416
  109    HB3  ALA  13           HB3      ALA  13   1.702  -1.471   5.291
  110    H    LEU  14           HN       LEU  14  -0.516  -3.214   5.170
  111    HA   LEU  14           HA       LEU  14  -2.514  -1.393   4.493
  112    HB2  LEU  14           HB2      LEU  14  -1.601  -3.343   3.152
  113    HB3  LEU  14           HB1      LEU  14  -2.570  -4.397   4.151
  114    HG   LEU  14           HG       LEU  14  -4.591  -3.229   3.331
  115   HD11  LEU  14          HD11      LEU  14  -2.648  -1.907   1.454
  116   HD12  LEU  14          HD12      LEU  14  -3.570  -1.106   2.729
  117   HD13  LEU  14          HD13      LEU  14  -4.407  -1.806   1.345
  118   HD21  LEU  14          HD21      LEU  14  -3.888  -5.310   2.319
  119   HD22  LEU  14          HD22      LEU  14  -2.806  -4.436   1.229
  120   HD23  LEU  14          HD23      LEU  14  -4.551  -4.231   1.091
  121    H    VAL  15           HN       VAL  15  -2.467  -4.189   6.677
  122    HA   VAL  15           HA       VAL  15  -5.168  -4.158   7.450
  123    HB   VAL  15           HB       VAL  15  -2.734  -5.159   8.986
  124   HG11  VAL  15          HG11      VAL  15  -4.295  -6.401  10.426
  125   HG12  VAL  15          HG12      VAL  15  -5.655  -5.638   9.611
  126   HG13  VAL  15          HG13      VAL  15  -4.542  -4.662  10.575
  127   HG21  VAL  15          HG21      VAL  15  -3.202  -6.358   6.917
  128   HG22  VAL  15          HG22      VAL  15  -4.872  -6.612   7.432
  129   HG23  VAL  15          HG23      VAL  15  -3.553  -7.373   8.318
  130    H    GLU  16           HN       GLU  16  -2.394  -2.357   8.687
  131    HA   GLU  16           HA       GLU  16  -3.647  -1.303  10.968
  132    HB2  GLU  16           HB2      GLU  16  -1.467   0.022   9.324
  133    HB3  GLU  16           HB1      GLU  16  -1.888   0.401  10.983
  134    HG2  GLU  16           HG2      GLU  16  -1.252  -1.979  11.558
  135    HG3  GLU  16           HG1      GLU  16  -0.596  -2.105   9.932
  136    H    SER  17           HN       SER  17  -3.703  -0.289   7.636
  137    HA   SER  17           HA       SER  17  -5.254   2.078   8.268
  138    HB2  SER  17           HB2      SER  17  -5.167   2.359   5.729
  139    HB3  SER  17           HB1      SER  17  -3.644   2.475   6.612
  140    HG   SER  17           HG       SER  17  -4.368  -0.071   5.693
  141    H    ALA  18           HN       ALA  18  -6.071  -1.032   8.129
  142    HA   ALA  18           HA       ALA  18  -8.473  -0.728   6.515
  143    HB1  ALA  18           HB1      ALA  18  -7.489  -3.097   8.115
  144    HB2  ALA  18           HB2      ALA  18  -7.253  -2.852   6.382
  145    HB3  ALA  18           HB3      ALA  18  -8.877  -3.099   7.019
  146    H    GLY  19           HN       GLY  19  -7.548  -1.427   9.849
  147    HA2  GLY  19           HA2      GLY  19  -8.586  -0.246  11.636
  148    HA3  GLY  19           HA1      GLY  19 -10.050  -0.153  10.675
  149    H    GLU  20           HN       GLU  20 -11.598  -1.496  11.230
  150    HA   GLU  20           HA       GLU  20 -10.876  -4.027  12.494
  151    HB2  GLU  20           HB2      GLU  20 -12.648  -3.707  14.192
  152    HB3  GLU  20           HB1      GLU  20 -11.337  -2.562  14.346
  153    HG2  GLU  20           HG2      GLU  20 -13.977  -1.933  13.042
  154    HG3  GLU  20           HG1      GLU  20 -13.618  -1.615  14.735
  155    H    THR  21           HN       THR  21 -12.164  -2.914   9.905
  156    HA   THR  21           HA       THR  21 -14.718  -4.188   9.860
  157    HB   THR  21           HB       THR  21 -14.206  -2.273   8.364
  158    HG1  THR  21           HG1      THR  21 -14.725  -3.678   6.252
  159   HG21  THR  21          HG21      THR  21 -11.860  -2.725   7.877
  160   HG22  THR  21          HG22      THR  21 -12.768  -2.573   6.370
  161   HG23  THR  21          HG23      THR  21 -12.295  -4.168   6.965
  162    H    ASP  22           HN       ASP  22 -14.742  -5.713   7.562
  163    HA   ASP  22           HA       ASP  22 -13.477  -8.066   8.516
  164    HB2  ASP  22           HB2      ASP  22 -14.557  -9.122   6.471
  165    HB3  ASP  22           HB1      ASP  22 -15.654  -8.472   7.680
  166    H    GLY  23           HN       GLY  23 -11.636  -8.782   8.032
  167    HA2  GLY  23           HA2      GLY  23  -9.824  -7.221   6.501
  168    HA3  GLY  23           HA1      GLY  23  -9.473  -8.727   7.318
  169    H    THR  24           HN       THR  24 -11.974  -9.416   5.388
  170    HA   THR  24           HA       THR  24 -12.278 -10.660   3.541
  171    HB   THR  24           HB       THR  24 -12.119  -8.291   2.598
  172    HG1  THR  24           HG1      THR  24 -12.841  -9.307   1.023
  173   HG21  THR  24          HG21      THR  24  -9.708  -7.892   2.814
  174   HG22  THR  24          HG22      THR  24 -10.213  -7.725   1.125
  175   HG23  THR  24          HG23      THR  24  -9.377  -9.183   1.662
  176    H    ASP  25           HN       ASP  25 -10.566 -11.143   1.329
  177    HA   ASP  25           HA       ASP  25  -8.931 -13.250   2.527
  178    HB2  ASP  25           HB2      ASP  25  -9.528 -12.688  -0.397
  179    HB3  ASP  25           HB1      ASP  25  -8.576 -14.048   0.190
  180    H    LEU  26           HN       LEU  26  -7.896 -11.019   3.269
  181    HA   LEU  26           HA       LEU  26  -5.886 -10.002   1.457
  182    HB2  LEU  26           HB2      LEU  26  -7.138  -8.934   3.574
  183    HB3  LEU  26           HB1      LEU  26  -5.738  -9.578   4.403
  184    HG   LEU  26           HG       LEU  26  -4.300  -8.272   2.828
  185   HD11  LEU  26          HD11      LEU  26  -5.882  -8.041   1.012
  186   HD12  LEU  26          HD12      LEU  26  -5.394  -6.447   1.574
  187   HD13  LEU  26          HD13      LEU  26  -6.968  -7.113   2.041
  188   HD21  LEU  26          HD21      LEU  26  -6.289  -6.710   4.475
  189   HD22  LEU  26          HD22      LEU  26  -4.701  -6.136   3.952
  190   HD23  LEU  26          HD23      LEU  26  -4.825  -7.474   5.098
  191    H    SER  27           HN       SER  27  -6.292 -12.505   3.660
  192    HA   SER  27           HA       SER  27  -3.453 -13.151   3.826
  193    HB2  SER  27           HB2      SER  27  -5.798 -14.481   5.169
  194    HB3  SER  27           HB1      SER  27  -4.093 -14.553   5.639
  195    HG   SER  27           HG       SER  27  -5.906 -13.009   6.562
  196    H    GLY  28           HN       GLY  28  -2.872 -14.485   2.165
  197    HA2  GLY  28           HA2      GLY  28  -3.185 -16.800   1.340
  198    HA3  GLY  28           HA1      GLY  28  -4.903 -16.421   1.261
  199    H    ASP  29           HN       ASP  29  -2.150 -14.513   0.343
  200    HA   ASP  29           HA       ASP  29  -1.352 -13.678  -1.538
  201    HB2  ASP  29           HB2      ASP  29  -1.314 -15.817  -2.610
  202    HB3  ASP  29           HB1      ASP  29  -3.038 -15.760  -2.941
  203    H    PHE  30           HN       PHE  30  -1.720 -11.737  -2.018
  204    HA   PHE  30           HA       PHE  30  -4.309 -10.953  -3.137
  205    HB2  PHE  30           HB2      PHE  30  -4.656  -9.165  -1.559
  206    HB3  PHE  30           HB1      PHE  30  -4.400 -10.630  -0.630
  207    HD1  PHE  30           HD2      PHE  30  -1.911 -11.041   0.136
  208    HD2  PHE  30           HD1      PHE  30  -3.486  -7.233  -0.951
  209    HE1  PHE  30           HE2      PHE  30  -0.140  -9.945   1.422
  210    HE2  PHE  30           HE1      PHE  30  -1.705  -6.135   0.324
  211    HZ   PHE  30           HZ       PHE  30  -0.038  -7.422   1.472
  212    H    LEU  31           HN       LEU  31  -1.239 -11.127  -3.703
  213    HA   LEU  31           HA       LEU  31  -0.227  -8.492  -3.901
  214    HB2  LEU  31           HB2      LEU  31   1.204 -10.489  -3.830
  215    HB3  LEU  31           HB1      LEU  31   0.647 -10.952  -5.424
  216    HG   LEU  31           HG       LEU  31   1.678  -8.905  -6.354
  217   HD11  LEU  31          HD11      LEU  31   1.555  -7.507  -4.370
  218   HD12  LEU  31          HD12      LEU  31   3.214  -7.599  -4.969
  219   HD13  LEU  31          HD13      LEU  31   2.737  -8.541  -3.555
  220   HD21  LEU  31          HD21      LEU  31   4.011  -9.643  -6.100
  221   HD22  LEU  31          HD22      LEU  31   2.922 -10.999  -6.364
  222   HD23  LEU  31          HD23      LEU  31   3.536 -10.663  -4.744
  223    H    ASP  32           HN       ASP  32  -1.895 -10.558  -6.216
  224    HA   ASP  32           HA       ASP  32  -1.846  -8.359  -8.140
  225    HB2  ASP  32           HB2      ASP  32  -2.363 -11.306  -8.513
  226    HB3  ASP  32           HB1      ASP  32  -2.582 -10.098  -9.775
  227    H    LEU  33           HN       LEU  33  -3.640  -9.162  -5.722
  228    HA   LEU  33           HA       LEU  33  -6.228  -9.280  -6.988
  229    HB2  LEU  33           HB2      LEU  33  -5.720 -10.361  -4.764
  230    HB3  LEU  33           HB1      LEU  33  -5.506  -8.762  -4.087
  231    HG   LEU  33           HG       LEU  33  -7.877  -8.269  -4.491
  232   HD11  LEU  33          HD11      LEU  33  -8.010 -11.119  -5.482
  233   HD12  LEU  33          HD12      LEU  33  -8.223  -9.665  -6.462
  234   HD13  LEU  33          HD13      LEU  33  -9.397 -10.060  -5.208
  235   HD21  LEU  33          HD21      LEU  33  -7.405 -10.869  -3.038
  236   HD22  LEU  33          HD22      LEU  33  -8.790  -9.800  -2.815
  237   HD23  LEU  33          HD23      LEU  33  -7.177  -9.257  -2.366
  238    H    ARG  34           HN       ARG  34  -7.795  -7.421  -6.488
  239    HA   ARG  34           HA       ARG  34  -6.216  -5.002  -7.016
  240    HB2  ARG  34           HB2      ARG  34  -9.071  -5.656  -7.761
  241    HB3  ARG  34           HB1      ARG  34  -8.341  -4.083  -7.989
  242    HG2  ARG  34           HG2      ARG  34  -8.395  -5.259 -10.089
  243    HG3  ARG  34           HG1      ARG  34  -6.725  -5.095  -9.570
  244    HD2  ARG  34           HD2      ARG  34  -7.191  -7.315 -10.528
  245    HD3  ARG  34           HD1      ARG  34  -6.716  -7.429  -8.839
  246    HE   ARG  34           HE       ARG  34  -9.412  -7.336  -8.681
  247   HH11  ARG  34          HH11      ARG  34  -7.202  -9.505 -10.511
  248   HH12  ARG  34          HH12      ARG  34  -8.355 -10.760 -10.505
  249   HH21  ARG  34          HH21      ARG  34 -10.860  -9.075  -8.721
  250   HH22  ARG  34          HH22      ARG  34 -10.442 -10.539  -9.470
  251    H    PHE  35           HN       PHE  35  -6.664  -3.075  -5.986
  252    HA   PHE  35           HA       PHE  35  -7.651  -3.212  -3.343
  253    HB2  PHE  35           HB2      PHE  35  -7.162  -0.838  -5.146
  254    HB3  PHE  35           HB1      PHE  35  -7.748  -0.656  -3.499
  255    HD1  PHE  35           HD2      PHE  35  -6.265  -1.565  -1.630
  256    HD2  PHE  35           HD1      PHE  35  -4.921  -1.042  -5.622
  257    HE1  PHE  35           HE2      PHE  35  -3.930  -1.630  -0.845
  258    HE2  PHE  35           HE1      PHE  35  -2.579  -1.114  -4.850
  259    HZ   PHE  35           HZ       PHE  35  -2.109  -1.286  -2.392
  260    H    GLU  36           HN       GLU  36  -9.129  -2.695  -6.353
  261    HA   GLU  36           HA       GLU  36 -11.588  -1.539  -5.695
  262    HB2  GLU  36           HB2      GLU  36 -11.198  -3.650  -7.818
  263    HB3  GLU  36           HB1      GLU  36 -12.368  -2.345  -7.790
  264    HG2  GLU  36           HG2      GLU  36  -9.399  -2.093  -8.180
  265    HG3  GLU  36           HG1      GLU  36 -10.647  -1.892  -9.407
  266    H    ASP  37           HN       ASP  37 -10.397  -4.830  -5.515
  267    HA   ASP  37           HA       ASP  37 -12.980  -6.021  -5.012
  268    HB2  ASP  37           HB2      ASP  37 -10.178  -7.134  -4.953
  269    HB3  ASP  37           HB1      ASP  37 -11.599  -8.088  -4.550
  270    H    ILE  38           HN       ILE  38 -10.207  -4.978  -3.188
  271    HA   ILE  38           HA       ILE  38 -11.285  -6.199  -0.808
  272    HB   ILE  38           HB       ILE  38  -9.191  -5.505   0.334
  273   HG12  ILE  38          HG12      ILE  38  -8.412  -4.499  -2.418
  274   HG13  ILE  38          HG11      ILE  38  -8.713  -3.480  -1.016
  275   HG21  ILE  38          HG21      ILE  38  -7.727  -7.055  -0.895
  276   HG22  ILE  38          HG22      ILE  38  -8.816  -6.984  -2.272
  277   HG23  ILE  38          HG23      ILE  38  -9.368  -7.684  -0.748
  278   HD11  ILE  38          HD11      ILE  38  -6.798  -4.502   0.118
  279   HD12  ILE  38          HD12      ILE  38  -6.334  -3.745  -1.410
  280   HD13  ILE  38          HD13      ILE  38  -6.489  -5.499  -1.304
  281    H    GLY  39           HN       GLY  39 -12.207  -3.670  -2.250
  282    HA2  GLY  39           HA2      GLY  39 -13.530  -1.883  -1.694
  283    HA3  GLY  39           HA1      GLY  39 -13.733  -2.686  -0.153
  284    H    TYR  40           HN       TYR  40 -10.705  -1.370  -1.375
  285    HA   TYR  40           HA       TYR  40 -10.546   0.220   1.028
  286    HB2  TYR  40           HB2      TYR  40  -8.587  -0.530  -1.060
  287    HB3  TYR  40           HB1      TYR  40  -8.307   0.984  -0.206
  288    HD1  TYR  40           HD2      TYR  40  -9.167  -2.571   0.544
  289    HD2  TYR  40           HD1      TYR  40  -7.047   0.915   1.722
  290    HE1  TYR  40           HE2      TYR  40  -8.196  -3.812   2.425
  291    HE2  TYR  40           HE1      TYR  40  -6.072  -0.300   3.612
  292    HH   TYR  40           HH       TYR  40  -6.436  -2.262   4.955
  293    H    ASP  41           HN       ASP  41 -10.443   2.360   1.232
  294    HA   ASP  41           HA       ASP  41 -11.688   3.900  -0.908
  295    HB2  ASP  41           HB2      ASP  41 -12.382   4.092   1.612
  296    HB3  ASP  41           HB1      ASP  41 -10.790   4.858   1.774
  297    H    SER  42           HN       SER  42 -10.689   6.177  -0.951
  298    HA   SER  42           HA       SER  42  -8.024   5.878  -1.961
  299    HB2  SER  42           HB2      SER  42  -9.731   7.291  -3.075
  300    HB3  SER  42           HB1      SER  42  -9.738   8.349  -1.664
  301    H    LEU  43           HN       LEU  43  -9.678   7.463   0.743
  302    HA   LEU  43           HA       LEU  43  -7.421   8.786   1.813
  303    HB2  LEU  43           HB2      LEU  43  -9.905   7.792   3.218
  304    HB3  LEU  43           HB1      LEU  43  -8.728   8.887   3.916
  305    HG   LEU  43           HG       LEU  43 -10.516   9.472   1.552
  306   HD11  LEU  43          HD11      LEU  43 -11.701   9.392   3.682
  307   HD12  LEU  43          HD12      LEU  43 -11.602  11.044   3.069
  308   HD13  LEU  43          HD13      LEU  43 -10.537  10.523   4.374
  309   HD21  LEU  43          HD21      LEU  43  -8.324  10.584   1.402
  310   HD22  LEU  43          HD22      LEU  43  -8.575  11.274   3.009
  311   HD23  LEU  43          HD23      LEU  43  -9.633  11.733   1.671
  312    H    ALA  44           HN       ALA  44  -8.866   5.683   2.306
  313    HA   ALA  44           HA       ALA  44  -7.287   4.741   4.411
  314    HB1  ALA  44           HB1      ALA  44  -8.031   2.513   3.753
  315    HB2  ALA  44           HB2      ALA  44  -8.583   3.141   2.201
  316    HB3  ALA  44           HB3      ALA  44  -9.368   3.658   3.691
  317    H    LEU  45           HN       LEU  45  -6.785   4.638   0.886
  318    HA   LEU  45           HA       LEU  45  -4.427   3.082   1.076
  319    HB2  LEU  45           HB2      LEU  45  -5.883   3.179  -0.889
  320    HB3  LEU  45           HB1      LEU  45  -5.382   4.829  -1.168
  321    HG   LEU  45           HG       LEU  45  -3.422   4.179  -2.213
  322   HD11  LEU  45          HD11      LEU  45  -3.382   1.646  -0.522
  323   HD12  LEU  45          HD12      LEU  45  -2.475   3.119  -0.145
  324   HD13  LEU  45          HD13      LEU  45  -2.120   2.225  -1.620
  325   HD21  LEU  45          HD21      LEU  45  -4.968   1.718  -2.098
  326   HD22  LEU  45          HD22      LEU  45  -3.752   2.076  -3.345
  327   HD23  LEU  45          HD23      LEU  45  -5.279   3.008  -3.269
  328    H    MET  46           HN       MET  46  -5.097   6.554   1.091
  329    HA   MET  46           HA       MET  46  -2.434   7.560   0.835
  330    HB2  MET  46           HB2      MET  46  -4.381   8.721   2.832
  331    HB3  MET  46           HB1      MET  46  -3.125   9.548   1.933
  332    HG2  MET  46           HG2      MET  46  -4.505   9.073  -0.112
  333    HG3  MET  46           HG1      MET  46  -5.707   8.499   1.048
  334    HE1  MET  46           HE1      MET  46  -3.263  11.527   1.673
  335    HE2  MET  46           HE2      MET  46  -4.224  12.893   1.099
  336    HE3  MET  46           HE3      MET  46  -3.628  11.688  -0.047
  337    H    GLU  47           HN       GLU  47  -4.412   6.663   3.498
  338    HA   GLU  47           HA       GLU  47  -2.644   6.968   5.598
  339    HB2  GLU  47           HB2      GLU  47  -5.174   5.767   4.954
  340    HB3  GLU  47           HB1      GLU  47  -4.577   5.287   6.575
  341    HG2  GLU  47           HG2      GLU  47  -4.423   7.813   6.948
  342    HG3  GLU  47           HG1      GLU  47  -5.240   8.007   5.404
  343    H    THR  48           HN       THR  48  -3.332   4.090   3.607
  344    HA   THR  48           HA       THR  48  -1.675   2.213   4.838
  345    HB   THR  48           HB       THR  48  -2.144   2.686   1.874
  346    HG1  THR  48           HG1      THR  48  -3.624   1.396   3.882
  347   HG21  THR  48          HG21      THR  48  -0.228   1.158   2.379
  348   HG22  THR  48          HG22      THR  48  -1.556   0.393   1.518
  349   HG23  THR  48          HG23      THR  48  -1.354   0.104   3.252
  350    H    ALA  49           HN       ALA  49  -0.955   4.370   2.109
  351    HA   ALA  49           HA       ALA  49   1.743   3.797   1.858
  352    HB1  ALA  49           HB1      ALA  49   1.881   5.802   0.492
  353    HB2  ALA  49           HB2      ALA  49   0.329   6.351   1.122
  354    HB3  ALA  49           HB3      ALA  49   0.410   4.898   0.119
  355    H    ALA  50           HN       ALA  50   0.132   6.443   3.606
  356    HA   ALA  50           HA       ALA  50   2.321   7.944   4.404
  357    HB1  ALA  50           HB1      ALA  50   0.901   8.835   6.161
  358    HB2  ALA  50           HB2      ALA  50  -0.216   7.490   5.962
  359    HB3  ALA  50           HB3      ALA  50  -0.002   8.660   4.658
  360    H    ARG  51           HN       ARG  51   0.937   5.122   5.912
  361    HA   ARG  51           HA       ARG  51   2.488   5.250   8.228
  362    HB2  ARG  51           HB2      ARG  51   0.479   3.935   8.228
  363    HB3  ARG  51           HB1      ARG  51   1.037   2.977   6.878
  364    HG2  ARG  51           HG2      ARG  51   1.047   1.692   8.941
  365    HG3  ARG  51           HG1      ARG  51   2.681   1.891   8.324
  366    HD2  ARG  51           HD2      ARG  51   3.238   3.417  10.032
  367    HD3  ARG  51           HD1      ARG  51   1.556   3.704  10.473
  368    HE   ARG  51           HE       ARG  51   1.877   1.057  10.861
  369   HH11  ARG  51          HH11      ARG  51   3.936   3.727  11.965
  370   HH12  ARG  51          HH12      ARG  51   4.120   3.118  13.548
  371   HH21  ARG  51          HH21      ARG  51   2.030   0.276  12.998
  372   HH22  ARG  51          HH22      ARG  51   2.988   1.068  14.183
  373    H    LEU  52           HN       LEU  52   2.892   3.570   5.181
  374    HA   LEU  52           HA       LEU  52   5.358   2.320   5.819
  375    HB2  LEU  52           HB2      LEU  52   4.181   3.109   3.148
  376    HB3  LEU  52           HB1      LEU  52   5.584   2.087   3.345
  377    HG   LEU  52           HG       LEU  52   2.787   1.364   4.295
  378   HD11  LEU  52          HD11      LEU  52   4.360   0.405   1.930
  379   HD12  LEU  52          HD12      LEU  52   2.920   1.417   1.886
  380   HD13  LEU  52          HD13      LEU  52   2.822  -0.237   2.489
  381   HD21  LEU  52          HD21      LEU  52   5.338  -0.252   4.163
  382   HD22  LEU  52          HD22      LEU  52   3.754  -0.824   4.682
  383   HD23  LEU  52          HD23      LEU  52   4.612   0.383   5.639
  384    H    GLU  53           HN       GLU  53   4.448   5.377   4.352
  385    HA   GLU  53           HA       GLU  53   6.949   6.326   3.599
  386    HB2  GLU  53           HB2      GLU  53   4.500   7.896   4.446
  387    HB3  GLU  53           HB1      GLU  53   5.915   8.589   3.676
  388    HG2  GLU  53           HG2      GLU  53   5.507   7.244   1.684
  389    HG3  GLU  53           HG1      GLU  53   4.096   6.522   2.448
  390    H    SER  54           HN       SER  54   5.182   6.996   6.681
  391    HA   SER  54           HA       SER  54   7.393   8.540   7.593
  392    HB2  SER  54           HB2      SER  54   4.959   7.540   9.075
  393    HB3  SER  54           HB1      SER  54   6.070   8.786   9.638
  394    HG   SER  54           HG       SER  54   5.459   9.634   7.317
  395    H    ARG  55           HN       ARG  55   6.431   5.202   7.925
  396    HA   ARG  55           HA       ARG  55   8.044   4.760  10.252
  397    HB2  ARG  55           HB2      ARG  55   5.968   3.511   9.774
  398    HB3  ARG  55           HB1      ARG  55   6.768   2.743   8.415
  399    HG2  ARG  55           HG2      ARG  55   8.346   1.691   9.941
  400    HG3  ARG  55           HG1      ARG  55   7.563   2.495  11.310
  401    HD2  ARG  55           HD2      ARG  55   5.431   1.363  10.658
  402    HD3  ARG  55           HD1      ARG  55   6.345   0.470   9.445
  403    HE   ARG  55           HE       ARG  55   7.734  -0.035  11.641
  404   HH11  ARG  55          HH11      ARG  55   4.225  -0.402  10.915
  405   HH12  ARG  55          HH12      ARG  55   4.007  -1.540  12.163
  406   HH21  ARG  55          HH21      ARG  55   7.301  -1.619  13.341
  407   HH22  ARG  55          HH22      ARG  55   5.711  -2.255  13.482
  408    H    TYR  56           HN       TYR  56   8.399   4.048   6.775
  409    HA   TYR  56           HA       TYR  56  11.040   2.976   7.391
  410    HB2  TYR  56           HB2      TYR  56   9.415   2.794   4.851
  411    HB3  TYR  56           HB1      TYR  56  11.019   2.086   5.066
  412    HD1  TYR  56           HD1      TYR  56  11.335   0.235   6.681
  413    HD2  TYR  56           HD2      TYR  56   7.478   1.759   5.757
  414    HE1  TYR  56           HE1      TYR  56  10.320  -1.811   7.578
  415    HE2  TYR  56           HE2      TYR  56   6.446  -0.284   6.668
  416    HH   TYR  56           HH       TYR  56   7.069  -2.597   7.036
  417    H    GLY  57           HN       GLY  57   9.707   5.857   6.508
  418    HA2  GLY  57           HA2      GLY  57  10.817   7.838   6.096
  419    HA3  GLY  57           HA1      GLY  57  12.315   6.920   5.974
  420    H    VAL  58           HN       VAL  58   9.250   6.963   4.190
  421    HA   VAL  58           HA       VAL  58  10.762   7.528   1.757
  422    HB   VAL  58           HB       VAL  58   9.486   5.935   0.405
  423   HG11  VAL  58          HG11      VAL  58  10.679   4.595   2.800
  424   HG12  VAL  58          HG12      VAL  58  11.555   5.128   1.359
  425   HG13  VAL  58          HG13      VAL  58  10.378   3.816   1.245
  426   HG21  VAL  58          HG21      VAL  58   7.983   4.272   1.389
  427   HG22  VAL  58          HG22      VAL  58   7.393   5.908   1.685
  428   HG23  VAL  58          HG23      VAL  58   8.191   5.012   2.975
  429    H    SER  59           HN       SER  59   8.823   7.833  -0.108
  430    HA   SER  59           HA       SER  59   6.571   9.204   1.018
  431    HB2  SER  59           HB2      SER  59   8.372  10.918   1.067
  432    HB3  SER  59           HB1      SER  59   8.605  10.707  -0.664
  433    HG   SER  59           HG       SER  59   6.265  11.660   0.648
  434    H    ILE  60           HN       ILE  60   4.900   9.149  -0.331
  435    HA   ILE  60           HA       ILE  60   5.299   8.493  -3.181
  436    HB   ILE  60           HB       ILE  60   3.073   7.458  -1.378
  437   HG12  ILE  60          HG12      ILE  60   5.274   5.925  -2.783
  438   HG13  ILE  60          HG11      ILE  60   5.169   6.208  -1.049
  439   HG21  ILE  60          HG21      ILE  60   2.278   6.220  -3.357
  440   HG22  ILE  60          HG22      ILE  60   3.527   7.002  -4.332
  441   HG23  ILE  60          HG23      ILE  60   2.245   7.968  -3.603
  442   HD11  ILE  60          HD11      ILE  60   4.439   3.968  -1.608
  443   HD12  ILE  60          HD12      ILE  60   3.235   4.617  -2.721
  444   HD13  ILE  60          HD13      ILE  60   3.081   4.912  -0.989
  445    HA   PRO  61           HA       PRO  61   2.903  12.296  -3.466
  446    HB2  PRO  61           HB2      PRO  61   2.441  11.320  -6.235
  447    HB3  PRO  61           HB1      PRO  61   3.121  12.858  -5.683
  448    HG2  PRO  61           HG2      PRO  61   4.671  10.985  -6.772
  449    HG3  PRO  61           HG1      PRO  61   5.243  11.985  -5.420
  450    HD2  PRO  61           HD2      PRO  61   4.257   9.164  -5.418
  451    HD3  PRO  61           HD1      PRO  61   5.610   9.874  -4.523
  452    H    ASP  62           HN       ASP  62   0.800  12.624  -3.100
  453    HA   ASP  62           HA       ASP  62  -0.955  10.562  -2.519
  454    HB2  ASP  62           HB2      ASP  62  -2.740  12.233  -2.299
  455    HB3  ASP  62           HB1      ASP  62  -1.256  12.777  -1.529
  456    H    ASP  63           HN       ASP  63  -0.495  12.124  -5.583
  457    HA   ASP  63           HA       ASP  63  -2.957  11.328  -6.718
  458    HB2  ASP  63           HB2      ASP  63  -2.147  12.108  -8.793
  459    HB3  ASP  63           HB1      ASP  63  -1.374  13.144  -7.606
  460    H    VAL  64           HN       VAL  64   0.174   9.780  -6.382
  461    HA   VAL  64           HA       VAL  64  -0.380   7.801  -8.375
  462    HB   VAL  64           HB       VAL  64   1.804   7.578  -6.301
  463   HG11  VAL  64          HG11      VAL  64   1.441   5.628  -7.695
  464   HG12  VAL  64          HG12      VAL  64   2.992   6.383  -8.066
  465   HG13  VAL  64          HG13      VAL  64   1.614   6.614  -9.146
  466   HG21  VAL  64          HG21      VAL  64   3.290   8.796  -7.818
  467   HG22  VAL  64          HG22      VAL  64   1.966   9.812  -7.249
  468   HG23  VAL  64          HG23      VAL  64   1.921   9.132  -8.876
  469    H    ALA  65           HN       ALA  65  -0.882   8.117  -4.977
  470    HA   ALA  65           HA       ALA  65  -1.193   5.402  -4.318
  471    HB1  ALA  65           HB1      ALA  65  -0.939   7.165  -2.627
  472    HB2  ALA  65           HB2      ALA  65  -2.403   6.219  -2.349
  473    HB3  ALA  65           HB3      ALA  65  -2.517   7.825  -3.077
  474    H    GLY  66           HN       GLY  66  -3.283   7.751  -5.832
  475    HA2  GLY  66           HA2      GLY  66  -5.579   5.935  -5.742
  476    HA3  GLY  66           HA1      GLY  66  -5.571   7.593  -6.348
  477    H    ARG  67           HN       ARG  67  -2.896   6.072  -7.505
  478    HA   ARG  67           HA       ARG  67  -4.218   5.527 -10.059
  479    HB2  ARG  67           HB2      ARG  67  -1.523   6.657  -9.395
  480    HB3  ARG  67           HB1      ARG  67  -1.828   5.915 -10.957
  481    HG2  ARG  67           HG2      ARG  67  -3.501   7.546 -11.474
  482    HG3  ARG  67           HG1      ARG  67  -3.436   8.200  -9.831
  483    HD2  ARG  67           HD2      ARG  67  -2.218   9.581 -11.506
  484    HD3  ARG  67           HD1      ARG  67  -1.207   9.015 -10.177
  485    HE   ARG  67           HE       ARG  67  -1.236   7.572 -12.726
  486   HH11  ARG  67          HH11      ARG  67   0.546   9.736 -10.507
  487   HH12  ARG  67          HH12      ARG  67   2.071   9.213 -11.051
  488   HH21  ARG  67          HH21      ARG  67   0.897   6.952 -13.527
  489   HH22  ARG  67          HH22      ARG  67   2.286   7.572 -12.787
  490    H    VAL  68           HN       VAL  68  -3.333   3.795  -7.576
  491    HA   VAL  68           HA       VAL  68  -2.036   1.856  -9.281
  492    HB   VAL  68           HB       VAL  68  -1.331   0.578  -7.269
  493   HG11  VAL  68          HG11      VAL  68  -0.421   3.445  -7.408
  494   HG12  VAL  68          HG12      VAL  68   0.203   2.097  -8.348
  495   HG13  VAL  68          HG13      VAL  68   0.444   2.142  -6.596
  496   HG21  VAL  68          HG21      VAL  68  -2.342   2.986  -5.752
  497   HG22  VAL  68          HG22      VAL  68  -1.340   1.698  -5.093
  498   HG23  VAL  68          HG23      VAL  68  -2.980   1.336  -5.645
  499    H    ASP  69           HN       ASP  69  -2.679  -0.353  -9.195
  500    HA   ASP  69           HA       ASP  69  -5.616  -0.570  -8.827
  501    HB2  ASP  69           HB2      ASP  69  -4.680  -0.855 -11.195
  502    HB3  ASP  69           HB1      ASP  69  -3.834  -2.252 -10.593
  503    H    THR  70           HN       THR  70  -2.636  -2.499  -8.712
  504    HA   THR  70           HA       THR  70  -3.893  -4.234  -6.768
  505    HB   THR  70           HB       THR  70  -2.254  -5.926  -7.639
  506    HG1  THR  70           HG1      THR  70  -1.421  -5.211  -9.812
  507   HG21  THR  70          HG21      THR  70  -3.963  -4.607  -9.757
  508   HG22  THR  70          HG22      THR  70  -4.526  -5.787  -8.572
  509   HG23  THR  70          HG23      THR  70  -3.360  -6.269  -9.810
  510    HA   PRO  71           HA       PRO  71  -1.119  -2.961  -3.552
  511    HB2  PRO  71           HB2      PRO  71  -0.415  -5.854  -3.289
  512    HB3  PRO  71           HB1      PRO  71  -0.902  -4.694  -2.046
  513    HG2  PRO  71           HG2      PRO  71  -2.656  -6.430  -2.906
  514    HG3  PRO  71           HG1      PRO  71  -3.143  -4.736  -2.709
  515    HD2  PRO  71           HD2      PRO  71  -2.461  -6.219  -5.208
  516    HD3  PRO  71           HD1      PRO  71  -3.771  -5.057  -4.908
  517    H    ARG  72           HN       ARG  72   0.162  -5.258  -5.867
  518    HA   ARG  72           HA       ARG  72   2.882  -5.056  -5.221
  519    HB2  ARG  72           HB2      ARG  72   3.339  -5.951  -7.458
  520    HB3  ARG  72           HB1      ARG  72   2.054  -6.821  -6.633
  521    HG2  ARG  72           HG2      ARG  72   0.400  -5.570  -7.969
  522    HG3  ARG  72           HG1      ARG  72   1.734  -4.800  -8.836
  523    HD2  ARG  72           HD2      ARG  72   1.146  -7.743  -8.706
  524    HD3  ARG  72           HD1      ARG  72   0.843  -6.696 -10.084
  525    HE   ARG  72           HE       ARG  72   3.374  -6.283  -9.872
  526   HH11  ARG  72          HH11      ARG  72   1.687  -9.398  -9.468
  527   HH12  ARG  72          HH12      ARG  72   3.031 -10.351  -9.840
  528   HH21  ARG  72          HH21      ARG  72   5.244  -7.644 -10.548
  529   HH22  ARG  72          HH22      ARG  72   5.090  -9.325 -10.540
  530    H    GLU  73           HN       GLU  73   0.851  -2.927  -7.067
  531    HA   GLU  73           HA       GLU  73   3.000  -1.506  -8.296
  532    HB2  GLU  73           HB2      GLU  73   0.121  -0.691  -7.897
  533    HB3  GLU  73           HB1      GLU  73   1.247   0.034  -9.025
  534    HG2  GLU  73           HG2      GLU  73   0.261  -2.809  -9.114
  535    HG3  GLU  73           HG1      GLU  73  -0.308  -1.485 -10.133
  536    H    LEU  74           HN       LEU  74   0.903  -1.059  -5.530
  537    HA   LEU  74           HA       LEU  74   1.792   1.500  -4.672
  538    HB2  LEU  74           HB2      LEU  74  -0.272   0.094  -3.921
  539    HB3  LEU  74           HB1      LEU  74   0.934  -0.737  -2.932
  540    HG   LEU  74           HG       LEU  74  -0.561   1.024  -1.773
  541   HD11  LEU  74          HD11      LEU  74   1.384   0.100  -0.657
  542   HD12  LEU  74          HD12      LEU  74   1.226   1.821  -0.310
  543   HD13  LEU  74          HD13      LEU  74   2.420   1.260  -1.486
  544   HD21  LEU  74          HD21      LEU  74   1.330   2.875  -3.206
  545   HD22  LEU  74          HD22      LEU  74   0.234   3.338  -1.912
  546   HD23  LEU  74          HD23      LEU  74  -0.413   2.756  -3.452
  547    H    LEU  75           HN       LEU  75   2.685  -1.801  -3.898
  548    HA   LEU  75           HA       LEU  75   4.562  -1.300  -1.931
  549    HB2  LEU  75           HB2      LEU  75   3.486  -3.412  -2.311
  550    HB3  LEU  75           HB1      LEU  75   4.224  -3.533  -3.895
  551    HG   LEU  75           HG       LEU  75   6.375  -3.545  -2.801
  552   HD11  LEU  75          HD11      LEU  75   6.472  -4.178  -0.391
  553   HD12  LEU  75          HD12      LEU  75   4.733  -3.935  -0.284
  554   HD13  LEU  75          HD13      LEU  75   5.799  -2.570  -0.644
  555   HD21  LEU  75          HD21      LEU  75   5.351  -5.491  -3.653
  556   HD22  LEU  75          HD22      LEU  75   4.434  -5.733  -2.167
  557   HD23  LEU  75          HD23      LEU  75   6.199  -5.930  -2.164
  558    H    ASP  76           HN       ASP  76   4.834  -1.470  -5.471
  559    HA   ASP  76           HA       ASP  76   7.677  -1.402  -5.554
  560    HB2  ASP  76           HB2      ASP  76   6.275  -2.115  -7.500
  561    HB3  ASP  76           HB1      ASP  76   5.784  -0.429  -7.699
  562    H    LEU  77           HN       LEU  77   5.185   1.046  -5.455
  563    HA   LEU  77           HA       LEU  77   6.776   3.305  -5.942
  564    HB2  LEU  77           HB2      LEU  77   4.417   3.030  -4.087
  565    HB3  LEU  77           HB1      LEU  77   5.038   4.534  -4.732
  566    HG   LEU  77           HG       LEU  77   3.798   2.319  -6.339
  567   HD11  LEU  77          HD11      LEU  77   2.685   5.003  -5.532
  568   HD12  LEU  77          HD12      LEU  77   2.170   3.430  -4.914
  569   HD13  LEU  77          HD13      LEU  77   1.901   3.839  -6.605
  570   HD21  LEU  77          HD21      LEU  77   5.457   3.590  -7.607
  571   HD22  LEU  77          HD22      LEU  77   4.648   5.100  -7.161
  572   HD23  LEU  77          HD23      LEU  77   3.822   3.923  -8.179
  573    H    ILE  78           HN       ILE  78   6.111   1.463  -3.062
  574    HA   ILE  78           HA       ILE  78   7.600   3.034  -1.239
  575    HB   ILE  78           HB       ILE  78   6.815   0.099  -1.133
  576   HG12  ILE  78          HG12      ILE  78   4.933   1.667  -1.183
  577   HG13  ILE  78          HG11      ILE  78   5.050   0.852   0.376
  578   HG21  ILE  78          HG21      ILE  78   8.725   0.447   0.304
  579   HG22  ILE  78          HG22      ILE  78   7.271   0.180   1.268
  580   HG23  ILE  78          HG23      ILE  78   7.922   1.814   1.087
  581   HD11  ILE  78          HD11      ILE  78   5.974   3.651  -0.241
  582   HD12  ILE  78          HD12      ILE  78   6.099   2.848   1.325
  583   HD13  ILE  78          HD13      ILE  78   4.510   3.214   0.636
  584    H    ASN  79           HN       ASN  79   8.289  -0.040  -2.858
  585    HA   ASN  79           HA       ASN  79  10.896  -0.541  -2.118
  586    HB2  ASN  79           HB2      ASN  79   9.672  -1.000  -4.854
  587    HB3  ASN  79           HB1      ASN  79  11.192  -1.681  -4.326
  588   HD21  ASN  79          HD21      ASN  79  10.176  -2.241  -1.616
  589   HD22  ASN  79          HD22      ASN  79   9.132  -3.611  -1.813
  590    H    GLY  80           HN       GLY  80   9.844   1.384  -4.897
  591    HA2  GLY  80           HA2      GLY  80  12.316   2.109  -5.904
  592    HA3  GLY  80           HA1      GLY  80  10.836   3.024  -6.089
  593    H    ALA  81           HN       ALA  81  10.306   3.843  -3.553
  594    HA   ALA  81           HA       ALA  81  12.162   6.004  -3.308
  595    HB1  ALA  81           HB1      ALA  81  10.694   6.841  -1.572
  596    HB2  ALA  81           HB2      ALA  81   9.859   5.293  -1.496
  597    HB3  ALA  81           HB3      ALA  81   9.732   6.287  -2.947
  598    H    LEU  82           HN       LEU  82  11.760   2.942  -1.717
  599    HA   LEU  82           HA       LEU  82  13.157   3.594   0.648
  600    HB2  LEU  82           HB2      LEU  82  11.504   1.811   0.533
  601    HB3  LEU  82           HB1      LEU  82  12.494   0.954  -0.638
  602    HG   LEU  82           HG       LEU  82  14.245   0.803   1.048
  603   HD11  LEU  82          HD11      LEU  82  13.631   2.621   2.515
  604   HD12  LEU  82          HD12      LEU  82  13.636   1.122   3.444
  605   HD13  LEU  82          HD13      LEU  82  12.111   1.833   2.923
  606   HD21  LEU  82          HD21      LEU  82  12.818  -1.080   0.603
  607   HD22  LEU  82          HD22      LEU  82  11.606  -0.459   1.728
  608   HD23  LEU  82          HD23      LEU  82  13.168  -1.006   2.332
  609    H    ALA  83           HN       ALA  83  14.025   2.068  -2.427
  610    HA   ALA  83           HA       ALA  83  16.666   1.387  -1.759
  611    HB1  ALA  83           HB1      ALA  83  17.047   1.244  -4.168
  612    HB2  ALA  83           HB2      ALA  83  15.577   2.162  -4.464
  613    HB3  ALA  83           HB3      ALA  83  15.484   0.538  -3.764
  614    H    GLU  84           HN       GLU  84  15.209   4.308  -2.935
  615    HA   GLU  84           HA       GLU  84  17.564   5.807  -3.358
  616    HB2  GLU  84           HB2      GLU  84  14.693   6.206  -3.435
  617    HB3  GLU  84           HB1      GLU  84  15.509   7.592  -2.739
  618    HG2  GLU  84           HG2      GLU  84  15.098   7.700  -5.186
  619    HG3  GLU  84           HG1      GLU  84  16.773   7.951  -4.706
  620    H    ALA  85           HN       ALA  85  15.492   5.241  -0.576
  621    HA   ALA  85           HA       ALA  85  16.589   7.249   1.099
  622    HB1  ALA  85           HB1      ALA  85  15.411   6.127   2.917
  623    HB2  ALA  85           HB2      ALA  85  15.133   4.724   1.888
  624    HB3  ALA  85           HB3      ALA  85  14.373   6.273   1.499
  625    H    ALA  86           HN       ALA  86  17.295   3.856   0.600
  626    HA   ALA  86           HA       ALA  86  19.096   2.582   0.930
  627    HB1  ALA  86           HB1      ALA  86  21.308   3.540   1.141
  628    HB2  ALA  86           HB2      ALA  86  20.616   5.093   1.617
  629    HB3  ALA  86           HB3      ALA  86  20.365   4.485  -0.018
  630   H28A  SDO 101          H28A      SDO  42  -9.262  11.371  -2.430
  631   H28B  SDO 101          H28B      SDO  42  -7.895  10.713  -1.523
  632   H30A  SDO 101          H30A      SDO  42  -9.096  13.281  -0.803
  633   H30B  SDO 101          H30B      SDO  42  -7.632  14.262  -0.737
  634   H30C  SDO 101          H30C      SDO  42  -7.623  12.619  -0.088
  635   H31A  SDO 101          H31A      SDO  42  -5.666  13.665  -2.203
  636   H31B  SDO 101          H31B      SDO  42  -5.762  12.226  -3.222
  637   H31C  SDO 101          H31C      SDO  42  -5.706  12.064  -1.472
  638   H32A  SDO 101          H32A      SDO  42  -7.906  13.187  -4.337
  639   H33A  SDO 101          H33A      SDO  42  -8.018  15.583  -2.976
  640   H36A  SDO 101          H36A      SDO  42  -9.364  15.453  -4.548
  641   H37A  SDO 101          H37A      SDO  42 -11.743  15.399  -5.193
  642   H37B  SDO 101          H37B      SDO  42 -12.089  14.756  -3.584
  643   H38A  SDO 101          H38A      SDO  42 -10.938  17.486  -4.177
  644   H38B  SDO 101          H38B      SDO  42 -12.623  17.174  -3.828
  645   H41A  SDO 101          H41A      SDO  42 -11.731  15.056  -1.851
  646   H42A  SDO 101          H42A      SDO  42 -10.162  15.792   0.188
  647   H42B  SDO 101          H42B      SDO  42 -11.683  16.635   0.532
  648   H43A  SDO 101          H43A      SDO  42 -11.364  13.712  -0.002
  649   H43B  SDO 101          H43B      SDO  42 -12.855  14.500   0.488
  650    H1A  SDO 101           H1A      SDO  42 -10.997  15.603   4.131
  651    H1B  SDO 101           H1B      SDO  42  -9.568  14.738   3.627
  652    H2A  SDO 101           H2A      SDO  42 -10.801  17.065   2.201
  653    H2B  SDO 101           H2B      SDO  42  -9.340  16.240   1.730
  654    H4A  SDO 101           H4A      SDO  42  -8.946  18.390   5.398
  655    H4B  SDO 101           H4B      SDO  42  -7.517  17.520   4.913
  656    H5A  SDO 101           H5A      SDO  42  -8.673  15.386   5.250
  657    H5B  SDO 101           H5B      SDO  42 -10.093  16.260   5.815
  658    H6A  SDO 101           H6A      SDO  42  -7.401  16.596   7.103
  659    H6B  SDO 101           H6B      SDO  42  -8.515  15.335   7.596
  660    H8A  SDO 101           H8A      SDO  42 -11.246  17.616   7.954
  661    H8B  SDO 101           H8B      SDO  42 -10.270  18.256   6.621
  662    H8C  SDO 101           H8C      SDO  42 -10.299  19.093   8.179
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  21.375  -7.781   2.098
    2    H2   MET   1           HT2      MET   1  20.454  -6.480   1.555
    3    H3   MET   1           HT3      MET   1  19.835  -7.489   2.769
    4    HA   MET   1           HA       MET   1  21.528  -6.807   4.278
    5    HB2  MET   1           HB2      MET   1  23.309  -6.329   2.685
    6    HB3  MET   1           HB1      MET   1  22.385  -4.979   2.029
    7    HG2  MET   1           HG2      MET   1  22.620  -3.762   4.098
    8    HG3  MET   1           HG1      MET   1  23.426  -5.141   4.854
    9    HE1  MET   1           HE1      MET   1  26.806  -5.296   2.909
   10    HE2  MET   1           HE2      MET   1  25.328  -6.183   2.552
   11    HE3  MET   1           HE3      MET   1  25.850  -5.973   4.225
   12    H    ALA   2           HN       ALA   2  19.990  -4.523   1.979
   13    HA   ALA   2           HA       ALA   2  19.191  -2.800   4.124
   14    HB1  ALA   2           HB1      ALA   2  19.656  -1.878   1.910
   15    HB2  ALA   2           HB2      ALA   2  17.973  -1.586   2.360
   16    HB3  ALA   2           HB3      ALA   2  18.374  -2.873   1.222
   17    H    THR   3           HN       THR   3  17.122  -2.553   4.914
   18    HA   THR   3           HA       THR   3  15.555  -4.943   4.879
   19    HB   THR   3           HB       THR   3  15.013  -2.309   6.289
   20    HG1  THR   3           HG1      THR   3  16.808  -4.381   6.628
   21   HG21  THR   3          HG21      THR   3  13.126  -3.915   6.312
   22   HG22  THR   3          HG22      THR   3  13.848  -3.757   7.918
   23   HG23  THR   3          HG23      THR   3  14.210  -5.170   6.921
   24    H    LEU   4           HN       LEU   4  15.251  -4.636   2.544
   25    HA   LEU   4           HA       LEU   4  13.435  -2.704   1.463
   26    HB2  LEU   4           HB2      LEU   4  15.219  -4.089   0.243
   27    HB3  LEU   4           HB1      LEU   4  14.111  -5.439   0.364
   28    HG   LEU   4           HG       LEU   4  12.473  -4.028  -0.950
   29   HD11  LEU   4          HD11      LEU   4  14.936  -2.336  -1.374
   30   HD12  LEU   4          HD12      LEU   4  13.472  -1.844  -0.532
   31   HD13  LEU   4          HD13      LEU   4  13.418  -2.195  -2.257
   32   HD21  LEU   4          HD21      LEU   4  13.740  -5.851  -1.957
   33   HD22  LEU   4          HD22      LEU   4  15.102  -4.761  -2.236
   34   HD23  LEU   4          HD23      LEU   4  13.575  -4.500  -3.079
   35    H    LEU   5           HN       LEU   5  11.177  -2.987   1.171
   36    HA   LEU   5           HA       LEU   5  10.007  -4.703   3.093
   37    HB2  LEU   5           HB2      LEU   5   8.752  -2.949   1.011
   38    HB3  LEU   5           HB1      LEU   5   7.815  -3.926   2.110
   39    HG   LEU   5           HG       LEU   5   9.002  -2.644   3.979
   40   HD11  LEU   5          HD11      LEU   5   9.766  -0.398   3.420
   41   HD12  LEU   5          HD12      LEU   5   9.584  -0.753   1.704
   42   HD13  LEU   5          HD13      LEU   5  10.774  -1.625   2.661
   43   HD21  LEU   5          HD21      LEU   5   7.371  -0.792   3.756
   44   HD22  LEU   5          HD22      LEU   5   6.738  -2.423   3.535
   45   HD23  LEU   5          HD23      LEU   5   7.005  -1.399   2.124
   46    H    THR   6           HN       THR   6   8.945  -6.492   2.922
   47    HA   THR   6           HA       THR   6   9.203  -7.957   0.446
   48    HB   THR   6           HB       THR   6   8.613  -9.888   1.883
   49    HG1  THR   6           HG1      THR   6   8.781  -9.235   4.287
   50   HG21  THR   6          HG21      THR   6  10.864  -8.167   2.962
   51   HG22  THR   6          HG22      THR   6  10.986  -9.272   1.593
   52   HG23  THR   6          HG23      THR   6  10.701  -9.906   3.217
   53    H    THR   7           HN       THR   7   7.209  -9.696   0.506
   54    HA   THR   7           HA       THR   7   4.851  -8.192   0.023
   55    HB   THR   7           HB       THR   7   5.122 -11.207   0.171
   56    HG1  THR   7           HG1      THR   7   5.464 -10.375  -2.325
   57   HG21  THR   7          HG21      THR   7   3.434  -9.371  -1.554
   58   HG22  THR   7          HG22      THR   7   2.855 -10.276  -0.152
   59   HG23  THR   7          HG23      THR   7   3.418 -11.137  -1.585
   60    H    ASP   8           HN       ASP   8   6.298  -9.630   2.713
   61    HA   ASP   8           HA       ASP   8   3.887 -10.234   4.176
   62    HB2  ASP   8           HB2      ASP   8   6.798 -10.255   4.991
   63    HB3  ASP   8           HB1      ASP   8   5.497 -10.582   6.120
   64    H    ASP   9           HN       ASP   9   6.397  -7.782   4.155
   65    HA   ASP   9           HA       ASP   9   5.564  -6.352   6.429
   66    HB2  ASP   9           HB2      ASP   9   7.763  -6.003   5.131
   67    HB3  ASP   9           HB1      ASP   9   6.807  -5.056   4.004
   68    H    LEU  10           HN       LEU  10   4.912  -5.816   3.007
   69    HA   LEU  10           HA       LEU  10   3.240  -3.615   3.171
   70    HB2  LEU  10           HB2      LEU  10   4.102  -4.491   1.069
   71    HB3  LEU  10           HB1      LEU  10   3.093  -5.918   1.240
   72    HG   LEU  10           HG       LEU  10   1.112  -4.332   1.233
   73   HD11  LEU  10          HD11      LEU  10   2.246  -2.281   1.692
   74   HD12  LEU  10          HD12      LEU  10   1.423  -2.177   0.132
   75   HD13  LEU  10          HD13      LEU  10   3.169  -2.412   0.195
   76   HD21  LEU  10          HD21      LEU  10   2.787  -4.550  -1.269
   77   HD22  LEU  10          HD22      LEU  10   1.057  -4.212  -1.220
   78   HD23  LEU  10          HD23      LEU  10   1.670  -5.769  -0.665
   79    H    ARG  11           HN       ARG  11   2.499  -7.035   3.462
   80    HA   ARG  11           HA       ARG  11  -0.286  -6.736   3.395
   81    HB2  ARG  11           HB2      ARG  11   0.901  -8.879   2.994
   82    HB3  ARG  11           HB1      ARG  11   1.252  -8.971   4.713
   83    HG2  ARG  11           HG2      ARG  11  -1.044  -9.201   5.260
   84    HG3  ARG  11           HG1      ARG  11  -1.547  -8.794   3.620
   85    HD2  ARG  11           HD2      ARG  11  -1.734 -11.155   3.888
   86    HD3  ARG  11           HD1      ARG  11  -0.379 -10.828   2.818
   87    HE   ARG  11           HE       ARG  11  -0.226 -11.638   5.618
   88   HH11  ARG  11          HH11      ARG  11   1.500 -11.132   2.571
   89   HH12  ARG  11          HH12      ARG  11   2.630 -12.378   2.801
   90   HH21  ARG  11          HH21      ARG  11   1.306 -13.419   5.942
   91   HH22  ARG  11          HH22      ARG  11   2.529 -13.706   4.794
   92    H    ARG  12           HN       ARG  12   2.007  -6.870   6.108
   93    HA   ARG  12           HA       ARG  12   0.104  -6.778   8.168
   94    HB2  ARG  12           HB2      ARG  12   2.876  -5.554   8.132
   95    HB3  ARG  12           HB1      ARG  12   1.849  -5.632   9.552
   96    HG2  ARG  12           HG2      ARG  12   1.940  -8.142   9.337
   97    HG3  ARG  12           HG1      ARG  12   3.183  -7.903   8.092
   98    HD2  ARG  12           HD2      ARG  12   4.526  -6.606   9.678
   99    HD3  ARG  12           HD1      ARG  12   3.294  -6.830  10.912
  100    HE   ARG  12           HE       ARG  12   5.047  -8.922   9.809
  101   HH11  ARG  12          HH11      ARG  12   2.781  -7.936  12.434
  102   HH12  ARG  12          HH12      ARG  12   3.518  -8.974  13.566
  103   HH21  ARG  12          HH21      ARG  12   6.017 -10.323  11.529
  104   HH22  ARG  12          HH22      ARG  12   5.311 -10.299  13.070
  105    H    ALA  13           HN       ALA  13   1.703  -4.166   6.432
  106    HA   ALA  13           HA       ALA  13   0.523  -2.067   7.911
  107    HB1  ALA  13           HB1      ALA  13   1.395  -0.595   6.202
  108    HB2  ALA  13           HB2      ALA  13   1.698  -1.977   5.146
  109    HB3  ALA  13           HB3      ALA  13   2.598  -1.804   6.657
  110    H    LEU  14           HN       LEU  14  -0.345  -3.577   4.803
  111    HA   LEU  14           HA       LEU  14  -2.380  -1.824   4.082
  112    HB2  LEU  14           HB2      LEU  14  -1.191  -3.634   2.737
  113    HB3  LEU  14           HB1      LEU  14  -2.260  -4.784   3.498
  114    HG   LEU  14           HG       LEU  14  -4.186  -3.633   2.454
  115   HD11  LEU  14          HD11      LEU  14  -2.053  -2.006   1.072
  116   HD12  LEU  14          HD12      LEU  14  -3.200  -1.410   2.268
  117   HD13  LEU  14          HD13      LEU  14  -3.776  -1.985   0.706
  118   HD21  LEU  14          HD21      LEU  14  -3.156  -5.556   1.348
  119   HD22  LEU  14          HD22      LEU  14  -2.004  -4.483   0.554
  120   HD23  LEU  14          HD23      LEU  14  -3.722  -4.378   0.161
  121    H    VAL  15           HN       VAL  15  -2.427  -4.713   6.156
  122    HA   VAL  15           HA       VAL  15  -5.204  -4.967   6.605
  123    HB   VAL  15           HB       VAL  15  -2.949  -5.604   8.552
  124   HG11  VAL  15          HG11      VAL  15  -4.536  -7.193   9.582
  125   HG12  VAL  15          HG12      VAL  15  -5.816  -6.550   8.550
  126   HG13  VAL  15          HG13      VAL  15  -5.039  -5.512   9.744
  127   HG21  VAL  15          HG21      VAL  15  -2.695  -6.795   6.485
  128   HG22  VAL  15          HG22      VAL  15  -4.358  -7.392   6.580
  129   HG23  VAL  15          HG23      VAL  15  -3.155  -7.901   7.778
  130    H    GLU  16           HN       GLU  16  -2.816  -2.872   8.024
  131    HA   GLU  16           HA       GLU  16  -4.275  -2.121  10.305
  132    HB2  GLU  16           HB2      GLU  16  -2.020  -0.697   8.908
  133    HB3  GLU  16           HB1      GLU  16  -2.638  -0.299  10.511
  134    HG2  GLU  16           HG2      GLU  16  -1.457  -2.935   9.698
  135    HG3  GLU  16           HG1      GLU  16  -0.604  -1.696  10.594
  136    H    SER  17           HN       SER  17  -4.289  -0.867   7.056
  137    HA   SER  17           HA       SER  17  -5.944   1.346   7.925
  138    HB2  SER  17           HB2      SER  17  -4.146   1.482   6.081
  139    HB3  SER  17           HB1      SER  17  -5.307   0.617   5.068
  140    HG   SER  17           HG       SER  17  -5.693   3.031   6.436
  141    H    ALA  18           HN       ALA  18  -6.222  -1.846   6.677
  142    HA   ALA  18           HA       ALA  18  -8.843  -1.667   5.583
  143    HB1  ALA  18           HB1      ALA  18  -8.827  -4.122   5.643
  144    HB2  ALA  18           HB2      ALA  18  -7.340  -4.086   6.598
  145    HB3  ALA  18           HB3      ALA  18  -7.346  -3.478   4.941
  146    H    GLY  19           HN       GLY  19  -7.616  -1.749   8.724
  147    HA2  GLY  19           HA2      GLY  19  -9.823  -2.929  10.070
  148    HA3  GLY  19           HA1      GLY  19  -8.570  -1.937  10.804
  149    H    GLU  20           HN       GLU  20  -9.650   0.026   8.412
  150    HA   GLU  20           HA       GLU  20 -11.691   1.162  10.171
  151    HB2  GLU  20           HB2      GLU  20  -9.853   2.578   8.235
  152    HB3  GLU  20           HB1      GLU  20 -11.105   3.354   9.195
  153    HG2  GLU  20           HG2      GLU  20  -8.583   2.029  10.172
  154    HG3  GLU  20           HG1      GLU  20  -9.009   3.734  10.264
  155    H    THR  21           HN       THR  21 -11.697  -0.781   7.823
  156    HA   THR  21           HA       THR  21 -13.988   0.376   6.546
  157    HB   THR  21           HB       THR  21 -12.028   1.020   5.133
  158    HG1  THR  21           HG1      THR  21 -12.823  -0.144   3.130
  159   HG21  THR  21          HG21      THR  21 -11.626  -1.955   4.763
  160   HG22  THR  21          HG22      THR  21 -10.522  -0.835   5.563
  161   HG23  THR  21          HG23      THR  21 -10.817  -0.700   3.829
  162    H    ASP  22           HN       ASP  22 -14.167  -1.781   4.661
  163    HA   ASP  22           HA       ASP  22 -14.897  -3.897   6.482
  164    HB2  ASP  22           HB2      ASP  22 -15.256  -3.517   3.569
  165    HB3  ASP  22           HB1      ASP  22 -15.673  -5.058   4.317
  166    H    GLY  23           HN       GLY  23 -13.223  -4.953   7.216
  167    HA2  GLY  23           HA2      GLY  23 -10.795  -5.395   5.893
  168    HA3  GLY  23           HA1      GLY  23 -11.356  -6.261   7.309
  169    H    THR  24           HN       THR  24 -10.342  -6.648   4.287
  170    HA   THR  24           HA       THR  24 -12.129  -8.769   3.465
  171    HB   THR  24           HB       THR  24 -11.266  -7.132   1.784
  172    HG1  THR  24           HG1      THR  24 -11.645  -9.490   1.205
  173   HG21  THR  24          HG21      THR  24  -8.908  -7.192   1.081
  174   HG22  THR  24          HG22      THR  24  -8.556  -8.318   2.399
  175   HG23  THR  24          HG23      THR  24  -9.084  -6.675   2.756
  176    H    ASP  25           HN       ASP  25 -10.304 -10.495   2.245
  177    HA   ASP  25           HA       ASP  25  -8.941 -11.752   4.514
  178    HB2  ASP  25           HB2      ASP  25  -9.830 -12.848   1.836
  179    HB3  ASP  25           HB1      ASP  25  -8.752 -13.729   2.902
  180    H    LEU  26           HN       LEU  26  -7.078 -10.693   4.591
  181    HA   LEU  26           HA       LEU  26  -5.739 -10.262   2.060
  182    HB2  LEU  26           HB2      LEU  26  -6.180  -8.412   3.835
  183    HB3  LEU  26           HB1      LEU  26  -4.796  -9.118   4.658
  184    HG   LEU  26           HG       LEU  26  -3.437  -8.715   2.622
  185   HD11  LEU  26          HD11      LEU  26  -4.348  -7.157   0.935
  186   HD12  LEU  26          HD12      LEU  26  -5.928  -7.262   1.715
  187   HD13  LEU  26          HD13      LEU  26  -5.223  -8.685   0.973
  188   HD21  LEU  26          HD21      LEU  26  -4.795  -6.298   3.795
  189   HD22  LEU  26          HD22      LEU  26  -3.230  -6.316   2.984
  190   HD23  LEU  26          HD23      LEU  26  -3.444  -7.165   4.512
  191    H    SER  27           HN       SER  27  -5.241 -12.436   1.896
  192    HA   SER  27           HA       SER  27  -2.678 -13.119   2.887
  193    HB2  SER  27           HB2      SER  27  -4.204 -13.919   4.752
  194    HB3  SER  27           HB1      SER  27  -5.034 -14.934   3.578
  195    HG   SER  27           HG       SER  27  -3.262 -15.911   4.893
  196    H    GLY  28           HN       GLY  28  -2.450 -15.602   1.956
  197    HA2  GLY  28           HA2      GLY  28  -2.278 -16.821  -0.002
  198    HA3  GLY  28           HA1      GLY  28  -3.825 -16.136  -0.481
  199    H    ASP  29           HN       ASP  29  -3.156 -15.747  -2.640
  200    HA   ASP  29           HA       ASP  29  -0.979 -13.819  -2.854
  201    HB2  ASP  29           HB2      ASP  29  -1.025 -15.731  -4.492
  202    HB3  ASP  29           HB1      ASP  29  -2.512 -15.052  -5.159
  203    H    PHE  30           HN       PHE  30  -1.732 -12.018  -2.188
  204    HA   PHE  30           HA       PHE  30  -4.303 -11.016  -3.167
  205    HB2  PHE  30           HB2      PHE  30  -4.203  -9.425  -1.322
  206    HB3  PHE  30           HB1      PHE  30  -3.872 -11.040  -0.703
  207    HD1  PHE  30           HD2      PHE  30  -1.411 -11.669  -0.306
  208    HD2  PHE  30           HD1      PHE  30  -2.725  -7.668  -0.936
  209    HE1  PHE  30           HE2      PHE  30   0.669 -10.835   0.690
  210    HE2  PHE  30           HE1      PHE  30  -0.638  -6.824   0.059
  211    HZ   PHE  30           HZ       PHE  30   1.062  -8.414   0.873
  212    H    LEU  31           HN       LEU  31  -1.545 -11.100  -4.576
  213    HA   LEU  31           HA       LEU  31  -0.687  -8.403  -4.549
  214    HB2  LEU  31           HB2      LEU  31   0.164 -10.799  -6.119
  215    HB3  LEU  31           HB1      LEU  31   0.792  -9.202  -6.457
  216    HG   LEU  31           HG       LEU  31   2.389 -10.359  -5.129
  217   HD11  LEU  31          HD11      LEU  31   2.580  -8.915  -3.161
  218   HD12  LEU  31          HD12      LEU  31   0.937  -8.344  -3.441
  219   HD13  LEU  31          HD13      LEU  31   2.197  -8.027  -4.632
  220   HD21  LEU  31          HD21      LEU  31   1.916 -11.248  -2.894
  221   HD22  LEU  31          HD22      LEU  31   0.951 -12.070  -4.124
  222   HD23  LEU  31          HD23      LEU  31   0.207 -10.849  -3.092
  223    H    ASP  32           HN       ASP  32  -2.980 -10.109  -6.392
  224    HA   ASP  32           HA       ASP  32  -3.160  -7.763  -8.194
  225    HB2  ASP  32           HB2      ASP  32  -4.158 -10.584  -8.665
  226    HB3  ASP  32           HB1      ASP  32  -4.549  -9.217  -9.699
  227    H    LEU  33           HN       LEU  33  -4.292  -8.526  -5.435
  228    HA   LEU  33           HA       LEU  33  -7.132  -8.599  -5.905
  229    HB2  LEU  33           HB2      LEU  33  -5.938  -9.728  -3.978
  230    HB3  LEU  33           HB1      LEU  33  -5.632  -8.140  -3.322
  231    HG   LEU  33           HG       LEU  33  -8.048  -7.784  -3.057
  232   HD11  LEU  33          HD11      LEU  33  -8.281 -10.638  -4.028
  233   HD12  LEU  33          HD12      LEU  33  -8.846  -9.198  -4.873
  234   HD13  LEU  33          HD13      LEU  33  -9.588  -9.671  -3.348
  235   HD21  LEU  33          HD21      LEU  33  -6.743  -8.700  -1.212
  236   HD22  LEU  33          HD22      LEU  33  -7.002 -10.332  -1.819
  237   HD23  LEU  33          HD23      LEU  33  -8.365  -9.391  -1.222
  238    H    ARG  34           HN       ARG  34  -8.054  -6.845  -6.639
  239    HA   ARG  34           HA       ARG  34  -6.862  -4.325  -6.612
  240    HB2  ARG  34           HB2      ARG  34  -9.509  -5.310  -7.458
  241    HB3  ARG  34           HB1      ARG  34  -9.260  -3.577  -7.321
  242    HG2  ARG  34           HG2      ARG  34  -7.310  -3.800  -8.808
  243    HG3  ARG  34           HG1      ARG  34  -7.720  -5.506  -9.014
  244    HD2  ARG  34           HD2      ARG  34  -9.765  -4.994 -10.044
  245    HD3  ARG  34           HD1      ARG  34  -9.685  -3.308  -9.530
  246    HE   ARG  34           HE       ARG  34  -7.459  -3.649 -11.013
  247   HH11  ARG  34          HH11      ARG  34 -10.904  -4.242 -11.658
  248   HH12  ARG  34          HH12      ARG  34 -10.802  -3.822 -13.304
  249   HH21  ARG  34          HH21      ARG  34  -7.351  -2.965 -13.176
  250   HH22  ARG  34          HH22      ARG  34  -8.706  -3.029 -14.235
  251    H    PHE  35           HN       PHE  35  -6.956  -2.653  -5.411
  252    HA   PHE  35           HA       PHE  35  -7.960  -2.629  -2.794
  253    HB2  PHE  35           HB2      PHE  35  -7.305  -0.265  -4.553
  254    HB3  PHE  35           HB1      PHE  35  -7.477  -0.221  -2.806
  255    HD1  PHE  35           HD2      PHE  35  -5.885  -1.645  -1.430
  256    HD2  PHE  35           HD1      PHE  35  -5.256  -0.712  -5.538
  257    HE1  PHE  35           HE2      PHE  35  -3.511  -2.180  -1.189
  258    HE2  PHE  35           HE1      PHE  35  -2.870  -1.253  -5.288
  259    HZ   PHE  35           HZ       PHE  35  -1.985  -1.894  -3.133
  260    H    GLU  36           HN       GLU  36  -9.234  -1.308  -5.787
  261    HA   GLU  36           HA       GLU  36 -11.444   0.056  -4.719
  262    HB2  GLU  36           HB2      GLU  36 -12.371  -0.025  -7.007
  263    HB3  GLU  36           HB1      GLU  36 -10.703   0.509  -6.971
  264    HG2  GLU  36           HG2      GLU  36  -9.931  -1.565  -7.828
  265    HG3  GLU  36           HG1      GLU  36 -11.499  -2.326  -7.577
  266    H    ASP  37           HN       ASP  37 -10.902  -3.280  -5.319
  267    HA   ASP  37           HA       ASP  37 -13.692  -4.012  -5.413
  268    HB2  ASP  37           HB2      ASP  37 -11.955  -5.196  -6.760
  269    HB3  ASP  37           HB1      ASP  37 -11.213  -5.752  -5.268
  270    H    ILE  38           HN       ILE  38 -10.904  -4.371  -3.282
  271    HA   ILE  38           HA       ILE  38 -12.509  -5.691  -1.302
  272    HB   ILE  38           HB       ILE  38 -10.415  -5.976  -0.008
  273   HG12  ILE  38          HG12      ILE  38  -9.137  -4.629  -2.417
  274   HG13  ILE  38          HG11      ILE  38  -9.222  -3.968  -0.790
  275   HG21  ILE  38          HG21      ILE  38 -11.195  -7.658  -1.574
  276   HG22  ILE  38          HG22      ILE  38  -9.434  -7.585  -1.568
  277   HG23  ILE  38          HG23      ILE  38 -10.340  -6.857  -2.890
  278   HD11  ILE  38          HD11      ILE  38  -7.769  -5.753   0.018
  279   HD12  ILE  38          HD12      ILE  38  -7.004  -4.868  -1.299
  280   HD13  ILE  38          HD13      ILE  38  -7.715  -6.452  -1.598
  281    H    GLY  39           HN       GLY  39 -12.881  -2.793  -1.810
  282    HA2  GLY  39           HA2      GLY  39 -13.955  -1.294  -0.384
  283    HA3  GLY  39           HA1      GLY  39 -13.438  -2.277   0.968
  284    H    TYR  40           HN       TYR  40 -10.929  -1.129  -1.186
  285    HA   TYR  40           HA       TYR  40 -10.203   0.760   0.899
  286    HB2  TYR  40           HB2      TYR  40  -8.540  -0.191  -1.484
  287    HB3  TYR  40           HB1      TYR  40  -8.113   1.134  -0.446
  288    HD1  TYR  40           HD2      TYR  40  -9.211  -2.402   0.002
  289    HD2  TYR  40           HD1      TYR  40  -6.621   0.753   1.172
  290    HE1  TYR  40           HE2      TYR  40  -8.100  -3.912   1.582
  291    HE2  TYR  40           HE1      TYR  40  -5.503  -0.716   2.743
  292    HH   TYR  40           HH       TYR  40  -5.856  -2.790   3.937
  293    H    ASP  41           HN       ASP  41 -10.625   2.748   0.779
  294    HA   ASP  41           HA       ASP  41 -11.632   3.971  -1.667
  295    HB2  ASP  41           HB2      ASP  41 -11.052   5.265   1.012
  296    HB3  ASP  41           HB1      ASP  41 -12.005   5.940  -0.295
  297    H    SER  42           HN       SER  42 -10.628   6.212  -2.123
  298    HA   SER  42           HA       SER  42  -7.902   5.910  -2.568
  299    HB2  SER  42           HB2      SER  42  -8.321   8.597  -2.865
  300    HB3  SER  42           HB1      SER  42  -8.693   7.391  -4.101
  301    H    LEU  43           HN       LEU  43  -9.638   7.686  -0.037
  302    HA   LEU  43           HA       LEU  43  -7.465   8.737   1.381
  303    HB2  LEU  43           HB2      LEU  43 -10.099   7.680   2.399
  304    HB3  LEU  43           HB1      LEU  43  -8.938   8.474   3.423
  305    HG   LEU  43           HG       LEU  43 -10.303   9.775   1.063
  306   HD11  LEU  43          HD11      LEU  43 -11.580  10.976   2.762
  307   HD12  LEU  43          HD12      LEU  43 -10.814  10.008   4.022
  308   HD13  LEU  43          HD13      LEU  43 -11.883   9.244   2.841
  309   HD21  LEU  43          HD21      LEU  43  -8.607  10.913   3.282
  310   HD22  LEU  43          HD22      LEU  43  -9.409  11.834   2.001
  311   HD23  LEU  43          HD23      LEU  43  -8.105  10.714   1.600
  312    H    ALA  44           HN       ALA  44  -8.891   5.524   1.519
  313    HA   ALA  44           HA       ALA  44  -7.410   4.574   3.719
  314    HB1  ALA  44           HB1      ALA  44  -8.617   2.987   1.457
  315    HB2  ALA  44           HB2      ALA  44  -9.450   3.472   2.933
  316    HB3  ALA  44           HB3      ALA  44  -8.093   2.342   3.012
  317    H    LEU  45           HN       LEU  45  -6.683   4.720   0.295
  318    HA   LEU  45           HA       LEU  45  -4.406   3.025   0.367
  319    HB2  LEU  45           HB2      LEU  45  -5.759   4.151  -1.649
  320    HB3  LEU  45           HB1      LEU  45  -4.536   5.381  -1.484
  321    HG   LEU  45           HG       LEU  45  -3.726   4.064  -3.189
  322   HD11  LEU  45          HD11      LEU  45  -1.960   4.344  -1.600
  323   HD12  LEU  45          HD12      LEU  45  -1.820   2.787  -2.443
  324   HD13  LEU  45          HD13      LEU  45  -2.439   2.843  -0.788
  325   HD21  LEU  45          HD21      LEU  45  -4.484   1.604  -1.677
  326   HD22  LEU  45          HD22      LEU  45  -3.685   1.699  -3.257
  327   HD23  LEU  45          HD23      LEU  45  -5.332   2.315  -3.072
  328    H    MET  46           HN       MET  46  -4.907   6.514   0.694
  329    HA   MET  46           HA       MET  46  -2.261   7.491   0.931
  330    HB2  MET  46           HB2      MET  46  -4.562   8.490   2.603
  331    HB3  MET  46           HB1      MET  46  -3.166   9.395   2.058
  332    HG2  MET  46           HG2      MET  46  -4.016   9.241  -0.241
  333    HG3  MET  46           HG1      MET  46  -5.376   8.311   0.442
  334    HE1  MET  46           HE1      MET  46  -3.565  11.845   0.617
  335    HE2  MET  46           HE2      MET  46  -3.706  11.301   2.285
  336    HE3  MET  46           HE3      MET  46  -4.648  12.689   1.725
  337    H    GLU  47           HN       GLU  47  -4.594   6.475   3.250
  338    HA   GLU  47           HA       GLU  47  -3.263   6.871   5.633
  339    HB2  GLU  47           HB2      GLU  47  -5.669   6.358   4.809
  340    HB3  GLU  47           HB1      GLU  47  -5.238   4.689   5.143
  341    HG2  GLU  47           HG2      GLU  47  -5.124   6.905   7.177
  342    HG3  GLU  47           HG1      GLU  47  -6.472   5.795   7.000
  343    H    THR  48           HN       THR  48  -3.459   4.002   3.539
  344    HA   THR  48           HA       THR  48  -1.861   2.223   5.030
  345    HB   THR  48           HB       THR  48  -2.255   2.433   2.029
  346    HG1  THR  48           HG1      THR  48  -4.217   2.131   3.330
  347   HG21  THR  48          HG21      THR  48  -1.403   0.035   3.669
  348   HG22  THR  48          HG22      THR  48  -0.321   1.026   2.706
  349   HG23  THR  48          HG23      THR  48  -1.617   0.107   1.915
  350    H    ALA  49           HN       ALA  49  -1.074   4.265   2.204
  351    HA   ALA  49           HA       ALA  49   1.619   3.686   1.975
  352    HB1  ALA  49           HB1      ALA  49   1.772   5.705   0.598
  353    HB2  ALA  49           HB2      ALA  49   0.196   6.228   1.191
  354    HB3  ALA  49           HB3      ALA  49   0.331   4.766   0.217
  355    H    ALA  50           HN       ALA  50   0.038   6.363   3.692
  356    HA   ALA  50           HA       ALA  50   2.276   7.783   4.532
  357    HB1  ALA  50           HB1      ALA  50  -0.339   7.464   6.004
  358    HB2  ALA  50           HB2      ALA  50  -0.022   8.627   4.719
  359    HB3  ALA  50           HB3      ALA  50   0.835   8.756   6.255
  360    H    ARG  51           HN       ARG  51   0.728   5.012   5.967
  361    HA   ARG  51           HA       ARG  51   2.062   5.028   8.367
  362    HB2  ARG  51           HB2      ARG  51   0.081   3.666   8.099
  363    HB3  ARG  51           HB1      ARG  51   0.820   2.739   6.819
  364    HG2  ARG  51           HG2      ARG  51   0.723   1.316   8.686
  365    HG3  ARG  51           HG1      ARG  51   2.403   1.803   8.537
  366    HD2  ARG  51           HD2      ARG  51   1.420   1.690  10.787
  367    HD3  ARG  51           HD1      ARG  51   2.232   3.205  10.544
  368    HE   ARG  51           HE       ARG  51  -0.673   3.045  10.020
  369   HH11  ARG  51          HH11      ARG  51   1.862   4.179  12.238
  370   HH12  ARG  51          HH12      ARG  51   0.755   5.116  13.152
  371   HH21  ARG  51          HH21      ARG  51  -2.076   4.274  11.253
  372   HH22  ARG  51          HH22      ARG  51  -1.481   5.200  12.598
  373    H    LEU  52           HN       LEU  52   2.823   3.753   5.250
  374    HA   LEU  52           HA       LEU  52   5.209   2.361   6.068
  375    HB2  LEU  52           HB2      LEU  52   4.085   2.982   3.339
  376    HB3  LEU  52           HB1      LEU  52   5.553   2.057   3.618
  377    HG   LEU  52           HG       LEU  52   2.788   1.241   4.553
  378   HD11  LEU  52          HD11      LEU  52   2.945  -0.474   2.849
  379   HD12  LEU  52          HD12      LEU  52   4.466   0.217   2.283
  380   HD13  LEU  52          HD13      LEU  52   2.971   1.146   2.151
  381   HD21  LEU  52          HD21      LEU  52   4.601   0.459   6.013
  382   HD22  LEU  52          HD22      LEU  52   5.454  -0.178   4.616
  383   HD23  LEU  52          HD23      LEU  52   3.902  -0.873   5.096
  384    H    GLU  53           HN       GLU  53   4.402   5.344   4.380
  385    HA   GLU  53           HA       GLU  53   6.890   6.268   3.605
  386    HB2  GLU  53           HB2      GLU  53   4.541   7.854   4.655
  387    HB3  GLU  53           HB1      GLU  53   5.940   8.571   3.888
  388    HG2  GLU  53           HG2      GLU  53   5.390   7.393   1.812
  389    HG3  GLU  53           HG1      GLU  53   3.967   6.701   2.597
  390    H    SER  54           HN       SER  54   5.236   6.857   6.670
  391    HA   SER  54           HA       SER  54   7.342   8.468   7.726
  392    HB2  SER  54           HB2      SER  54   5.051   7.186   9.206
  393    HB3  SER  54           HB1      SER  54   5.916   8.664   9.630
  394    HG   SER  54           HG       SER  54   4.050   8.216   7.566
  395    H    ARG  55           HN       ARG  55   6.703   5.140   7.635
  396    HA   ARG  55           HA       ARG  55   8.115   4.436  10.065
  397    HB2  ARG  55           HB2      ARG  55   6.082   3.287   9.463
  398    HB3  ARG  55           HB1      ARG  55   6.754   2.832   7.918
  399    HG2  ARG  55           HG2      ARG  55   8.317   1.330   9.044
  400    HG3  ARG  55           HG1      ARG  55   7.652   1.822  10.608
  401    HD2  ARG  55           HD2      ARG  55   5.508   0.942  10.080
  402    HD3  ARG  55           HD1      ARG  55   5.955   0.701   8.395
  403    HE   ARG  55           HE       ARG  55   7.115  -0.843  10.629
  404   HH11  ARG  55          HH11      ARG  55   5.628  -0.709   7.401
  405   HH12  ARG  55          HH12      ARG  55   6.105  -2.281   6.975
  406   HH21  ARG  55          HH21      ARG  55   7.675  -3.027  10.065
  407   HH22  ARG  55          HH22      ARG  55   7.278  -3.588   8.489
  408    H    TYR  56           HN       TYR  56   8.677   4.379   6.591
  409    HA   TYR  56           HA       TYR  56  11.332   3.258   7.133
  410    HB2  TYR  56           HB2      TYR  56   9.636   3.055   4.665
  411    HB3  TYR  56           HB1      TYR  56  11.370   2.756   4.609
  412    HD1  TYR  56           HD1      TYR  56  12.345   0.864   5.760
  413    HD2  TYR  56           HD2      TYR  56   8.145   1.499   5.784
  414    HE1  TYR  56           HE1      TYR  56  12.018  -1.426   6.565
  415    HE2  TYR  56           HE2      TYR  56   7.793  -0.787   6.580
  416    HH   TYR  56           HH       TYR  56   8.911  -2.939   6.759
  417    H    GLY  57           HN       GLY  57   9.791   6.098   5.953
  418    HA2  GLY  57           HA2      GLY  57  10.934   8.116   5.766
  419    HA3  GLY  57           HA1      GLY  57  12.444   7.232   5.546
  420    H    VAL  58           HN       VAL  58   9.334   6.917   3.928
  421    HA   VAL  58           HA       VAL  58  10.647   7.655   1.421
  422    HB   VAL  58           HB       VAL  58   9.327   6.019   0.169
  423   HG11  VAL  58          HG11      VAL  58  11.454   5.221   1.000
  424   HG12  VAL  58          HG12      VAL  58  10.259   3.915   1.007
  425   HG13  VAL  58          HG13      VAL  58  10.672   4.745   2.512
  426   HG21  VAL  58          HG21      VAL  58   7.915   4.339   1.277
  427   HG22  VAL  58          HG22      VAL  58   7.311   5.974   1.545
  428   HG23  VAL  58          HG23      VAL  58   8.188   5.137   2.828
  429    H    SER  59           HN       SER  59   8.660   8.077  -0.271
  430    HA   SER  59           HA       SER  59   6.379   9.081   1.091
  431    HB2  SER  59           HB2      SER  59   8.095  10.944   1.243
  432    HB3  SER  59           HB1      SER  59   8.034  11.040  -0.518
  433    HG   SER  59           HG       SER  59   5.585  11.069   0.785
  434    H    ILE  60           HN       ILE  60   4.672   9.125  -0.193
  435    HA   ILE  60           HA       ILE  60   5.037   8.733  -3.072
  436    HB   ILE  60           HB       ILE  60   2.953   7.395  -1.304
  437   HG12  ILE  60          HG12      ILE  60   5.167   6.174  -2.969
  438   HG13  ILE  60          HG11      ILE  60   5.118   6.242  -1.217
  439   HG21  ILE  60          HG21      ILE  60   3.255   7.266  -4.305
  440   HG22  ILE  60          HG22      ILE  60   1.963   8.085  -3.420
  441   HG23  ILE  60          HG23      ILE  60   2.110   6.327  -3.348
  442   HD11  ILE  60          HD11      ILE  60   3.157   4.800  -1.205
  443   HD12  ILE  60          HD12      ILE  60   4.511   4.041  -2.039
  444   HD13  ILE  60          HD13      ILE  60   3.187   4.750  -2.967
  445    HA   PRO  61           HA       PRO  61   2.594  12.504  -2.939
  446    HB2  PRO  61           HB2      PRO  61   2.184  11.637  -5.765
  447    HB3  PRO  61           HB1      PRO  61   2.649  13.226  -5.142
  448    HG2  PRO  61           HG2      PRO  61   4.474  11.685  -6.276
  449    HG3  PRO  61           HG1      PRO  61   4.861  12.587  -4.792
  450    HD2  PRO  61           HD2      PRO  61   4.231   9.688  -5.134
  451    HD3  PRO  61           HD1      PRO  61   5.433  10.459  -4.074
  452    H    ASP  62           HN       ASP  62   0.487  12.811  -2.656
  453    HA   ASP  62           HA       ASP  62  -1.233  10.853  -1.872
  454    HB2  ASP  62           HB2      ASP  62  -2.044  13.527  -3.032
  455    HB3  ASP  62           HB1      ASP  62  -3.036  12.518  -1.986
  456    H    ASP  63           HN       ASP  63  -1.182  12.397  -5.040
  457    HA   ASP  63           HA       ASP  63  -3.443  11.109  -6.148
  458    HB2  ASP  63           HB2      ASP  63  -2.533  13.108  -7.144
  459    HB3  ASP  63           HB1      ASP  63  -1.021  12.281  -7.498
  460    H    VAL  64           HN       VAL  64  -0.109  10.115  -5.894
  461    HA   VAL  64           HA       VAL  64  -0.311   8.149  -7.937
  462    HB   VAL  64           HB       VAL  64   1.954   8.551  -5.951
  463   HG11  VAL  64          HG11      VAL  64   3.357   7.398  -7.605
  464   HG12  VAL  64          HG12      VAL  64   1.932   7.097  -8.595
  465   HG13  VAL  64          HG13      VAL  64   2.071   6.348  -7.004
  466   HG21  VAL  64          HG21      VAL  64   1.529  10.563  -7.256
  467   HG22  VAL  64          HG22      VAL  64   1.656   9.632  -8.754
  468   HG23  VAL  64          HG23      VAL  64   3.061   9.824  -7.706
  469    H    ALA  65           HN       ALA  65  -1.122   8.159  -4.626
  470    HA   ALA  65           HA       ALA  65  -0.715   5.432  -4.059
  471    HB1  ALA  65           HB1      ALA  65  -0.988   7.111  -2.297
  472    HB2  ALA  65           HB2      ALA  65  -2.263   5.893  -2.188
  473    HB3  ALA  65           HB3      ALA  65  -2.611   7.475  -2.884
  474    H    GLY  66           HN       GLY  66  -3.468   7.384  -5.100
  475    HA2  GLY  66           HA2      GLY  66  -5.009   4.970  -5.665
  476    HA3  GLY  66           HA1      GLY  66  -5.622   6.621  -5.708
  477    H    ARG  67           HN       ARG  67  -2.730   5.287  -7.192
  478    HA   ARG  67           HA       ARG  67  -3.832   5.798  -9.840
  479    HB2  ARG  67           HB2      ARG  67  -2.412   7.628  -8.979
  480    HB3  ARG  67           HB1      ARG  67  -1.113   6.490  -8.733
  481    HG2  ARG  67           HG2      ARG  67  -0.840   6.207 -11.049
  482    HG3  ARG  67           HG1      ARG  67  -2.299   7.174 -11.380
  483    HD2  ARG  67           HD2      ARG  67  -1.273   9.135 -10.382
  484    HD3  ARG  67           HD1      ARG  67   0.140   8.200  -9.923
  485    HE   ARG  67           HE       ARG  67   0.264   7.896 -12.519
  486   HH11  ARG  67          HH11      ARG  67  -0.629  10.900 -10.794
  487   HH12  ARG  67          HH12      ARG  67   0.206  11.907 -11.893
  488   HH21  ARG  67          HH21      ARG  67   1.358   9.252 -13.956
  489   HH22  ARG  67          HH22      ARG  67   1.355  10.935 -13.812
  490    H    VAL  68           HN       VAL  68  -3.032   3.497  -7.806
  491    HA   VAL  68           HA       VAL  68  -1.588   1.896  -9.770
  492    HB   VAL  68           HB       VAL  68  -1.039   0.279  -7.953
  493   HG11  VAL  68          HG11      VAL  68   0.618   1.605  -6.805
  494   HG12  VAL  68          HG12      VAL  68  -0.145   3.091  -7.392
  495   HG13  VAL  68          HG13      VAL  68   0.594   1.964  -8.532
  496   HG21  VAL  68          HG21      VAL  68  -2.291   2.343  -6.145
  497   HG22  VAL  68          HG22      VAL  68  -1.286   1.004  -5.598
  498   HG23  VAL  68          HG23      VAL  68  -2.835   0.675  -6.385
  499    H    ASP  69           HN       ASP  69  -2.262  -0.555  -9.584
  500    HA   ASP  69           HA       ASP  69  -5.216  -0.621  -9.582
  501    HB2  ASP  69           HB2      ASP  69  -3.956  -1.101 -11.748
  502    HB3  ASP  69           HB1      ASP  69  -3.271  -2.497 -10.954
  503    H    THR  70           HN       THR  70  -2.357  -2.626  -9.053
  504    HA   THR  70           HA       THR  70  -3.844  -4.178  -7.061
  505    HB   THR  70           HB       THR  70  -2.342  -6.028  -7.666
  506    HG1  THR  70           HG1      THR  70  -1.315  -4.104  -9.532
  507   HG21  THR  70          HG21      THR  70  -3.668  -4.723 -10.040
  508   HG22  THR  70          HG22      THR  70  -4.467  -5.752  -8.855
  509   HG23  THR  70          HG23      THR  70  -3.226  -6.432  -9.923
  510    HA   PRO  71           HA       PRO  71  -1.077  -3.148  -3.740
  511    HB2  PRO  71           HB2      PRO  71  -0.704  -6.085  -3.349
  512    HB3  PRO  71           HB1      PRO  71  -1.162  -4.839  -2.175
  513    HG2  PRO  71           HG2      PRO  71  -3.014  -6.446  -3.126
  514    HG3  PRO  71           HG1      PRO  71  -3.343  -4.702  -2.995
  515    HD2  PRO  71           HD2      PRO  71  -2.617  -6.318  -5.411
  516    HD3  PRO  71           HD1      PRO  71  -3.856  -5.055  -5.235
  517    H    ARG  72           HN       ARG  72   0.087  -5.478  -6.108
  518    HA   ARG  72           HA       ARG  72   2.765  -5.532  -5.198
  519    HB2  ARG  72           HB2      ARG  72   3.352  -6.578  -7.323
  520    HB3  ARG  72           HB1      ARG  72   1.840  -7.258  -6.754
  521    HG2  ARG  72           HG2      ARG  72   0.613  -5.879  -8.340
  522    HG3  ARG  72           HG1      ARG  72   2.128  -5.156  -8.891
  523    HD2  ARG  72           HD2      ARG  72   1.591  -6.839 -10.479
  524    HD3  ARG  72           HD1      ARG  72   2.880  -7.496  -9.481
  525    HE   ARG  72           HE       ARG  72   0.040  -8.204  -9.247
  526   HH11  ARG  72          HH11      ARG  72   3.462  -9.119  -8.832
  527   HH12  ARG  72          HH12      ARG  72   3.125 -10.778  -8.622
  528   HH21  ARG  72          HH21      ARG  72  -0.356 -10.583  -9.065
  529   HH22  ARG  72          HH22      ARG  72   0.932 -11.615  -8.739
  530    H    GLU  73           HN       GLU  73   0.988  -3.295  -7.118
  531    HA   GLU  73           HA       GLU  73   3.267  -1.908  -8.179
  532    HB2  GLU  73           HB2      GLU  73   0.345  -1.193  -8.062
  533    HB3  GLU  73           HB1      GLU  73   1.570  -0.299  -8.959
  534    HG2  GLU  73           HG2      GLU  73   1.890  -2.045 -10.466
  535    HG3  GLU  73           HG1      GLU  73   1.045  -3.202  -9.437
  536    H    LEU  74           HN       LEU  74   1.082  -1.573  -5.473
  537    HA   LEU  74           HA       LEU  74   1.767   1.017  -4.538
  538    HB2  LEU  74           HB2      LEU  74  -0.102  -0.596  -3.790
  539    HB3  LEU  74           HB1      LEU  74   1.174  -1.373  -2.841
  540    HG   LEU  74           HG       LEU  74   0.172   1.490  -2.434
  541   HD11  LEU  74          HD11      LEU  74  -1.524  -0.142  -1.864
  542   HD12  LEU  74          HD12      LEU  74  -0.901   0.683  -0.438
  543   HD13  LEU  74          HD13      LEU  74  -0.379  -0.966  -0.808
  544   HD21  LEU  74          HD21      LEU  74   1.409   1.452  -0.344
  545   HD22  LEU  74          HD22      LEU  74   2.499   1.149  -1.704
  546   HD23  LEU  74          HD23      LEU  74   1.970  -0.188  -0.684
  547    H    LEU  75           HN       LEU  75   2.924  -2.239  -3.775
  548    HA   LEU  75           HA       LEU  75   4.910  -1.615  -1.945
  549    HB2  LEU  75           HB2      LEU  75   3.910  -3.780  -2.226
  550    HB3  LEU  75           HB1      LEU  75   4.518  -3.885  -3.862
  551    HG   LEU  75           HG       LEU  75   6.777  -3.806  -2.935
  552   HD11  LEU  75          HD11      LEU  75   7.083  -4.465  -0.558
  553   HD12  LEU  75          HD12      LEU  75   5.348  -4.272  -0.309
  554   HD13  LEU  75          HD13      LEU  75   6.336  -2.874  -0.729
  555   HD21  LEU  75          HD21      LEU  75   5.000  -6.093  -2.171
  556   HD22  LEU  75          HD22      LEU  75   6.766  -6.193  -2.336
  557   HD23  LEU  75          HD23      LEU  75   5.747  -5.778  -3.733
  558    H    ASP  76           HN       ASP  76   4.883  -1.773  -5.436
  559    HA   ASP  76           HA       ASP  76   7.671  -1.661  -5.944
  560    HB2  ASP  76           HB2      ASP  76   6.098  -2.355  -7.680
  561    HB3  ASP  76           HB1      ASP  76   5.334  -0.770  -7.644
  562    H    LEU  77           HN       LEU  77   5.218   0.743  -5.404
  563    HA   LEU  77           HA       LEU  77   6.791   3.017  -6.063
  564    HB2  LEU  77           HB2      LEU  77   4.395   2.737  -4.276
  565    HB3  LEU  77           HB1      LEU  77   5.077   4.259  -4.806
  566    HG   LEU  77           HG       LEU  77   3.827   2.159  -6.543
  567   HD11  LEU  77          HD11      LEU  77   2.011   3.779  -6.833
  568   HD12  LEU  77          HD12      LEU  77   2.834   4.896  -5.738
  569   HD13  LEU  77          HD13      LEU  77   2.225   3.352  -5.133
  570   HD21  LEU  77          HD21      LEU  77   5.576   3.360  -7.743
  571   HD22  LEU  77          HD22      LEU  77   4.881   4.903  -7.255
  572   HD23  LEU  77          HD23      LEU  77   3.988   3.843  -8.339
  573    H    ILE  78           HN       ILE  78   6.002   1.335  -3.083
  574    HA   ILE  78           HA       ILE  78   7.287   3.035  -1.296
  575    HB   ILE  78           HB       ILE  78   6.852   0.040  -1.049
  576   HG12  ILE  78          HG12      ILE  78   4.803   1.392  -1.338
  577   HG13  ILE  78          HG11      ILE  78   4.871   0.619   0.247
  578   HG21  ILE  78          HG21      ILE  78   8.582   0.738   0.511
  579   HG22  ILE  78          HG22      ILE  78   7.091   0.414   1.401
  580   HG23  ILE  78          HG23      ILE  78   7.573   2.070   1.064
  581   HD11  ILE  78          HD11      ILE  78   4.032   2.894   0.402
  582   HD12  ILE  78          HD12      ILE  78   5.503   3.507  -0.348
  583   HD13  ILE  78          HD13      ILE  78   5.574   2.728   1.236
  584    H    ASN  79           HN       ASN  79   8.466  -0.124  -2.502
  585    HA   ASN  79           HA       ASN  79  11.085   0.271  -1.547
  586    HB2  ASN  79           HB2      ASN  79  10.053  -1.642  -3.643
  587    HB3  ASN  79           HB1      ASN  79  11.743  -1.593  -3.152
  588   HD21  ASN  79          HD21      ASN  79  10.052  -3.815  -2.910
  589   HD22  ASN  79          HD22      ASN  79   9.848  -4.167  -1.237
  590    H    GLY  80           HN       GLY  80   9.570   1.233  -4.516
  591    HA2  GLY  80           HA2      GLY  80  11.886   1.861  -5.978
  592    HA3  GLY  80           HA1      GLY  80  10.293   2.581  -6.197
  593    H    ALA  81           HN       ALA  81   9.932   3.771  -3.721
  594    HA   ALA  81           HA       ALA  81  11.578   6.095  -3.956
  595    HB1  ALA  81           HB1      ALA  81  10.258   6.952  -2.073
  596    HB2  ALA  81           HB2      ALA  81   9.567   5.347  -1.824
  597    HB3  ALA  81           HB3      ALA  81   9.219   6.239  -3.305
  598    H    LEU  82           HN       LEU  82  11.549   3.217  -1.953
  599    HA   LEU  82           HA       LEU  82  13.298   4.139   0.033
  600    HB2  LEU  82           HB2      LEU  82  11.781   2.247   0.334
  601    HB3  LEU  82           HB1      LEU  82  12.619   1.355  -0.912
  602    HG   LEU  82           HG       LEU  82  14.607   1.346   0.439
  603   HD11  LEU  82          HD11      LEU  82  14.485   1.950   2.853
  604   HD12  LEU  82          HD12      LEU  82  12.855   2.566   2.584
  605   HD13  LEU  82          HD13      LEU  82  14.232   3.345   1.803
  606   HD21  LEU  82          HD21      LEU  82  13.827  -0.301   2.107
  607   HD22  LEU  82          HD22      LEU  82  13.116  -0.555   0.512
  608   HD23  LEU  82          HD23      LEU  82  12.171   0.208   1.789
  609    H    ALA  83           HN       ALA  83  13.733   2.701  -3.126
  610    HA   ALA  83           HA       ALA  83  16.477   2.090  -2.966
  611    HB1  ALA  83           HB1      ALA  83  16.440   2.084  -5.405
  612    HB2  ALA  83           HB2      ALA  83  14.885   2.920  -5.390
  613    HB3  ALA  83           HB3      ALA  83  15.003   1.274  -4.767
  614    H    GLU  84           HN       GLU  84  14.776   5.104  -3.416
  615    HA   GLU  84           HA       GLU  84  17.014   6.572  -4.363
  616    HB2  GLU  84           HB2      GLU  84  14.381   7.476  -3.203
  617    HB3  GLU  84           HB1      GLU  84  15.524   8.444  -4.123
  618    HG2  GLU  84           HG2      GLU  84  13.940   6.106  -5.165
  619    HG3  GLU  84           HG1      GLU  84  13.609   7.805  -5.474
  620    H    ALA  85           HN       ALA  85  16.038   5.344  -1.376
  621    HA   ALA  85           HA       ALA  85  17.384   7.437   0.146
  622    HB1  ALA  85           HB1      ALA  85  16.407   6.375   2.124
  623    HB2  ALA  85           HB2      ALA  85  15.709   5.114   1.104
  624    HB3  ALA  85           HB3      ALA  85  15.161   6.783   0.945
  625    H    ALA  86           HN       ALA  86  17.667   4.156  -0.924
  626    HA   ALA  86           HA       ALA  86  20.039   3.796   0.737
  627    HB1  ALA  86           HB1      ALA  86  18.423   1.746  -0.791
  628    HB2  ALA  86           HB2      ALA  86  18.330   2.034   0.948
  629    HB3  ALA  86           HB3      ALA  86  19.814   1.400   0.236
  630   H28A  SDO 101          H28A      SDO  42 -10.580  11.783  -1.233
  631   H28B  SDO 101          H28B      SDO  42  -9.321  11.010  -0.261
  632   H30A  SDO 101          H30A      SDO  42  -9.430  13.915  -0.509
  633   H30B  SDO 101          H30B      SDO  42  -7.756  14.229  -0.977
  634   H30C  SDO 101          H30C      SDO  42  -8.117  13.022   0.255
  635   H31A  SDO 101          H31A      SDO  42  -6.873  11.312  -0.975
  636   H31B  SDO 101          H31B      SDO  42  -6.477  12.440  -2.273
  637   H31C  SDO 101          H31C      SDO  42  -7.277  10.916  -2.642
  638   H32A  SDO 101          H32A      SDO  42  -9.133  12.233  -3.875
  639   H33A  SDO 101          H33A      SDO  42  -8.515  14.679  -3.906
  640   H36A  SDO 101          H36A      SDO  42 -11.167  12.637  -1.817
  641   H37A  SDO 101          H37A      SDO  42 -12.838  14.636  -3.081
  642   H37B  SDO 101          H37B      SDO  42 -13.311  13.437  -1.873
  643   H38A  SDO 101          H38A      SDO  42 -11.704  15.938  -1.387
  644   H38B  SDO 101          H38B      SDO  42 -13.395  15.689  -0.925
  645   H41A  SDO 101          H41A      SDO  42 -11.115  16.451   0.578
  646   H42A  SDO 101          H42A      SDO  42 -11.429  15.553   3.015
  647   H42B  SDO 101          H42B      SDO  42 -10.373  14.279   2.352
  648   H43A  SDO 101          H43A      SDO  42  -9.816  17.213   2.239
  649   H43B  SDO 101          H43B      SDO  42  -8.647  15.935   1.935
  650    H1A  SDO 101           H1A      SDO  42  -9.030  14.848   6.030
  651    H1B  SDO 101           H1B      SDO  42 -10.107  16.205   6.251
  652    H2A  SDO 101           H2A      SDO  42 -10.560  13.912   4.390
  653    H2B  SDO 101           H2B      SDO  42 -11.651  15.240   4.661
  654    H4A  SDO 101           H4A      SDO  42 -11.270  12.705   8.073
  655    H4B  SDO 101           H4B      SDO  42 -12.318  14.077   8.286
  656    H5A  SDO 101           H5A      SDO  42 -10.434  15.607   8.111
  657    H5B  SDO 101           H5B      SDO  42  -9.350  14.228   7.924
  658    H6A  SDO 101           H6A      SDO  42  -9.979  13.393  10.105
  659    H6B  SDO 101           H6B      SDO  42 -11.142  14.694  10.303
  660    H8A  SDO 101           H8A      SDO  42  -8.629  17.222   9.699
  661    H8B  SDO 101           H8B      SDO  42  -8.355  15.862   8.601
  662    H8C  SDO 101           H8C      SDO  42  -7.235  16.155   9.936